#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krq s TRP 2 N 0.00 2.50 0.08 1.43 0.23 -1.26 -5.02 118.94 116.91 3krq s TRP 2 Ca 0.00 1.54 -0.07 0.00 -2.03 0.00 0.00 56.10 55.55 3krq s TRP 2 Cb 0.00 -3.34 -0.05 0.00 0.03 0.00 0.00 33.47 30.10 3krq s TRP 2 CO 0.00 -1.92 0.35 -1.21 0.96 0.00 0.00 176.95 175.13 3krq s GLU 3 N -3.55 3.64 0.01 4.98 8.01 -1.26 -5.04 118.70 125.49 3krq s GLU 3 Ca 0.73 -0.02 -0.07 0.00 0.01 0.00 0.00 54.97 55.63 3krq s GLU 3 Cb -0.26 -2.96 -0.30 0.00 -4.31 0.00 0.00 34.13 26.30 3krq s GLU 3 CO 0.34 0.55 0.87 -0.24 0.01 0.00 0.00 175.26 176.80 3krq h VAL 4 N 2.57 1.17 0.00 2.63 3.04 -2.11 -3.49 116.25 120.05 3krq h VAL 4 Ca -0.48 -2.76 0.00 0.00 -1.01 0.00 0.00 66.70 62.45 3krq h VAL 4 Cb 1.18 2.82 0.00 0.00 -2.01 0.00 0.00 31.29 33.28 3krq h VAL 4 CO 0.69 0.83 0.00 0.61 -1.01 0.00 0.00 177.57 178.69 3krq n GLY 5 N 1.70 1.02 3.64 3.17 0.00 -1.26 -5.17 105.19 108.29 3krq n GLY 5 Ca -0.17 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 3krq n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krq n GLY 7 N 3.47 3.68 0.00 0.00 0.00 -1.26 -4.99 105.19 106.10 3krq n GLY 7 Ca -0.17 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.54 3krq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krq n ALA 8 N 1.99 0.00 -1.65 4.61 0.00 -1.26 -5.01 120.51 119.19 3krq n ALA 8 Ca 0.23 0.00 -0.62 0.00 0.00 0.00 0.00 53.44 53.05 3krq n ALA 8 Cb 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 3krq n ALA 8 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3krq n PRO 9 N 0.00 0.52 0.00 0.00 -0.02 -1.26 -4.72 135.00 129.52 3krq n PRO 9 Ca 0.00 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3krq n PRO 9 Cb 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3krq n PRO 9 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3krq n VAL 10 N 4.77 0.00 -1.54 -1.45 3.14 -1.26 -5.02 118.33 116.97 3krq n VAL 10 Ca 0.33 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.32 3krq n VAL 10 Cb 0.03 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.77 3krq n VAL 10 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3krq n PRO 11 N 0.00 1.03 -1.67 1.45 -0.02 -1.26 -4.90 135.00 129.63 3krq n PRO 11 Ca 0.00 0.08 -0.39 0.00 -2.02 0.00 0.00 63.50 61.18 3krq n PRO 11 Cb 0.00 -3.11 0.04 0.00 -0.02 0.00 0.00 33.50 30.41 3krq n PRO 11 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3krq n LEU 12 N 14.31 4.32 -4.88 2.45 4.77 -1.26 -5.02 117.00 131.69 3krq n LEU 12 Ca 0.40 0.92 -0.32 0.00 -0.03 0.00 0.00 56.01 56.98 3krq n LEU 12 Cb 0.45 -1.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.02 3krq n LEU 12 CO 0.74 -1.22 0.11 0.68 -1.33 0.00 0.00 177.39 176.36 3krq s VAL 13 N -1.37 5.06 0.73 4.08 -7.23 -1.26 -5.10 120.40 115.31 3krq s VAL 13 Ca 0.72 0.28 -0.10 0.00 -1.81 0.00 0.00 61.98 61.07 3krq s VAL 13 Cb -0.44 -3.63 0.04 0.00 0.56 0.00 0.00 36.38 32.91 3krq s VAL 13 CO 0.50 0.05 1.09 -0.75 -0.31 0.00 0.00 175.10 175.67 3krq s LYS 14 N -2.56 2.48 -0.07 4.82 2.20 -1.26 -5.08 119.74 120.26 3krq s LYS 14 Ca 0.42 0.19 0.04 0.00 -0.36 0.00 0.00 55.97 56.25 3krq s LYS 14 Cb -0.12 -2.05 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 3krq s LYS 14 CO 0.22 -1.21 -0.19 0.00 -0.36 0.00 0.00 175.35 173.81 3krq h ASP 16 N 6.66 0.70 -3.05 0.00 3.32 -1.98 -3.46 116.42 118.62 3krq h ASP 16 Ca -0.26 -0.09 -0.20 0.00 0.02 0.00 0.00 57.03 56.50 3krq h ASP 16 Cb 1.20 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 3krq h ASP 16 CO 0.47 0.64 -0.23 1.21 -1.72 0.00 0.00 179.24 179.61 3krq n GLU 17 N -4.34 -1.91 0.00 3.56 2.13 -1.26 -4.35 120.64 114.47 3krq n GLU 17 Ca 0.04 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.39 3krq n GLU 17 Cb 0.16 -4.95 0.00 0.00 0.27 0.00 0.00 31.44 26.92 3krq n GLU 17 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3krq n ASN 18 N -1.11 0.00 -4.69 4.31 3.02 -1.26 -5.06 115.26 110.47 3krq n ASN 18 Ca -0.11 -0.62 -0.42 0.00 -0.03 0.00 0.00 54.58 53.40 3krq n ASN 18 Cb 0.49 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 3krq n ASN 18 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3krq s SER 19 N 0.00 7.13 0.16 6.41 0.01 -1.26 -4.92 113.70 121.22 3krq s SER 19 Ca 0.00 1.39 -0.17 0.00 1.31 0.00 0.00 55.95 58.47 3krq s SER 19 Cb 0.00 -2.51 0.07 0.00 0.21 0.00 0.00 66.02 63.79 3krq s SER 19 CO 0.00 -0.38 1.69 -0.65 0.41 0.00 0.00 173.24 174.30 3krq h PRO 20 N 7.12 0.03 -6.24 12.44 0.11 -1.99 -3.45 132.00 140.02 3krq h PRO 20 Ca -0.32 -0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.19 3krq h PRO 20 Cb 1.15 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 3krq h PRO 20 CO 0.83 0.02 -0.60 0.71 -0.21 0.00 0.00 178.00 178.75 3krq s TYR 21 N -6.20 3.08 0.73 0.65 1.51 -1.26 -5.07 117.35 110.78 3krq s TYR 21 Ca -0.14 -0.03 -0.15 0.00 -1.01 0.00 0.00 57.07 55.74 3krq s TYR 21 Cb 0.13 -1.51 0.04 0.00 -0.11 0.00 0.00 41.96 40.51 3krq s TYR 21 CO 0.70 0.52 1.23 1.03 -1.11 0.00 0.00 175.55 177.92 3krq s ARG 22 N -2.88 2.12 0.87 -0.62 0.52 -1.26 -5.00 118.95 112.69 3krq s ARG 22 Ca 0.29 1.85 -0.13 0.00 -0.52 0.00 0.00 55.73 57.23 3krq s ARG 22 Cb -0.10 -1.82 0.12 0.00 0.52 0.00 0.00 34.95 33.66 3krq s ARG 22 CO 0.22 -1.87 1.18 0.95 0.02 0.00 0.00 175.30 175.79 3krq s THR 23 N -1.86 1.99 0.08 0.02 -4.23 -1.26 -4.97 115.64 105.41 3krq s THR 23 Ca 0.76 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.18 3krq s THR 23 Cb -0.31 -2.89 -0.26 0.00 1.34 0.00 0.00 72.50 70.37 3krq s THR 23 CO 0.45 0.00 1.16 0.40 -0.54 0.00 0.00 174.62 176.09 3krq h ILE 24 N -1.32 1.37 -0.00 2.99 1.08 -1.92 -3.28 117.51 116.42 3krq h ILE 24 Ca -0.48 -2.62 0.00 0.00 -0.39 0.00 0.00 64.86 61.38 3krq h ILE 24 Cb 1.32 2.70 0.00 0.00 -3.07 0.00 0.00 36.82 37.77 3krq h ILE 24 CO 0.61 0.78 -0.00 0.35 -0.69 0.00 0.00 178.15 179.20 3krq n THR 25 N -3.71 0.00 0.00 -0.27 -2.24 -1.26 -4.52 114.28 102.28 3krq n THR 25 Ca -0.11 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3krq n THR 25 Cb 0.96 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3krq n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krq n GLY 26 N 1.06 3.03 3.64 3.38 0.00 -1.24 -1.29 105.19 113.77 3krq n GLY 26 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3krq n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3krq n ASP 27 N 0.00 0.36 0.00 1.61 8.00 -1.26 -3.56 116.55 121.71 3krq n ASP 27 Ca 0.00 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.01 3krq n ASP 27 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.65 3krq n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3krq h ASN 29 N 0.00 0.30 -3.68 0.00 -0.73 -1.73 -3.40 115.58 106.33 3krq h ASN 29 Ca 0.00 -0.68 -0.65 0.00 1.87 0.00 0.00 56.30 56.84 3krq h ASN 29 Cb 0.45 -0.09 -0.16 0.00 0.27 0.00 0.00 38.32 38.79 3krq h ASN 29 CO 0.00 0.94 -0.25 0.21 -0.37 0.00 0.00 177.43 177.95 3krq s ASN 30 N -6.30 6.21 0.27 1.15 3.84 -1.26 -4.57 114.94 114.27 3krq s ASN 30 Ca -0.15 -0.06 -0.04 0.00 0.21 0.00 0.00 52.86 52.82 3krq s ASN 30 Cb 0.02 -2.21 0.33 0.00 -0.55 0.00 0.00 41.25 38.85 3krq s ASN 30 CO 0.75 -0.30 1.89 0.03 -2.79 0.00 0.00 177.10 176.68 3krq h ARG 31 N 8.38 1.12 0.00 0.43 3.08 -1.94 -2.76 114.38 122.69 3krq h ARG 31 Ca -0.30 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3krq h ARG 31 Cb 1.15 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.97 3krq h ARG 31 CO 0.68 0.82 -0.32 0.54 -1.07 0.00 0.00 179.97 180.62 3krq n ARG 32 N -4.35 0.02 -2.99 0.04 1.74 -1.26 -4.41 116.66 105.45 3krq n ARG 32 Ca 0.09 0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 57.03 3krq n ARG 32 Cb 0.09 -1.52 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 3krq n ARG 32 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3krq n SER 33 N -1.56 -1.90 -0.26 0.55 2.88 -1.16 -5.05 113.62 107.13 3krq n SER 33 Ca 0.06 -2.86 0.07 0.00 -1.33 0.00 0.00 58.87 54.81 3krq n SER 33 Cb 0.35 0.77 0.20 0.00 -0.75 0.00 0.00 64.21 64.77 3krq n SER 33 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3krq h PRO 34 N 4.65 0.25 0.00 -1.46 0.11 -1.70 -2.60 132.00 131.26 3krq h PRO 34 Ca 0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3krq h PRO 34 Cb 1.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3krq h PRO 34 CO 0.27 0.17 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 3krq n ALA 35 N -2.68 2.11 -1.54 -0.75 0.00 -1.26 -1.74 120.51 114.65 3krq n ALA 35 Ca 0.15 -0.01 -0.47 0.00 0.00 0.00 0.00 53.44 53.11 3krq n ALA 35 Cb 0.49 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 3krq n ALA 35 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3krq n LEU 36 N -2.12 2.81 0.00 0.00 4.77 -0.98 -1.16 117.00 120.33 3krq n LEU 36 Ca 0.05 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3krq n LEU 36 Cb 0.36 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 3krq n LEU 36 CO 0.27 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.33 3krq n GLY 37 N 5.91 0.21 3.79 -0.72 0.00 -1.26 -4.64 105.19 108.47 3krq n GLY 37 Ca 0.34 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 3krq n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krq s ALA 38 N -2.05 3.14 0.97 4.61 0.00 -0.31 -1.24 121.76 126.88 3krq s ALA 38 Ca 0.00 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 52.39 3krq s ALA 38 Cb 0.00 -3.20 0.10 0.00 0.00 0.00 0.00 23.12 20.02 3krq s ALA 38 CO 0.00 0.06 0.68 0.00 0.00 0.00 0.00 175.76 176.49 3krq n ALA 39 N 0.14 -2.12 -3.07 0.00 0.00 -0.42 -3.73 120.51 111.31 3krq n ALA 39 Ca 0.04 -0.68 -0.22 0.00 0.00 0.00 0.00 53.44 52.57 3krq n ALA 39 Cb 0.51 -1.93 0.02 0.00 0.00 0.00 0.00 19.45 18.04 3krq n ALA 39 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3krq n ASN 40 N -2.63 -5.16 -4.46 0.00 3.02 0.21 -4.94 115.26 101.30 3krq n ASN 40 Ca 0.08 -0.28 -0.22 0.00 -0.03 0.00 0.00 54.58 54.13 3krq n ASN 40 Cb 0.54 -4.21 -0.11 0.00 -0.61 0.00 0.00 39.78 35.39 3krq n ASN 40 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3krq s ARG 41 N -5.74 1.64 0.43 3.52 6.06 -1.20 -4.88 118.95 118.79 3krq s ARG 41 Ca 0.30 -1.88 -0.26 0.00 -2.50 0.00 0.00 55.73 51.39 3krq s ARG 41 Cb -0.15 -1.05 -0.09 0.00 0.06 0.00 0.00 34.95 33.72 3krq s ARG 41 CO 0.38 -0.09 1.43 0.00 -2.50 0.00 0.00 175.30 174.52 3krq n ALA 42 N -0.67 2.03 -1.77 6.12 0.00 -1.26 -0.76 120.51 124.20 3krq n ALA 42 Ca -0.04 0.27 -0.40 0.00 0.00 0.00 0.00 53.44 53.27 3krq n ALA 42 Cb 0.65 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 3krq n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3krq s LEU 43 N -2.43 4.42 0.61 0.00 1.43 0.26 -4.71 118.68 118.26 3krq s LEU 43 Ca 0.59 2.53 -0.18 0.00 -1.03 0.00 0.00 54.13 56.05 3krq s LEU 43 Cb -0.46 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 42.02 3krq s LEU 43 CO 0.59 -0.46 1.14 0.00 0.23 0.00 0.00 176.35 177.85 3krq s ALA 44 N -1.19 2.54 -0.32 4.21 0.00 -0.80 -4.65 121.76 121.55 3krq s ALA 44 Ca 0.49 0.78 -0.06 0.00 0.00 0.00 0.00 51.96 53.17 3krq s ALA 44 Cb -0.36 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.42 3krq s ALA 44 CO 0.48 -1.10 0.07 1.03 0.00 0.00 0.00 175.76 176.24 3krq s ARG 45 N -3.61 2.72 0.27 0.00 1.81 -1.26 -0.99 118.95 117.90 3krq s ARG 45 Ca 0.72 -1.10 0.14 0.00 -1.72 0.00 0.00 55.73 53.77 3krq s ARG 45 Cb -0.24 -3.37 0.09 0.00 -0.45 0.00 0.00 34.95 30.98 3krq s ARG 45 CO 0.34 -0.59 1.45 -1.49 -0.68 0.00 0.00 175.30 174.34 3krq h TRP 46 N 8.18 0.00 -4.03 -0.53 6.55 -1.98 -3.45 115.95 120.69 3krq h TRP 46 Ca -0.26 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.43 3krq h TRP 46 Cb 1.09 0.00 -0.19 0.00 -0.86 0.00 0.00 29.16 29.20 3krq h TRP 46 CO 0.60 0.56 -0.68 -0.51 -1.05 0.00 0.00 178.44 177.35 3krq s LEU 47 N -6.55 2.28 0.61 -4.49 1.43 -1.26 -5.14 118.68 105.56 3krq s LEU 47 Ca 0.03 -0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 52.30 3krq s LEU 47 Cb 0.08 0.16 -0.02 0.00 0.03 0.00 0.00 46.19 46.44 3krq s LEU 47 CO 0.75 -0.39 1.30 -2.65 0.23 0.00 0.00 176.35 175.59 3krq n PRO 48 N 1.15 1.30 -1.92 1.29 -0.02 -1.26 -4.95 135.00 130.59 3krq n PRO 48 Ca -0.21 0.50 -0.37 0.00 -2.02 0.00 0.00 63.50 61.40 3krq n PRO 48 Cb 0.57 -2.53 0.04 0.00 -0.02 0.00 0.00 33.50 31.55 3krq n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3krq s ALA 49 N -1.36 2.63 -0.30 3.55 0.00 -1.26 -4.73 121.76 120.29 3krq s ALA 49 Ca 0.79 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.90 3krq s ALA 49 Cb -0.39 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.32 3krq s ALA 49 CO 0.43 -1.26 0.05 -1.21 0.00 0.00 0.00 175.76 173.77 3krq s GLU 50 N -3.15 1.22 0.55 0.00 2.02 0.29 -5.01 118.70 114.62 3krq s GLU 50 Ca 0.76 -1.37 0.04 0.00 0.02 0.00 0.00 54.97 54.41 3krq s GLU 50 Cb -0.35 -2.60 0.04 0.00 0.10 0.00 0.00 34.13 31.32 3krq s GLU 50 CO 0.39 -0.88 0.32 0.71 0.02 0.00 0.00 175.26 175.82 3krq s TYR 51 N 1.28 1.54 -0.10 1.61 1.51 -1.26 -4.16 117.35 117.77 3krq s TYR 51 Ca 0.07 -0.91 0.13 0.00 -1.01 0.00 0.00 57.07 55.35 3krq s TYR 51 Cb -0.18 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 3krq s TYR 51 CO -0.14 -0.38 1.37 1.49 -1.11 0.00 0.00 175.55 176.78 3krq h GLU 52 N 0.82 0.00 -0.07 -0.62 4.81 -0.87 -3.28 114.58 115.37 3krq h GLU 52 Ca -0.38 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 3krq h GLU 52 Cb 1.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 3krq h GLU 52 CO 0.60 0.59 -0.05 -0.40 -0.73 0.00 0.00 179.01 179.02 3krq n ASP 53 N -3.23 2.64 0.00 1.04 5.75 -1.26 -4.97 116.55 116.52 3krq n ASP 53 Ca 0.01 -3.18 0.00 0.00 -0.01 0.00 0.00 54.79 51.60 3krq n ASP 53 Cb 0.78 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 3krq n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3krq n GLY 54 N -1.19 1.41 0.74 6.12 0.00 -1.24 -4.72 105.19 106.32 3krq n GLY 54 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 3krq n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3krq n LEU 55 N 0.00 0.98 0.00 0.99 4.77 -1.26 -4.55 117.00 117.93 3krq n LEU 55 Ca 0.00 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3krq n LEU 55 Cb 0.00 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3krq n LEU 55 CO 0.00 -0.20 0.00 0.00 -1.33 0.00 0.00 177.39 175.86 3krq n ALA 56 N -3.59 0.00 -1.77 -1.18 0.00 -1.26 0.15 120.51 112.87 3krq n ALA 56 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.95 3krq n ALA 56 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 3krq n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3krq s LEU 57 N -0.01 4.09 -0.17 0.00 1.43 -1.26 -4.90 118.68 117.86 3krq s LEU 57 Ca 0.00 2.45 -0.29 0.00 -1.03 0.00 0.00 54.13 55.26 3krq s LEU 57 Cb 0.00 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.08 3krq s LEU 57 CO 0.00 -0.91 1.68 -2.84 0.23 0.00 0.00 176.35 174.51 3krq s PRO 58 N -2.50 3.86 0.04 1.29 0.02 -1.26 -0.25 135.00 136.19 3krq s PRO 58 Ca 0.61 1.86 -0.35 0.00 0.02 0.00 0.00 61.00 63.14 3krq s PRO 58 Cb -0.33 -4.05 -0.14 0.00 0.02 0.00 0.00 34.50 30.00 3krq s PRO 58 CO 0.41 -1.23 1.64 1.19 -0.33 0.00 0.00 177.00 178.68 3krq n PHE 59 N 8.32 2.15 -0.07 6.54 3.01 -1.26 0.16 117.46 136.32 3krq n PHE 59 Ca 0.19 0.27 0.00 0.00 1.01 0.00 0.00 57.45 58.92 3krq n PHE 59 Cb 0.44 -2.54 0.00 0.00 -0.01 0.00 0.00 39.48 37.38 3krq n PHE 59 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3krq n GLY 60 N 3.62 0.57 0.14 1.37 0.00 -1.26 -4.92 105.19 104.70 3krq n GLY 60 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 3krq n GLY 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3krq h TRP 61 N 0.00 0.56 -3.36 1.61 2.91 0.12 -3.44 115.95 114.36 3krq h TRP 61 Ca 0.00 -0.30 -0.61 0.00 1.13 0.00 0.00 58.89 59.10 3krq h TRP 61 Cb 0.00 -0.06 -0.15 0.00 -0.51 0.00 0.00 29.16 28.44 3krq h TRP 61 CO 0.00 1.12 -0.53 0.99 -1.03 0.00 0.00 178.44 178.99 3krq s THR 62 N -3.20 5.06 0.28 2.65 2.01 -1.26 -4.99 115.64 116.19 3krq s THR 62 Ca -0.14 0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.94 3krq s THR 62 Cb 0.03 -3.31 0.27 0.00 0.01 0.00 0.00 72.50 69.50 3krq s THR 62 CO 0.81 0.42 1.70 1.56 -0.69 0.00 0.00 174.62 178.42 3krq h GLN 63 N 6.94 0.38 0.00 4.92 4.20 -1.99 -2.69 115.11 126.86 3krq h GLN 63 Ca -0.38 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.30 3krq h GLN 63 Cb 1.16 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.86 3krq h GLN 63 CO 0.70 0.25 -0.39 2.89 -0.67 0.00 0.00 178.83 181.61 3krq n ARG 64 N -5.06 0.21 -3.02 1.46 1.85 -1.26 -4.78 116.66 106.06 3krq n ARG 64 Ca 0.20 0.09 -0.43 0.00 -1.00 0.00 0.00 57.85 56.71 3krq n ARG 64 Cb 0.59 -1.66 -0.06 0.00 -1.05 0.00 0.00 32.46 30.27 3krq n ARG 64 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3krq s LYS 65 N -3.11 3.33 0.68 2.89 -0.14 -1.02 -5.05 119.74 117.33 3krq s LYS 65 Ca 0.09 -0.28 -0.09 0.00 -1.36 0.00 0.00 55.97 54.33 3krq s LYS 65 Cb 0.14 -3.97 0.03 0.00 -1.68 0.00 0.00 37.83 32.36 3krq s LYS 65 CO 0.67 -1.13 1.03 0.95 -0.76 0.00 0.00 175.35 176.10 3krq s THR 66 N 3.14 3.03 -0.26 2.17 -4.23 -1.26 -4.61 115.64 113.61 3krq s THR 66 Ca 0.26 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 3krq s THR 66 Cb -0.13 -3.28 0.02 0.00 1.34 0.00 0.00 72.50 70.44 3krq s THR 66 CO 0.20 -0.33 -0.03 -0.60 -0.54 0.00 0.00 174.62 173.32 3krq s ARG 67 N -5.24 2.93 -1.41 3.99 3.52 0.08 -4.57 118.95 118.25 3krq s ARG 67 Ca 0.58 -0.93 -0.09 0.00 -0.13 0.00 0.00 55.73 55.16 3krq s ARG 67 Cb -0.11 -3.07 0.06 0.00 -1.56 0.00 0.00 34.95 30.26 3krq s ARG 67 CO 0.47 -0.40 0.61 0.09 -0.81 0.00 0.00 175.30 175.27 3krq n ASN 68 N 4.72 -4.62 0.00 -2.12 3.02 -1.26 -1.70 115.26 113.31 3krq n ASN 68 Ca -0.16 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 3krq n ASN 68 Cb 0.47 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 3krq n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3krq n GLY 69 N -1.37 0.88 3.16 7.41 0.00 -1.26 -5.06 105.19 108.95 3krq n GLY 69 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 3krq n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3krq s PHE 70 N -2.82 1.42 0.74 1.61 0.40 -0.69 -4.97 117.98 113.67 3krq s PHE 70 Ca 0.00 -0.31 -0.15 0.00 -0.60 0.00 0.00 56.93 55.87 3krq s PHE 70 Cb 0.00 -0.88 0.04 0.00 0.51 0.00 0.00 43.02 42.69 3krq s PHE 70 CO 0.00 0.01 1.23 1.03 0.70 0.00 0.00 175.22 178.19 3krq s ARG 71 N -0.73 2.07 -0.35 0.44 0.52 -1.26 -0.74 118.95 118.90 3krq s ARG 71 Ca 0.05 1.84 -0.01 0.00 -0.52 0.00 0.00 55.73 57.09 3krq s ARG 71 Cb -0.07 -1.82 0.08 0.00 0.52 0.00 0.00 34.95 33.67 3krq s ARG 71 CO 0.00 -1.91 0.08 0.54 0.02 0.00 0.00 175.30 174.04 3krq s VAL 72 N -1.89 2.91 0.63 3.52 0.11 -1.26 -4.87 120.40 119.55 3krq s VAL 72 Ca 0.76 -1.87 -0.18 0.00 -2.93 0.00 0.00 61.98 57.77 3krq s VAL 72 Cb -0.31 -2.90 -0.04 0.00 -1.53 0.00 0.00 36.38 31.60 3krq s VAL 72 CO 0.46 -0.44 0.87 -0.81 -3.33 0.00 0.00 175.10 171.85 3krq n PRO 73 N 4.52 0.72 -1.73 1.54 -0.04 -1.26 -4.84 135.00 133.91 3krq n PRO 73 Ca -0.05 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.27 3krq n PRO 73 Cb 0.42 -2.09 -0.00 0.00 -0.04 0.00 0.00 33.50 31.79 3krq n PRO 73 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3krq n LEU 74 N -0.76 3.99 -0.35 1.53 4.77 -1.26 -4.85 117.00 120.08 3krq n LEU 74 Ca 0.13 1.21 -0.00 0.00 -0.03 0.00 0.00 56.01 57.32 3krq n LEU 74 Cb 0.48 -1.53 0.13 0.00 -2.33 0.00 0.00 43.42 40.17 3krq n LEU 74 CO 0.49 -0.25 1.25 0.00 -1.33 0.00 0.00 177.39 177.55 3krq h ALA 75 N 2.72 1.24 0.00 -1.18 0.00 -1.87 -0.94 119.26 119.22 3krq h ALA 75 Ca -0.48 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 3krq h ALA 75 Cb 1.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3krq h ALA 75 CO 0.63 0.47 -0.18 -0.09 0.00 0.00 0.00 179.25 180.08 3krq h ARG 76 N 1.17 0.00 -0.11 0.00 9.65 -1.85 -1.36 114.38 121.88 3krq h ARG 76 Ca 0.38 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 59.05 3krq h ARG 76 Cb 0.02 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.61 3krq h ARG 76 CO -0.13 0.18 -0.73 1.49 2.80 0.00 0.00 179.97 183.58 3krq h GLU 77 N 0.00 0.70 -0.58 0.20 4.81 -1.52 -0.49 114.58 117.70 3krq h GLU 77 Ca -0.00 -0.60 -0.09 0.00 -0.13 0.00 0.00 59.36 58.54 3krq h GLU 77 Cb 0.76 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 3krq h GLU 77 CO 0.02 1.21 0.01 0.28 -0.73 0.00 0.00 179.01 179.81 3krq h VAL 78 N 0.38 1.26 0.35 0.32 2.07 -1.17 -1.54 116.25 117.92 3krq h VAL 78 Ca -0.06 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 3krq h VAL 78 Cb 1.38 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3krq h VAL 78 CO 0.15 0.40 -0.17 -1.28 0.02 0.00 0.00 177.57 176.69 3krq h SER 79 N 0.93 -0.39 0.58 0.57 0.87 -1.15 -1.99 113.55 112.95 3krq h SER 79 Ca 0.17 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3krq h SER 79 Cb 0.52 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3krq h SER 79 CO 0.03 -0.24 -0.30 0.78 -0.53 0.00 0.00 176.83 176.56 3krq h ASN 80 N -0.52 -0.73 0.65 6.23 2.35 -0.93 -1.07 115.58 121.55 3krq h ASN 80 Ca -0.05 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 3krq h ASN 80 Cb 0.39 0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3krq h ASN 80 CO 0.08 -0.50 -0.20 0.11 -1.65 0.00 0.00 177.43 175.27 3krq h LYS 81 N -0.81 0.00 0.00 0.81 1.57 -1.34 -3.37 116.57 113.43 3krq h LYS 81 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3krq h LYS 81 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3krq h LYS 81 CO 0.11 0.20 -0.88 -0.89 -0.57 0.00 0.00 179.45 177.42 3krq n ILE 82 N -3.54 0.08 -0.05 1.86 2.08 -0.75 -4.91 119.36 114.12 3krq n ILE 82 Ca -0.01 0.03 -0.15 0.00 0.56 0.00 0.00 62.75 63.18 3krq n ILE 82 Cb 0.35 -1.45 -0.04 0.00 -0.75 0.00 0.00 39.64 37.75 3krq n ILE 82 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3krq h VAL 83 N 0.00 1.28 -4.33 1.39 2.07 -1.15 -3.43 116.25 112.08 3krq h VAL 83 Ca 0.00 -1.81 -0.48 0.00 0.82 0.00 0.00 66.70 65.23 3krq h VAL 83 Cb 0.88 1.75 0.11 0.00 -1.52 0.00 0.00 31.29 32.51 3krq h VAL 83 CO 0.00 0.58 0.34 -0.83 0.02 0.00 0.00 177.57 177.68 3krq s GLY 84 N -4.03 1.60 -0.08 2.17 0.00 -0.96 -2.36 107.32 103.67 3krq s GLY 84 Ca -0.10 -0.40 -0.30 0.00 0.00 0.00 0.00 44.72 43.93 3krq s GLY 84 CO 0.89 0.08 0.89 -2.52 0.00 0.00 0.00 173.10 172.44 3krq s TYR 85 N -3.27 -0.43 -0.20 1.90 -0.85 -1.26 -4.67 117.35 108.57 3krq s TYR 85 Ca 0.62 0.62 -0.19 0.00 -0.52 0.00 0.00 57.07 57.60 3krq s TYR 85 Cb -0.14 0.47 -0.20 0.00 0.38 0.00 0.00 41.96 42.47 3krq s TYR 85 CO 0.53 -0.47 0.21 1.28 -1.52 0.00 0.00 175.55 175.58 3krq n LEU 86 N 0.47 2.00 -4.57 -3.49 4.77 -1.26 -4.66 117.00 110.26 3krq n LEU 86 Ca -0.12 0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 55.81 3krq n LEU 86 Cb 0.59 -0.98 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 3krq n LEU 86 CO 0.16 0.39 0.72 -0.62 -1.33 0.00 0.00 177.39 176.71 3krq s ASP 87 N -6.92 6.51 0.00 -1.43 2.15 -1.26 -4.93 116.67 110.79 3krq s ASP 87 Ca -0.28 0.16 0.30 0.00 0.43 0.00 0.00 52.55 53.16 3krq s ASP 87 Cb 0.06 -2.44 1.39 0.00 -0.30 0.00 0.00 42.92 41.63 3krq s ASP 87 CO 0.61 -0.99 1.98 -0.62 -0.17 0.00 0.00 175.17 175.98 3krq n GLU 88 N 7.01 0.43 -2.09 4.34 -0.58 -1.26 -4.81 120.64 123.68 3krq n GLU 88 Ca 0.06 -0.06 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 3krq n GLU 88 Cb 0.48 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.83 3krq n GLU 88 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3krq s GLU 89 N -2.60 4.32 0.00 3.49 2.12 -1.26 -3.28 118.70 121.49 3krq s GLU 89 Ca 0.27 2.21 0.00 0.00 0.36 0.00 0.00 54.97 57.81 3krq s GLU 89 Cb 0.20 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.47 3krq s GLU 89 CO 0.48 -0.31 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 3krq n GLY 90 N 1.87 0.55 0.11 -1.50 0.00 -1.26 -4.89 105.19 100.07 3krq n GLY 90 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 3krq n GLY 90 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3krq n VAL 91 N -2.19 0.00 -2.07 1.61 0.24 -1.21 -4.93 118.33 109.79 3krq n VAL 91 Ca 0.00 -0.06 -0.33 0.00 -2.04 0.00 0.00 64.34 61.91 3krq n VAL 91 Cb 0.05 -0.16 0.01 0.00 -1.47 0.00 0.00 33.84 32.27 3krq n VAL 91 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3krq s LEU 92 N -2.42 3.55 -0.48 1.34 1.43 -1.26 -1.02 118.68 119.82 3krq s LEU 92 Ca 0.31 1.92 -0.22 0.00 -1.03 0.00 0.00 54.13 55.11 3krq s LEU 92 Cb 0.20 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.91 3krq s LEU 92 CO 0.46 -1.23 0.76 -0.62 0.23 0.00 0.00 176.35 175.95 3krq s ASP 93 N -2.50 6.34 0.01 2.29 -1.08 -0.04 -4.60 116.67 117.09 3krq s ASP 93 Ca 0.66 -0.35 0.07 0.00 -0.52 0.00 0.00 52.55 52.41 3krq s ASP 93 Cb -0.18 -2.37 0.30 0.00 -1.46 0.00 0.00 42.92 39.21 3krq s ASP 93 CO 0.34 -0.95 1.22 0.00 0.52 0.00 0.00 175.17 176.31 3krq n GLN 94 N 6.68 0.00 -2.11 4.34 1.13 -1.26 -3.37 117.38 122.79 3krq n GLN 94 Ca -0.00 0.39 0.02 0.00 -1.94 0.00 0.00 57.00 55.47 3krq n GLN 94 Cb 0.47 -1.51 0.04 0.00 0.11 0.00 0.00 30.24 29.35 3krq n GLN 94 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3krq n ASN 95 N -1.52 1.37 -3.67 1.08 5.15 -1.26 -4.50 115.26 111.92 3krq n ASN 95 Ca 0.02 -2.09 -0.13 0.00 -0.60 0.00 0.00 54.58 51.77 3krq n ASN 95 Cb 0.08 -0.39 -0.13 0.00 -0.53 0.00 0.00 39.78 38.81 3krq n ASN 95 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3krq s ARG 96 N -1.93 0.18 1.16 1.20 1.81 -1.22 -3.68 118.95 116.47 3krq s ARG 96 Ca 0.31 0.78 -0.17 0.00 -1.72 0.00 0.00 55.73 54.92 3krq s ARG 96 Cb 0.36 0.01 0.27 0.00 -0.45 0.00 0.00 34.95 35.13 3krq s ARG 96 CO -0.10 -0.27 1.09 -1.54 -0.68 0.00 0.00 175.30 173.80 3krq s SER 97 N 2.36 1.23 0.18 0.23 1.04 -0.18 -1.77 113.70 116.80 3krq s SER 97 Ca 0.00 0.82 0.24 0.00 0.48 0.00 0.00 55.95 57.49 3krq s SER 97 Cb -0.12 -1.21 0.91 0.00 0.10 0.00 0.00 66.02 65.69 3krq s SER 97 CO -0.09 -3.95 1.73 -0.11 0.98 0.00 0.00 173.24 171.79 3krq n LEU 98 N -4.67 0.57 0.15 2.42 7.94 -0.33 -2.27 117.00 120.80 3krq n LEU 98 Ca 0.10 0.60 -0.00 0.00 -1.11 0.00 0.00 56.01 55.60 3krq n LEU 98 Cb 0.59 -0.47 0.22 0.00 0.53 0.00 0.00 43.42 44.29 3krq n LEU 98 CO 0.49 -0.34 0.56 0.25 -1.11 0.00 0.00 177.39 177.25 3krq h LEU 99 N 0.00 0.01 0.04 -1.96 5.85 -1.75 -2.42 115.31 115.08 3krq h LEU 99 Ca 0.00 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3krq h LEU 99 Cb 0.49 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3krq h LEU 99 CO 0.00 0.55 -0.27 0.15 -0.34 0.00 0.00 178.44 178.53 3krq h PHE 100 N 0.01 -0.74 -0.46 1.25 3.57 -1.72 0.23 116.94 119.09 3krq h PHE 100 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3krq h PHE 100 Cb 0.96 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 3krq h PHE 100 CO 0.00 -0.37 0.30 1.98 -2.23 0.00 0.00 178.31 178.00 3krq h MET 101 N -0.44 0.60 -0.58 1.11 4.05 -1.68 -2.99 114.93 115.00 3krq h MET 101 Ca 0.05 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 3krq h MET 101 Cb 0.50 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.14 3krq h MET 101 CO -0.21 0.40 0.23 0.37 0.23 0.00 0.00 176.91 177.92 3krq h GLN 102 N 0.62 0.88 -0.75 0.39 5.75 -0.79 -2.38 115.11 118.82 3krq h GLN 102 Ca 0.17 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3krq h GLN 102 Cb -0.07 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.30 3krq h GLN 102 CO -0.04 0.76 0.43 2.35 -2.65 0.00 0.00 178.83 179.68 3krq h TRP 103 N 0.81 1.00 -0.57 3.99 2.91 -0.59 -1.82 115.95 121.68 3krq h TRP 103 Ca 0.19 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.31 3krq h TRP 103 Cb 0.21 -0.33 -0.08 0.00 -0.51 0.00 0.00 29.16 28.45 3krq h TRP 103 CO 0.01 0.68 0.11 0.78 -1.03 0.00 0.00 178.44 179.00 3krq h GLY 104 N 1.07 0.71 1.52 2.65 0.00 -1.28 0.31 103.07 108.06 3krq h GLY 104 Ca 0.27 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.42 3krq h GLY 104 CO -0.05 -0.10 -0.52 -1.61 0.00 0.00 0.00 176.54 174.26 3krq h GLN 105 N 0.25 0.51 0.81 4.80 4.15 -1.25 -1.09 115.11 123.29 3krq h GLN 105 Ca 0.29 -0.31 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 3krq h GLN 105 Cb 0.43 0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.15 3krq h GLN 105 CO -0.38 0.90 -0.39 0.82 -1.93 0.00 0.00 178.83 177.85 3krq h ILE 106 N 0.40 0.18 -0.48 2.39 1.08 -0.47 0.81 117.51 121.42 3krq h ILE 106 Ca 0.01 -0.04 0.06 0.00 -0.39 0.00 0.00 64.86 64.51 3krq h ILE 106 Cb 1.04 0.19 -0.06 0.00 -3.07 0.00 0.00 36.82 34.93 3krq h ILE 106 CO 0.10 0.00 0.17 0.58 -0.69 0.00 0.00 178.15 178.30 3krq h VAL 107 N -1.12 0.84 -0.92 1.67 2.07 -0.42 -0.53 116.25 117.83 3krq h VAL 107 Ca -0.11 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.36 3krq h VAL 107 Cb 0.84 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 3krq h VAL 107 CO 0.18 0.06 0.58 -0.78 0.02 0.00 0.00 177.57 177.63 3krq h ASP 108 N 0.34 0.90 0.98 0.57 1.82 -1.07 -0.82 116.42 119.15 3krq h ASP 108 Ca 0.23 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.86 3krq h ASP 108 Cb 0.24 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 40.07 3krq h ASP 108 CO -0.24 0.57 -0.12 0.45 -1.61 0.00 0.00 179.24 178.29 3krq h HIS 109 N 1.03 0.00 -0.13 0.28 3.86 0.64 -1.93 115.15 118.90 3krq h HIS 109 Ca 0.41 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.43 3krq h HIS 109 Cb 0.20 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 3krq h HIS 109 CO -0.02 0.12 -0.69 0.22 0.86 0.00 0.00 177.93 178.42 3krq h ASP 110 N 0.00 0.64 0.16 2.45 1.82 0.21 -3.38 116.42 118.32 3krq h ASP 110 Ca -0.00 -0.40 -0.31 0.00 -0.39 0.00 0.00 57.03 55.93 3krq h ASP 110 Cb 0.64 -0.19 0.01 0.00 0.68 0.00 0.00 39.33 40.47 3krq h ASP 110 CO 0.02 1.15 -1.52 -0.07 -1.61 0.00 0.00 179.24 177.21 3krq h LEU 111 N 0.39 0.52 -7.52 2.28 3.38 -0.77 -3.41 115.31 110.19 3krq h LEU 111 Ca -0.03 -0.90 -0.11 0.00 0.09 0.00 0.00 57.88 56.93 3krq h LEU 111 Cb 1.27 -0.17 -0.19 0.00 0.09 0.00 0.00 40.66 41.66 3krq h LEU 111 CO 0.13 1.68 -0.26 1.51 0.09 0.00 0.00 178.44 181.59 3krq s ASP 112 N -7.18 -0.18 -0.27 -0.43 -4.77 -0.78 -4.25 116.67 98.81 3krq s ASP 112 Ca -0.17 0.03 -0.06 0.00 -3.30 0.00 0.00 52.55 49.04 3krq s ASP 112 Cb 0.04 0.32 0.14 0.00 -1.09 0.00 0.00 42.92 42.34 3krq s ASP 112 CO 0.82 -0.49 0.57 0.12 0.70 0.00 0.00 175.17 176.89 3krq s PHE 113 N -1.61 -1.26 -0.70 2.11 5.36 -1.26 -4.60 117.98 116.02 3krq s PHE 113 Ca -0.12 1.88 -0.00 0.00 -0.96 0.00 0.00 56.93 57.74 3krq s PHE 113 Cb -0.04 0.58 0.17 0.00 -0.34 0.00 0.00 43.02 43.39 3krq s PHE 113 CO 0.03 -0.69 0.52 0.00 -1.46 0.00 0.00 175.22 173.61 3krq s ALA 114 N 2.80 3.77 1.03 11.12 0.00 -1.26 -1.27 121.76 137.95 3krq s ALA 114 Ca 0.03 -3.53 -0.12 0.00 0.00 0.00 0.00 51.96 48.34 3krq s ALA 114 Cb -0.13 -2.55 0.19 0.00 0.00 0.00 0.00 23.12 20.62 3krq s ALA 114 CO -0.18 -2.11 0.42 -2.30 0.00 0.00 0.00 175.76 171.59 3krq n PRO 115 N 2.84 -2.15 -3.44 0.00 -0.02 -1.26 -4.64 135.00 126.33 3krq n PRO 115 Ca 0.13 -0.71 -0.20 0.00 -2.02 0.00 0.00 63.50 60.70 3krq n PRO 115 Cb 0.36 -1.15 -0.00 0.00 -0.02 0.00 0.00 33.50 32.69 3krq n PRO 115 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3krq s GLU 116 N -3.50 3.17 -0.30 -0.52 -1.05 -1.26 -2.03 118.70 113.20 3krq s GLU 116 Ca 0.33 -0.85 -0.37 0.00 -0.15 0.00 0.00 54.97 53.93 3krq s GLU 116 Cb -0.06 -2.77 -0.13 0.00 -0.44 0.00 0.00 34.13 30.73 3krq s GLU 116 CO 0.27 0.05 2.03 0.25 0.95 0.00 0.00 175.26 178.82 3krq n THR 117 N -1.70 0.26 -0.02 1.83 -2.24 -0.65 -4.46 114.28 107.30 3krq n THR 117 Ca -0.01 -0.17 0.20 0.00 -2.27 0.00 0.00 64.05 61.79 3krq n THR 117 Cb 0.58 -1.52 0.37 0.00 -2.10 0.00 0.00 70.33 67.66 3krq n THR 117 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3krq h GLU 118 N 10.49 0.00 -5.43 -0.78 4.81 -1.92 -3.34 114.58 118.40 3krq h GLU 118 Ca -0.34 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.66 3krq h GLU 118 Cb 1.32 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 3krq h GLU 118 CO 1.00 0.00 0.69 -1.17 -0.73 0.00 0.00 179.01 178.80 3krq s LEU 119 N -6.16 2.91 -0.44 1.64 2.96 -1.26 -4.35 118.68 113.98 3krq s LEU 119 Ca -0.02 -1.16 0.06 0.00 -0.22 0.00 0.00 54.13 52.79 3krq s LEU 119 Cb 0.10 -2.58 0.32 0.00 0.50 0.00 0.00 46.19 44.54 3krq s LEU 119 CO 0.35 -3.45 1.17 0.61 -1.32 0.00 0.00 176.35 173.72 3krq n GLY 120 N 6.19 0.40 2.66 7.98 0.00 -1.26 -5.03 105.19 116.14 3krq n GLY 120 Ca 0.43 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 46.29 3krq n GLY 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3krq n SER 121 N 0.28 2.19 -2.67 1.61 3.41 -1.26 -4.85 113.62 112.32 3krq n SER 121 Ca 0.03 -3.03 -0.01 0.00 -0.26 0.00 0.00 58.87 55.60 3krq n SER 121 Cb 0.72 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3krq n SER 121 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3krq n ASN 122 N 1.93 -6.28 -4.30 4.04 4.05 -1.26 -5.13 115.26 108.31 3krq n ASN 122 Ca 0.24 -0.08 -0.22 0.00 0.45 0.00 0.00 54.58 54.97 3krq n ASN 122 Cb 0.40 -4.21 -0.12 0.00 1.23 0.00 0.00 39.78 37.08 3krq n ASN 122 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3krq s GLU 123 N -3.07 1.17 0.00 1.20 -1.05 -1.26 -5.05 118.70 110.64 3krq s GLU 123 Ca 0.02 -1.28 0.24 0.00 -0.15 0.00 0.00 54.97 53.80 3krq s GLU 123 Cb -0.00 -1.26 0.23 0.00 -0.44 0.00 0.00 34.13 32.65 3krq s GLU 123 CO 0.56 0.27 1.23 -2.39 0.95 0.00 0.00 175.26 175.88 3krq n HIS 124 N 0.63 0.00 0.30 4.83 1.44 -1.26 -4.25 115.22 116.91 3krq n HIS 124 Ca -0.16 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.73 3krq n HIS 124 Cb 0.56 -0.07 0.91 0.00 0.12 0.00 0.00 29.99 31.51 3krq n HIS 124 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 3krq h SER 125 N 1.26 0.00 0.21 4.39 0.02 -1.97 1.43 113.55 118.89 3krq h SER 125 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 3krq h SER 125 Cb 0.60 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.17 3krq h SER 125 CO 0.00 0.00 -1.34 0.11 -1.14 0.00 0.00 176.83 174.46 3krq h LYS 126 N 0.00 0.54 0.04 3.45 1.57 -1.97 -2.17 116.57 118.03 3krq h LYS 126 Ca 0.03 -0.86 -0.25 0.00 -1.87 0.00 0.00 60.65 57.70 3krq h LYS 126 Cb 0.53 0.31 0.02 0.00 0.08 0.00 0.00 32.23 33.17 3krq h LYS 126 CO -0.00 1.40 -1.00 1.79 -0.57 0.00 0.00 179.45 181.08 3krq h THR 127 N 0.11 1.32 -0.71 -0.16 1.35 0.12 -0.14 112.91 114.80 3krq h THR 127 Ca -0.23 -2.28 0.07 0.00 -0.55 0.00 0.00 66.41 63.43 3krq h THR 127 Cb 2.04 2.54 -0.04 0.00 -1.73 0.00 0.00 68.15 70.96 3krq h THR 127 CO 0.25 0.69 0.46 -0.61 -0.25 0.00 0.00 175.52 176.07 3krq h GLN 128 N 0.23 0.68 -0.02 4.72 4.15 0.10 0.52 115.11 125.49 3krq h GLN 128 Ca -0.14 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 3krq h GLN 128 Cb 1.67 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 29.21 3krq h GLN 128 CO 0.19 0.45 -0.01 0.00 -1.93 0.00 0.00 178.83 177.53 3krq h GLU 130 N -0.37 -0.08 0.04 0.00 4.81 -0.43 -3.20 114.58 115.36 3krq h GLU 130 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3krq h GLU 130 Cb 0.46 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3krq h GLU 130 CO 0.00 -0.05 -0.02 0.93 -0.73 0.00 0.00 179.01 179.14 3krq h GLU 131 N -0.08 -0.05 -0.33 1.92 4.39 0.06 -3.40 114.58 117.09 3krq h GLU 131 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3krq h GLU 131 Cb 0.15 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3krq h GLU 131 CO -0.12 0.58 0.00 0.66 -1.16 0.00 0.00 179.01 178.97 3krq n TYR 132 N -4.79 0.84 -4.17 4.33 4.02 -0.98 -4.98 117.16 111.44 3krq n TYR 132 Ca -0.09 -0.72 -0.35 0.00 -0.01 0.00 0.00 57.90 56.74 3krq n TYR 132 Cb 0.32 -0.21 -0.02 0.00 -0.02 0.00 0.00 39.34 39.41 3krq n TYR 132 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3krq s ILE 134 N -3.32 4.44 0.32 0.00 -1.09 -1.26 -4.95 121.20 115.34 3krq s ILE 134 Ca 0.70 -0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.78 3krq s ILE 134 Cb -0.38 -4.55 -0.10 0.00 -1.58 0.00 0.00 42.46 35.85 3krq s ILE 134 CO 0.91 -1.18 1.26 -1.58 -1.23 0.00 0.00 174.94 173.12 3krq s GLN 135 N 3.79 4.42 0.00 2.79 0.74 -1.26 -4.82 119.66 125.31 3krq s GLN 135 Ca 0.25 2.12 0.00 0.00 0.05 0.00 0.00 55.36 57.78 3krq s GLN 135 Cb -0.15 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 30.86 3krq s GLN 135 CO 0.15 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 3krq n GLY 136 N 0.94 2.10 7.00 2.59 0.00 -0.21 -5.02 105.19 112.59 3krq n GLY 136 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3krq n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3krq n ASP 137 N 0.00 0.00 0.00 1.61 8.00 -1.26 -1.38 116.55 123.52 3krq n ASP 137 Ca 0.00 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.65 3krq n ASP 137 Cb 0.00 0.00 0.89 0.00 -0.02 0.00 0.00 41.12 41.99 3krq n ASP 137 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3krq n ASN 138 N 3.03 0.00 -4.60 -2.24 3.02 -1.26 -4.64 115.26 108.57 3krq n ASN 138 Ca 0.00 -1.06 -0.41 0.00 -0.03 0.00 0.00 54.58 53.08 3krq n ASN 138 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3krq n ASN 138 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3krq n PHE 140 N 5.88 0.43 -1.64 0.00 7.35 -0.66 -1.05 117.46 127.76 3krq n PHE 140 Ca -0.01 -3.67 -0.38 0.00 -0.76 0.00 0.00 57.45 52.63 3krq n PHE 140 Cb 0.49 -0.36 0.05 0.00 0.35 0.00 0.00 39.48 40.01 3krq n PHE 140 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3krq n PRO 141 N 1.39 1.08 -3.02 -7.13 -0.02 -1.25 -4.45 135.00 121.60 3krq n PRO 141 Ca 0.23 0.41 -0.43 0.00 -2.02 0.00 0.00 63.50 61.69 3krq n PRO 141 Cb 0.50 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 3krq n PRO 141 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3krq s ILE 142 N -1.44 4.66 0.31 4.25 1.01 -0.12 -4.90 121.20 124.96 3krq s ILE 142 Ca 0.74 -0.25 -0.28 0.00 0.00 0.00 0.00 60.65 60.86 3krq s ILE 142 Cb -0.43 -4.42 -0.09 0.00 0.01 0.00 0.00 42.46 37.52 3krq s ILE 142 CO 0.48 -0.98 1.11 -0.04 0.00 0.00 0.00 174.94 175.50 3krq s MET 143 N 3.20 4.52 0.23 2.79 -1.94 -1.26 -0.32 119.30 126.52 3krq s MET 143 Ca 0.21 1.79 -0.26 0.00 -1.71 0.00 0.00 55.69 55.72 3krq s MET 143 Cb -0.17 -3.06 -0.09 0.00 2.01 0.00 0.00 34.83 33.52 3krq s MET 143 CO 0.14 0.11 0.85 -0.06 -0.01 0.00 0.00 175.02 176.05 3krq s PHE 144 N -1.24 3.85 0.64 -0.03 2.99 -0.71 -4.53 117.98 118.94 3krq s PHE 144 Ca 0.47 1.71 -0.09 0.00 0.00 0.00 0.00 56.93 59.03 3krq s PHE 144 Cb -0.31 -2.84 0.01 0.00 0.00 0.00 0.00 43.02 39.88 3krq s PHE 144 CO 0.40 0.41 1.00 -1.25 -0.00 0.00 0.00 175.22 175.78 3krq s PRO 145 N -1.47 2.93 0.72 0.24 0.04 -1.26 -4.99 135.00 131.20 3krq s PRO 145 Ca 0.41 0.25 -0.16 0.00 0.04 0.00 0.00 61.00 61.55 3krq s PRO 145 Cb -0.22 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.20 3krq s PRO 145 CO 0.27 -0.85 1.24 0.15 0.04 0.00 0.00 177.00 177.85 3krq s LYS 146 N -5.17 2.18 0.00 4.56 -0.14 -1.26 -2.35 119.74 117.57 3krq s LYS 146 Ca 0.56 1.87 0.00 0.00 -1.36 0.00 0.00 55.97 57.04 3krq s LYS 146 Cb -0.11 -1.83 0.00 0.00 -1.68 0.00 0.00 37.83 34.22 3krq s LYS 146 CO 0.49 -1.83 0.00 0.09 -0.76 0.00 0.00 175.35 173.34 3krq n ASN 147 N -2.54 -3.51 -4.66 2.83 3.02 -1.26 -4.97 115.26 104.16 3krq n ASN 147 Ca 0.14 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.27 3krq n ASN 147 Cb 0.49 -1.76 -0.03 0.00 -0.61 0.00 0.00 39.78 37.88 3krq n ASN 147 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3krq s ASP 148 N -2.11 7.08 0.34 6.41 -1.08 -0.99 -4.93 116.67 121.39 3krq s ASP 148 Ca 0.00 1.35 0.12 0.00 -0.52 0.00 0.00 52.55 53.50 3krq s ASP 148 Cb 0.00 -2.52 0.96 0.00 -1.46 0.00 0.00 42.92 39.90 3krq s ASP 148 CO 0.00 -0.57 1.72 -0.65 0.52 0.00 0.00 175.17 176.19 3krq h PRO 149 N 7.39 0.49 0.00 4.34 0.11 -1.93 -0.34 132.00 142.06 3krq h PRO 149 Ca -0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3krq h PRO 149 Cb 1.09 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3krq h PRO 149 CO 0.92 0.32 0.00 0.87 -0.21 0.00 0.00 178.00 179.91 3krq h LYS 150 N 0.50 0.00 -0.45 1.05 1.57 -1.94 -1.11 116.57 116.19 3krq h LYS 150 Ca 0.66 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.32 3krq h LYS 150 Cb 1.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 3krq h LYS 150 CO -0.48 0.00 -0.20 -0.07 -0.57 0.00 0.00 179.45 178.14 3krq h LEU 151 N 0.00 0.90 -2.22 2.94 3.38 -1.22 0.58 115.31 119.67 3krq h LEU 151 Ca 0.00 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3krq h LEU 151 Cb 0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3krq h LEU 151 CO 0.00 1.07 -0.05 0.11 0.09 0.00 0.00 178.44 179.67 3krq h LYS 152 N 0.78 0.00 0.00 1.13 1.79 -1.36 -3.35 116.57 115.55 3krq h LYS 152 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3krq h LYS 152 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 3krq h LYS 152 CO 0.06 0.05 -0.17 -2.37 -1.08 0.00 0.00 179.45 175.94 3krq n THR 153 N -3.39 0.00 -0.03 -0.16 5.66 -0.96 -4.92 114.28 110.48 3krq n THR 153 Ca -0.02 -0.08 -0.03 0.00 -3.05 0.00 0.00 64.05 60.87 3krq n THR 153 Cb 0.18 0.58 -0.05 0.00 -1.55 0.00 0.00 70.33 69.49 3krq n THR 153 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3krq n GLN 154 N -0.42 2.85 0.00 1.09 6.02 0.20 -5.10 117.38 122.02 3krq n GLN 154 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3krq n GLN 154 Cb 0.00 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3krq n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3krq n GLY 155 N 2.63 0.52 0.00 1.08 0.00 -1.18 -4.88 105.19 103.37 3krq n GLY 155 Ca -0.10 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.31 3krq n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3krq n LYS 156 N 0.00 1.21 -3.92 1.61 5.02 -1.26 -4.21 118.16 116.60 3krq n LYS 156 Ca 0.00 -0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.12 3krq n LYS 156 Cb 0.00 -1.31 -0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3krq n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3krq s MET 158 N -2.62 2.10 0.80 0.00 -1.94 0.56 -4.94 119.30 113.27 3krq s MET 158 Ca 0.22 -0.79 -0.14 0.00 -1.71 0.00 0.00 55.69 53.27 3krq s MET 158 Cb -0.03 -1.86 0.02 0.00 2.01 0.00 0.00 34.83 34.97 3krq s MET 158 CO 0.15 0.37 0.74 -2.30 -0.01 0.00 0.00 175.02 173.98 3krq n PRO 159 N 2.88 0.15 -3.61 2.03 -0.02 -1.26 -0.95 135.00 134.21 3krq n PRO 159 Ca -0.17 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3krq n PRO 159 Cb 0.52 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 3krq n PRO 159 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3krq s PHE 160 N -2.08 -0.35 -0.11 6.00 5.36 -1.26 -4.55 117.98 120.98 3krq s PHE 160 Ca 0.67 0.70 0.02 0.00 -0.96 0.00 0.00 56.93 57.35 3krq s PHE 160 Cb -0.30 0.21 0.01 0.00 -0.34 0.00 0.00 43.02 42.60 3krq s PHE 160 CO 0.57 -0.18 -0.18 -0.06 -1.46 0.00 0.00 175.22 173.92 3krq s PHE 161 N 1.32 2.17 0.51 10.12 0.40 -1.26 -1.66 117.98 129.58 3krq s PHE 161 Ca -0.08 -1.01 -0.21 0.00 -0.60 0.00 0.00 56.93 55.03 3krq s PHE 161 Cb -0.03 -1.52 -0.08 0.00 0.51 0.00 0.00 43.02 41.89 3krq s PHE 161 CO -0.13 -0.49 0.84 0.54 0.70 0.00 0.00 175.22 176.68 3krq n ARG 162 N 4.06 0.94 -1.82 0.44 1.74 -0.56 -4.62 116.66 116.84 3krq n ARG 162 Ca -0.20 0.35 -0.35 0.00 -0.77 0.00 0.00 57.85 56.88 3krq n ARG 162 Cb 0.52 -1.95 0.05 0.00 -1.02 0.00 0.00 32.46 30.06 3krq n ARG 162 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3krq s ALA 163 N -1.47 2.42 0.27 7.54 0.00 -1.26 -1.63 121.76 127.63 3krq s ALA 163 Ca 0.68 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 53.26 3krq s ALA 163 Cb -0.49 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.08 3krq s ALA 163 CO 0.53 -1.37 1.52 0.20 0.00 0.00 0.00 175.76 176.64 3krq s GLY 164 N -1.85 2.24 0.35 0.00 0.00 -0.86 -4.58 107.32 102.62 3krq s GLY 164 Ca 0.75 1.46 0.06 0.00 0.00 0.00 0.00 44.72 46.99 3krq s GLY 164 CO 0.37 2.41 0.01 -0.11 0.00 0.00 0.00 173.10 175.78 3krq s PHE 165 N -0.04 2.20 0.09 1.90 -0.12 -1.26 -0.82 117.98 119.93 3krq s PHE 165 Ca 0.61 -0.77 -0.19 0.00 -0.05 0.00 0.00 56.93 56.53 3krq s PHE 165 Cb -0.45 -1.44 -0.07 0.00 -0.63 0.00 0.00 43.02 40.43 3krq s PHE 165 CO 0.46 0.26 0.58 0.54 -0.05 0.00 0.00 175.22 177.02 3krq s VAL 166 N -2.98 4.73 -0.20 -2.49 0.11 -0.70 -4.54 120.40 114.33 3krq s VAL 166 Ca 0.34 1.19 -0.03 0.00 -2.93 0.00 0.00 61.98 60.56 3krq s VAL 166 Cb 0.08 -3.89 0.01 0.00 -1.53 0.00 0.00 36.38 31.05 3krq s VAL 166 CO 0.16 0.50 0.05 0.00 -3.33 0.00 0.00 175.10 172.48 3krq n PRO 168 N 0.70 0.00 0.00 0.00 -0.02 -1.26 -4.81 135.00 129.61 3krq n PRO 168 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3krq n PRO 168 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.61 3krq n PRO 168 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3krq n THR 169 N -0.53 0.00 0.00 3.45 5.66 -1.26 -4.50 114.28 117.10 3krq n THR 169 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3krq n THR 169 Cb 0.00 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 3krq n THR 169 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3krq n PRO 170 N -1.63 0.00 -2.30 1.09 -0.02 -1.26 -4.64 135.00 126.23 3krq n PRO 170 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 3krq n PRO 170 Cb 0.28 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.74 3krq n PRO 170 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3krq s PRO 171 N 0.31 4.23 -0.05 0.52 0.02 -1.26 -5.09 135.00 133.68 3krq s PRO 171 Ca 0.00 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 62.54 3krq s PRO 171 Cb 0.00 -3.80 0.11 0.00 0.02 0.00 0.00 34.50 30.83 3krq s PRO 171 CO 0.00 -0.73 0.96 -0.47 -0.33 0.00 0.00 177.00 176.43 3krq s TYR 172 N 3.52 -0.30 0.14 6.54 6.14 -1.26 -4.79 117.35 127.35 3krq s TYR 172 Ca 0.60 0.18 0.00 0.00 0.64 0.00 0.00 57.07 58.50 3krq s TYR 172 Cb -0.26 0.53 0.00 0.00 0.42 0.00 0.00 41.96 42.66 3krq s TYR 172 CO 0.20 -0.47 0.00 1.04 0.64 0.00 0.00 175.55 176.96 3krq n GLN 173 N -0.21 0.00 0.22 4.97 6.02 -1.26 -5.06 117.38 122.07 3krq n GLN 173 Ca -0.07 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.97 3krq n GLN 173 Cb 0.61 0.00 0.28 0.00 1.02 0.00 0.00 30.24 32.15 3krq n GLN 173 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3krq h SER 174 N 0.00 0.00 -5.73 1.08 0.02 -1.99 -3.43 113.55 103.51 3krq h SER 174 Ca 0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 3krq h SER 174 Cb 0.00 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 3krq h SER 174 CO 0.00 0.00 -0.33 -0.22 -1.14 0.00 0.00 176.83 175.14 3krq s LEU 175 N -4.36 1.42 0.32 5.07 0.20 -1.26 -5.13 118.68 114.95 3krq s LEU 175 Ca -0.01 -1.66 -0.29 0.00 0.69 0.00 0.00 54.13 52.86 3krq s LEU 175 Cb 0.03 1.03 -0.10 0.00 -0.43 0.00 0.00 46.19 46.71 3krq s LEU 175 CO 0.09 -1.20 1.39 0.00 -0.29 0.00 0.00 176.35 176.34 3krq s ALA 176 N -3.17 3.55 0.14 5.97 0.00 -1.26 -4.80 121.76 122.19 3krq s ALA 176 Ca 0.36 1.37 -0.31 0.00 0.00 0.00 0.00 51.96 53.37 3krq s ALA 176 Cb 0.01 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 3krq s ALA 176 CO 0.25 -0.78 1.50 0.50 0.00 0.00 0.00 175.76 177.23 3krq s ARG 177 N -1.53 4.26 -0.17 0.00 3.52 0.40 -5.01 118.95 120.42 3krq s ARG 177 Ca 0.53 2.25 0.01 0.00 -0.13 0.00 0.00 55.73 58.38 3krq s ARG 177 Cb -0.42 -3.21 0.02 0.00 -1.56 0.00 0.00 34.95 29.78 3krq s ARG 177 CO 0.53 -0.55 -0.19 -1.21 -0.81 0.00 0.00 175.30 173.08 3krq s GLU 178 N 1.19 2.85 0.53 5.12 0.41 -1.26 -4.97 118.70 122.57 3krq s GLU 178 Ca 0.68 -0.77 -0.18 0.00 -0.41 0.00 0.00 54.97 54.28 3krq s GLU 178 Cb -0.41 -2.46 -0.06 0.00 -1.78 0.00 0.00 34.13 29.42 3krq s GLU 178 CO 0.31 -0.19 1.05 -0.65 -0.49 0.00 0.00 175.26 175.28 3krq s GLN 179 N 1.28 3.61 0.06 1.61 1.11 -1.26 -1.73 119.66 124.34 3krq s GLN 179 Ca 0.04 1.29 -0.20 0.00 0.01 0.00 0.00 55.36 56.49 3krq s GLN 179 Cb -0.13 -2.07 -0.06 0.00 -1.01 0.00 0.00 33.01 29.73 3krq s GLN 179 CO -0.11 -0.59 0.61 0.42 0.01 0.00 0.00 175.29 175.63 3krq s ILE 180 N -2.18 4.73 -0.41 1.08 1.01 -0.00 -0.58 121.20 124.85 3krq s ILE 180 Ca 0.66 1.30 -0.11 0.00 0.00 0.00 0.00 60.65 62.49 3krq s ILE 180 Cb -0.16 -3.94 0.06 0.00 0.01 0.00 0.00 42.46 38.43 3krq s ILE 180 CO 0.27 0.51 0.26 0.21 0.00 0.00 0.00 174.94 176.20 3krq s ASN 181 N -0.86 5.75 0.00 3.58 2.47 0.06 -4.12 114.94 121.82 3krq s ASN 181 Ca 0.31 -1.32 0.26 0.00 0.42 0.00 0.00 52.86 52.53 3krq s ASN 181 Cb -0.20 -2.03 1.37 0.00 -1.45 0.00 0.00 41.25 38.94 3krq s ASN 181 CO 0.20 -0.51 1.88 0.00 -3.72 0.00 0.00 177.10 174.95 3krq n ALA 182 N 4.99 2.34 -2.53 1.71 0.00 -0.40 0.67 120.51 127.29 3krq n ALA 182 Ca -0.11 -0.13 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 3krq n ALA 182 Cb 0.44 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 3krq n ALA 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3krq s VAL 183 N -2.43 1.75 0.39 0.00 -7.23 -1.26 -4.17 120.40 107.44 3krq s VAL 183 Ca 0.28 -2.05 -0.25 0.00 -1.81 0.00 0.00 61.98 58.15 3krq s VAL 183 Cb 0.17 -2.81 -0.09 0.00 0.56 0.00 0.00 36.38 34.21 3krq s VAL 183 CO 0.37 -0.07 1.12 0.42 -0.31 0.00 0.00 175.10 176.63 3krq s THR 184 N -2.91 3.37 -0.32 5.32 -4.23 -1.26 -3.94 115.64 111.67 3krq s THR 184 Ca 0.34 1.14 0.27 0.00 -1.18 0.00 0.00 61.69 62.26 3krq s THR 184 Cb 0.08 -3.63 0.34 0.00 1.34 0.00 0.00 72.50 70.62 3krq s THR 184 CO 0.16 0.09 1.78 0.28 -0.54 0.00 0.00 174.62 176.39 3krq h SER 185 N 2.72 0.00 -4.06 3.99 0.02 -1.35 -3.40 113.55 111.47 3krq h SER 185 Ca -0.48 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 59.99 3krq h SER 185 Cb 1.23 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.80 3krq h SER 185 CO 0.63 0.00 0.40 -0.36 -1.14 0.00 0.00 176.83 176.36 3krq s PHE 186 N -3.36 2.98 -0.93 3.45 0.40 -1.26 -4.84 117.98 114.43 3krq s PHE 186 Ca 0.05 1.58 -0.24 0.00 -0.60 0.00 0.00 56.93 57.72 3krq s PHE 186 Cb 0.08 -3.11 0.04 0.00 0.51 0.00 0.00 43.02 40.54 3krq s PHE 186 CO 0.58 -0.92 1.39 -1.17 0.70 0.00 0.00 175.22 175.80 3krq s LEU 187 N -3.40 3.42 0.00 -0.37 2.96 -1.26 -4.71 118.68 115.32 3krq s LEU 187 Ca 0.67 -1.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 3krq s LEU 187 Cb -0.18 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 43.94 3krq s LEU 187 CO 0.22 -1.61 0.60 -0.90 -1.32 0.00 0.00 176.35 173.35 3krq n ASP 188 N 9.01 0.00 -3.18 3.68 5.75 -1.26 -4.69 116.55 125.85 3krq n ASP 188 Ca 0.23 -1.34 -0.23 0.00 -0.01 0.00 0.00 54.79 53.45 3krq n ASP 188 Cb 0.50 -0.07 0.02 0.00 -1.03 0.00 0.00 41.12 40.55 3krq n ASP 188 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3krq n ALA 189 N 0.00 -1.02 0.28 2.12 0.00 -1.26 -4.70 120.51 115.93 3krq n ALA 189 Ca 0.00 0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.79 3krq n ALA 189 Cb 0.57 -3.52 0.64 0.00 0.00 0.00 0.00 19.45 17.14 3krq n ALA 189 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3krq h SER 190 N -1.28 0.00 1.38 0.00 4.64 -1.86 -0.28 113.55 116.16 3krq h SER 190 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3krq h SER 190 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3krq h SER 190 CO 0.56 0.00 0.00 0.17 -0.87 0.00 0.00 176.83 176.69 3krq h LEU 191 N 0.00 0.00 0.01 5.97 -0.00 -1.85 0.22 115.31 119.66 3krq h LEU 191 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.88 57.47 3krq h LEU 191 Cb 0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.79 3krq h LEU 191 CO 0.00 0.00 -2.43 0.52 -0.00 0.00 0.00 178.44 176.53 3krq n VAL 192 N -2.55 1.52 0.01 0.15 0.31 -0.21 -1.55 118.33 116.03 3krq n VAL 192 Ca 0.04 -0.49 0.04 0.00 -0.01 0.00 0.00 64.34 63.93 3krq n VAL 192 Cb 0.40 -1.64 -0.11 0.00 -0.91 0.00 0.00 33.84 31.58 3krq n VAL 192 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3krq n TYR 193 N -3.69 0.49 0.00 3.52 4.02 -0.66 -2.96 117.16 117.88 3krq n TYR 193 Ca -0.48 0.16 0.00 0.00 -0.01 0.00 0.00 57.90 57.57 3krq n TYR 193 Cb 0.94 -0.86 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 3krq n TYR 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3krq n GLY 194 N 1.37 2.37 0.03 2.72 0.00 0.78 -3.52 105.19 108.93 3krq n GLY 194 Ca -0.10 -1.95 0.02 0.00 0.00 0.00 0.00 46.02 44.00 3krq n GLY 194 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3krq n SER 195 N 0.00 0.38 -4.67 1.61 7.64 -1.26 -4.78 113.62 112.55 3krq n SER 195 Ca 0.00 -0.69 -0.24 0.00 1.01 0.00 0.00 58.87 58.95 3krq n SER 195 Cb 0.00 0.87 -0.07 0.00 -1.01 0.00 0.00 64.21 63.99 3krq n SER 195 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3krq s GLU 196 N -1.31 2.23 0.00 1.43 2.56 -1.26 -4.02 118.70 118.33 3krq s GLU 196 Ca 0.02 -1.58 0.00 0.00 0.00 0.00 0.00 54.97 53.41 3krq s GLU 196 Cb 0.04 -2.08 0.00 0.00 2.00 0.00 0.00 34.13 34.09 3krq s GLU 196 CO 0.18 0.20 0.00 -2.30 -0.56 0.00 0.00 175.26 172.77 3krq n PRO 197 N -1.00 0.00 0.00 4.30 -0.02 -1.26 -2.42 135.00 134.60 3krq n PRO 197 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3krq n PRO 197 Cb 0.61 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 3krq n PRO 197 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3krq n LEU 199 N 1.77 0.00 -0.34 2.45 7.94 -1.26 -2.85 117.00 124.72 3krq n LEU 199 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 3krq n LEU 199 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 3krq n LEU 199 CO 0.00 0.00 0.44 0.00 -1.11 0.00 0.00 177.39 176.72 3krq n ALA 200 N 0.00 -0.36 0.31 1.96 0.00 -1.02 -1.78 120.51 119.62 3krq n ALA 200 Ca 0.00 0.76 0.19 0.00 0.00 0.00 0.00 53.44 54.39 3krq n ALA 200 Cb 0.00 -0.22 1.03 0.00 0.00 0.00 0.00 19.45 20.26 3krq n ALA 200 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3krq h SER 201 N 0.00 0.00 0.00 0.00 0.87 -1.80 -2.62 113.55 110.00 3krq h SER 201 Ca 0.20 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3krq h SER 201 Cb 0.40 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3krq h SER 201 CO -0.80 0.02 -1.85 -1.14 -0.53 0.00 0.00 176.83 172.53 3krq n ARG 202 N -3.35 0.73 0.25 2.24 0.63 -0.75 -3.36 116.66 113.04 3krq n ARG 202 Ca -0.02 -0.12 0.11 0.00 -0.92 0.00 0.00 57.85 56.89 3krq n ARG 202 Cb 0.12 -1.40 0.64 0.00 0.45 0.00 0.00 32.46 32.26 3krq n ARG 202 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3krq h LEU 203 N 0.00 0.00-10.16 6.15 3.38 -0.98 -3.47 115.31 110.23 3krq h LEU 203 Ca -0.10 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.41 3krq h LEU 203 Cb 1.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.81 3krq h LEU 203 CO 0.01 0.16 0.36 -0.13 0.09 0.00 0.00 178.44 178.93 3krq s ARG 204 N -4.10 4.02 -0.49 1.13 0.52 -1.09 0.14 118.95 119.08 3krq s ARG 204 Ca -0.02 0.99 -0.14 0.00 -0.52 0.00 0.00 55.73 56.04 3krq s ARG 204 Cb 0.13 -2.15 0.10 0.00 0.52 0.00 0.00 34.95 33.55 3krq s ARG 204 CO 0.61 -0.20 0.41 1.21 0.02 0.00 0.00 175.30 177.35 3krq s ASN 205 N -2.82 6.04 0.00 0.23 3.84 -0.51 -4.31 114.94 117.40 3krq s ASN 205 Ca 0.60 -1.60 0.24 0.00 0.21 0.00 0.00 52.86 52.31 3krq s ASN 205 Cb -0.10 -2.14 0.32 0.00 -0.55 0.00 0.00 41.25 38.78 3krq s ASN 205 CO 0.26 -0.72 1.32 0.18 -2.79 0.00 0.00 177.10 175.35 3krq n LEU 206 N 5.14 2.39 0.26 3.21 4.77 -1.26 -4.34 117.00 127.18 3krq n LEU 206 Ca -0.12 -0.81 0.15 0.00 -0.03 0.00 0.00 56.01 55.20 3krq n LEU 206 Cb 0.42 -0.01 0.60 0.00 -2.33 0.00 0.00 43.42 42.10 3krq n LEU 206 CO 0.48 0.41 0.93 0.28 -1.33 0.00 0.00 177.39 178.16 3krq h SER 207 N 3.55 0.00 -3.27 -1.43 0.02 -1.99 -3.43 113.55 107.01 3krq h SER 207 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 3krq h SER 207 Cb 0.83 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.00 3krq h SER 207 CO 0.00 0.07 -0.81 -0.44 -1.14 0.00 0.00 176.83 174.51 3krq s SER 208 N -5.88 2.85 0.00 3.07 0.01 -1.26 -5.06 113.70 107.43 3krq s SER 208 Ca 0.01 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.65 3krq s SER 208 Cb 0.09 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 65.24 3krq s SER 208 CO 0.58 -0.12 0.00 -2.65 0.41 0.00 0.00 173.24 171.45 3krq n PRO 209 N 4.80 0.00 -0.03 12.44 -0.02 -1.26 -3.31 135.00 147.62 3krq n PRO 209 Ca -0.14 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.42 3krq n PRO 209 Cb 0.48 -1.07 0.09 0.00 -0.02 0.00 0.00 33.50 32.98 3krq n PRO 209 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3krq n LEU 210 N 0.63 2.52 -3.70 2.45 4.32 -1.26 -0.62 117.00 121.34 3krq n LEU 210 Ca 0.00 -1.10 -0.28 0.00 -0.02 0.00 0.00 56.01 54.62 3krq n LEU 210 Cb 0.00 -0.04 0.04 0.00 -1.62 0.00 0.00 43.42 41.80 3krq n LEU 210 CO 0.00 0.47 0.11 0.61 -1.22 0.00 0.00 177.39 177.36 3krq n GLY 211 N 0.97 -0.51 3.87 -0.72 0.00 -1.21 -4.58 105.19 103.01 3krq n GLY 211 Ca 0.11 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 3krq n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3krq s LEU 212 N -7.15 3.35 0.04 0.99 1.43 -1.26 -3.90 118.68 112.18 3krq s LEU 212 Ca 0.59 1.40 -0.18 0.00 -1.03 0.00 0.00 54.13 54.91 3krq s LEU 212 Cb -0.29 -4.42 -0.06 0.00 0.03 0.00 0.00 46.19 41.46 3krq s LEU 212 CO 0.73 -0.78 0.52 -0.04 0.23 0.00 0.00 176.35 177.00 3krq s MET 213 N -4.91 4.13 0.32 1.70 -1.94 -1.26 -1.42 119.30 115.92 3krq s MET 213 Ca 0.55 0.63 -0.29 0.00 -1.71 0.00 0.00 55.69 54.87 3krq s MET 213 Cb -0.11 -3.24 -0.12 0.00 2.01 0.00 0.00 34.83 33.37 3krq s MET 213 CO 0.49 0.63 1.46 0.00 -0.01 0.00 0.00 175.02 177.58 3krq n ALA 214 N 1.85 1.98 -2.56 3.03 0.00 0.37 -4.63 120.51 120.54 3krq n ALA 214 Ca -0.11 0.37 -0.27 0.00 0.00 0.00 0.00 53.44 53.42 3krq n ALA 214 Cb 0.51 -2.37 -0.09 0.00 0.00 0.00 0.00 19.45 17.50 3krq n ALA 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3krq s VAL 215 N -0.63 2.02 0.18 0.00 -7.23 -1.26 -4.44 120.40 109.04 3krq s VAL 215 Ca 0.59 -1.88 -0.31 0.00 -1.81 0.00 0.00 61.98 58.57 3krq s VAL 215 Cb -0.53 -2.91 -0.09 0.00 0.56 0.00 0.00 36.38 33.41 3krq s VAL 215 CO 0.57 0.00 1.41 0.21 -0.31 0.00 0.00 175.10 176.98 3krq s ASN 216 N -3.81 6.76 0.00 4.85 3.84 -0.34 -4.62 114.94 121.63 3krq s ASN 216 Ca 0.35 2.49 0.23 0.00 0.21 0.00 0.00 52.86 56.14 3krq s ASN 216 Cb 0.07 -2.60 0.13 0.00 -0.55 0.00 0.00 41.25 38.29 3krq s ASN 216 CO 0.18 -0.66 1.19 0.00 -2.79 0.00 0.00 177.10 175.03 3krq n GLN 217 N 3.12 1.72 -0.36 0.43 1.13 -1.26 -4.47 117.38 117.69 3krq n GLN 217 Ca 0.09 -1.41 0.07 0.00 -1.94 0.00 0.00 57.00 53.81 3krq n GLN 217 Cb 0.41 -1.47 0.19 0.00 0.11 0.00 0.00 30.24 29.48 3krq n GLN 217 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3krq n GLU 218 N 0.59 1.86 -3.65 -1.09 1.02 -1.26 -4.99 120.64 113.12 3krq n GLU 218 Ca 0.12 -2.85 -0.03 0.00 -0.02 0.00 0.00 57.16 54.38 3krq n GLU 218 Cb 0.52 -1.66 -0.07 0.00 -0.02 0.00 0.00 31.44 30.22 3krq n GLU 218 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3krq s ALA 219 N -2.98 -2.21 0.09 0.62 0.00 -1.26 -5.17 121.76 110.84 3krq s ALA 219 Ca 0.38 1.71 0.09 0.00 0.00 0.00 0.00 51.96 54.13 3krq s ALA 219 Cb 0.33 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 3krq s ALA 219 CO 0.03 -0.12 -0.23 -1.58 0.00 0.00 0.00 175.76 173.86 3krq s TRP 220 N -0.15 1.96 -0.74 0.00 0.52 -1.26 -4.48 118.94 114.79 3krq s TRP 220 Ca 0.08 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 55.78 3krq s TRP 220 Cb -0.04 -1.11 0.19 0.00 -1.15 0.00 0.00 33.47 31.35 3krq s TRP 220 CO -0.15 0.19 0.58 0.34 0.02 0.00 0.00 176.95 177.94 3krq s ASP 221 N -1.67 5.49 -1.38 2.95 2.15 0.28 -4.70 116.67 119.80 3krq s ASP 221 Ca 0.09 -3.29 -0.08 0.00 0.43 0.00 0.00 52.55 49.70 3krq s ASP 221 Cb -0.10 -1.86 0.01 0.00 -0.30 0.00 0.00 42.92 40.67 3krq s ASP 221 CO 0.04 -0.27 0.40 1.41 -0.17 0.00 0.00 175.17 176.58 3krq n HIS 222 N 2.89 -1.55 0.00 -5.34 8.25 -1.26 0.10 115.22 118.31 3krq n HIS 222 Ca 0.14 0.57 0.00 0.00 -0.26 0.00 0.00 57.72 58.18 3krq n HIS 222 Cb 0.37 -3.32 0.00 0.00 1.12 0.00 0.00 29.99 28.16 3krq n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3krq n GLY 223 N -2.11 2.47 3.88 -1.41 0.00 -1.26 -5.03 105.19 101.73 3krq n GLY 223 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 3krq n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3krq s LEU 224 N 0.00 4.36 0.63 0.99 1.43 0.28 -5.08 118.68 121.30 3krq s LEU 224 Ca 0.00 0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 53.55 3krq s LEU 224 Cb 0.00 -2.80 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 3krq s LEU 224 CO 0.00 0.22 1.10 0.00 0.23 0.00 0.00 176.35 177.90 3krq s ALA 225 N -1.35 2.54 0.14 4.21 0.00 -1.26 0.10 121.76 126.14 3krq s ALA 225 Ca 0.30 0.56 0.09 0.00 0.00 0.00 0.00 51.96 52.91 3krq s ALA 225 Cb -0.13 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3krq s ALA 225 CO 0.18 -1.14 -0.22 0.71 0.00 0.00 0.00 175.76 175.29 3krq s TYR 226 N -2.29 2.00 0.85 0.00 4.12 -1.26 -4.81 117.35 115.96 3krq s TYR 226 Ca 0.67 -0.41 -0.10 0.00 0.02 0.00 0.00 57.07 57.24 3krq s TYR 226 Cb -0.20 -1.04 0.10 0.00 -1.52 0.00 0.00 41.96 39.30 3krq s TYR 226 CO 0.39 0.33 1.11 -0.51 0.02 0.00 0.00 175.55 176.89 3krq s LEU 227 N -2.32 2.84 0.84 -1.29 1.02 -1.26 -1.19 118.68 117.32 3krq s LEU 227 Ca 0.13 1.93 -0.11 0.00 0.02 0.00 0.00 54.13 56.11 3krq s LEU 227 Cb -0.08 -4.46 0.10 0.00 0.02 0.00 0.00 46.19 41.76 3krq s LEU 227 CO 0.06 -2.56 1.09 -2.84 0.02 0.00 0.00 176.35 172.13 3krq s PRO 228 N -4.80 1.71 0.64 1.29 0.02 -1.26 -4.01 135.00 128.59 3krq s PRO 228 Ca 0.64 0.95 -0.11 0.00 0.02 0.00 0.00 61.00 62.49 3krq s PRO 228 Cb -0.20 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.44 3krq s PRO 228 CO 0.57 -1.96 1.04 -0.06 -0.33 0.00 0.00 177.00 176.26 3krq s PHE 229 N -2.94 3.53 0.76 6.54 0.08 -1.26 -0.20 117.98 124.49 3krq s PHE 229 Ca 0.62 1.30 -0.06 0.00 0.12 0.00 0.00 56.93 58.91 3krq s PHE 229 Cb -0.17 -2.76 0.16 0.00 -0.57 0.00 0.00 43.02 39.68 3krq s PHE 229 CO 0.56 -0.80 1.03 -1.71 -0.10 0.00 0.00 175.22 174.21 3krq n ASN 230 N -2.82 0.79 -0.01 1.36 2.85 0.49 -4.35 115.26 113.57 3krq n ASN 230 Ca 0.06 -1.81 0.01 0.00 -0.11 0.00 0.00 54.58 52.73 3krq n ASN 230 Cb 0.54 -0.72 0.01 0.00 1.24 0.00 0.00 39.78 40.85 3krq n ASN 230 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3krq n ASN 231 N -3.25 1.86 -4.86 1.20 2.85 -1.26 -4.88 115.26 106.92 3krq n ASN 231 Ca 0.15 -2.03 -0.31 0.00 -0.11 0.00 0.00 54.58 52.27 3krq n ASN 231 Cb 0.54 -0.05 -0.01 0.00 1.24 0.00 0.00 39.78 41.50 3krq n ASN 231 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3krq s LYS 232 N -1.10 3.76 0.48 1.20 1.02 -1.26 -5.03 119.74 118.80 3krq s LYS 232 Ca 0.03 0.83 -0.22 0.00 0.02 0.00 0.00 55.97 56.63 3krq s LYS 232 Cb 0.03 -2.12 -0.07 0.00 -0.52 0.00 0.00 37.83 35.15 3krq s LYS 232 CO 0.00 -0.42 1.15 0.21 -0.92 0.00 0.00 175.35 175.38 3krq s LYS 233 N -4.64 3.69 -0.55 1.68 2.20 -1.26 -3.99 119.74 116.87 3krq s LYS 233 Ca 0.57 1.73 -0.22 0.00 -0.36 0.00 0.00 55.97 57.69 3krq s LYS 233 Cb -0.10 -2.32 0.03 0.00 -1.51 0.00 0.00 37.83 33.92 3krq s LYS 233 CO 0.43 -0.60 0.64 -2.30 -0.36 0.00 0.00 175.35 173.16 3krq n PRO 234 N -0.65 -1.89 -2.97 4.03 -0.02 -1.26 -5.00 135.00 127.24 3krq n PRO 234 Ca 0.08 1.45 -0.40 0.00 -2.02 0.00 0.00 63.50 62.61 3krq n PRO 234 Cb 0.49 -3.29 -0.04 0.00 -0.02 0.00 0.00 33.50 30.63 3krq n PRO 234 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3krq s SER 235 N -2.20 7.07 0.37 2.55 0.15 -1.26 -4.91 113.70 115.47 3krq s SER 235 Ca 0.24 1.29 0.06 0.00 0.70 0.00 0.00 55.95 58.23 3krq s SER 235 Cb -0.03 -2.45 0.75 0.00 -1.71 0.00 0.00 66.02 62.58 3krq s SER 235 CO 0.84 -0.16 1.97 -0.65 1.20 0.00 0.00 173.24 176.44 3krq h PRO 236 N 6.79 0.72 -0.03 5.44 0.11 -1.93 -1.61 132.00 141.49 3krq h PRO 236 Ca -0.41 -0.04 -0.25 0.00 0.11 0.00 0.00 66.00 65.42 3krq h PRO 236 Cb 1.20 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.16 3krq h PRO 236 CO 0.76 0.48 -0.96 0.00 -0.21 0.00 0.00 178.00 178.07 3krq h GLU 238 N 0.38 0.60 -0.73 0.00 5.08 -1.28 -3.29 114.58 115.35 3krq h GLU 238 Ca -0.10 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 3krq h GLU 238 Cb 1.60 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.80 3krq h GLU 238 CO 0.18 0.85 0.23 0.35 -1.00 0.00 0.00 179.01 179.62 3krq h PHE 239 N 0.51 1.17 0.00 4.33 3.57 -0.85 -1.66 116.94 124.01 3krq h PHE 239 Ca 0.06 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3krq h PHE 239 Cb 0.81 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3krq h PHE 239 CO 0.03 0.92 0.00 0.44 -2.23 0.00 0.00 178.31 177.48 3krq n ILE 240 N -4.28 1.12 -3.24 1.41 -6.64 -0.89 -4.02 119.36 102.82 3krq n ILE 240 Ca 0.06 0.34 -0.03 0.00 -1.77 0.00 0.00 62.75 61.35 3krq n ILE 240 Cb 0.22 -1.22 -0.02 0.00 -1.44 0.00 0.00 39.64 37.18 3krq n ILE 240 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 3krq s ASN 241 N -3.51 -0.95 0.42 7.28 3.84 -0.64 -5.02 114.94 116.36 3krq s ASN 241 Ca 0.04 -0.98 0.30 0.00 0.21 0.00 0.00 52.86 52.42 3krq s ASN 241 Cb 0.07 1.66 1.33 0.00 -0.55 0.00 0.00 41.25 43.77 3krq s ASN 241 CO 0.25 -0.19 1.89 0.71 -2.79 0.00 0.00 177.10 176.97 3krq h THR 242 N 5.00 0.00 0.00 -5.21 1.35 -1.65 -2.75 112.91 109.65 3krq h THR 242 Ca 0.05 -0.27 -0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3krq h THR 242 Cb 1.15 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3krq h THR 242 CO 0.12 0.00 -0.00 0.74 -0.25 0.00 0.00 175.52 176.13 3krq h THR 243 N 0.00 1.63 -0.25 6.82 2.02 -1.96 -3.31 112.91 117.87 3krq h THR 243 Ca 0.00 -1.96 -0.04 0.00 0.77 0.00 0.00 66.41 65.18 3krq h THR 243 Cb 0.32 2.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.67 3krq h THR 243 CO 0.00 0.50 -0.01 0.00 0.37 0.00 0.00 175.52 176.39 3krq h ALA 244 N 0.12 1.53 -4.89 6.16 0.00 -1.90 -3.47 119.26 116.81 3krq h ALA 244 Ca -0.00 -0.16 -0.40 0.00 0.00 0.00 0.00 54.91 54.35 3krq h ALA 244 Cb 0.83 -0.11 0.04 0.00 0.00 0.00 0.00 17.79 18.54 3krq h ALA 244 CO 0.00 0.34 -0.61 2.89 0.00 0.00 0.00 179.25 181.87 3krq n ARG 245 N -4.33 -4.93 -3.61 0.00 1.85 -1.05 -4.96 116.66 99.63 3krq n ARG 245 Ca 0.01 0.80 -0.37 0.00 -1.00 0.00 0.00 57.85 57.29 3krq n ARG 245 Cb 0.21 -5.66 -0.10 0.00 -1.05 0.00 0.00 32.46 25.87 3krq n ARG 245 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3krq s VAL 246 N -3.15 5.33 0.90 8.89 1.01 -1.26 -4.98 120.40 127.14 3krq s VAL 246 Ca 0.37 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 3krq s VAL 246 Cb -0.17 -3.53 0.13 0.00 0.00 0.00 0.00 36.38 32.81 3krq s VAL 246 CO 0.45 0.31 1.09 -2.84 0.00 0.00 0.00 175.10 174.12 3krq s PRO 247 N 1.24 1.25 0.87 2.72 0.02 -1.26 -2.84 135.00 137.00 3krq s PRO 247 Ca 0.09 0.74 -0.12 0.00 0.02 0.00 0.00 61.00 61.73 3krq s PRO 247 Cb -0.14 -1.81 0.11 0.00 0.02 0.00 0.00 34.50 32.68 3krq s PRO 247 CO 0.06 -2.22 1.12 0.00 -0.33 0.00 0.00 177.00 175.63 3krq s PHE 249 N -3.21 3.38 -0.27 0.00 0.40 -1.26 -0.38 117.98 116.63 3krq s PHE 249 Ca 0.63 0.50 -0.05 0.00 -0.60 0.00 0.00 56.93 57.41 3krq s PHE 249 Cb -0.15 -2.32 0.01 0.00 0.51 0.00 0.00 43.02 41.07 3krq s PHE 249 CO 0.54 -0.34 0.04 -1.17 0.70 0.00 0.00 175.22 174.99 3krq s LEU 250 N -4.65 3.58 0.43 -0.37 2.96 0.72 -4.43 118.68 116.92 3krq s LEU 250 Ca 0.48 -0.67 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 3krq s LEU 250 Cb -0.10 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 3krq s LEU 250 CO 0.41 -0.15 0.14 0.00 -1.32 0.00 0.00 176.35 175.43 3krq s ALA 251 N 1.47 3.11 0.33 5.97 0.00 -1.26 -4.31 121.76 127.07 3krq s ALA 251 Ca 0.03 -1.06 0.12 0.00 0.00 0.00 0.00 51.96 51.05 3krq s ALA 251 Cb -0.17 0.72 0.57 0.00 0.00 0.00 0.00 23.12 24.25 3krq s ALA 251 CO 0.01 -0.33 1.74 0.78 0.00 0.00 0.00 175.76 177.96 3krq h GLY 252 N 1.69 0.00 -5.41 0.00 0.00 -1.23 -3.42 103.07 94.70 3krq h GLY 252 Ca -0.34 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.31 3krq h GLY 252 CO 0.55 0.00 -0.59 -0.35 0.00 0.00 0.00 176.54 176.15 3krq s ASP 253 N -6.89 5.46 0.29 0.19 2.15 -0.59 -4.20 116.67 113.07 3krq s ASP 253 Ca -0.02 0.19 0.03 0.00 0.43 0.00 0.00 52.55 53.18 3krq s ASP 253 Cb 0.14 -1.62 0.65 0.00 -0.30 0.00 0.00 42.92 41.78 3krq s ASP 253 CO 0.74 0.37 1.79 0.15 -0.17 0.00 0.00 175.17 178.05 3krq h PHE 254 N 5.26 1.03 -0.05 -5.34 3.57 -1.92 -3.11 116.94 116.38 3krq h PHE 254 Ca -0.50 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3krq h PHE 254 Cb 1.20 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.62 3krq h PHE 254 CO 0.65 0.29 0.00 0.54 -2.23 0.00 0.00 178.31 177.55 3krq n ARG 255 N -4.75 1.31 -0.22 1.11 1.74 -1.26 -4.61 116.66 109.98 3krq n ARG 255 Ca 0.21 -0.47 0.20 0.00 -0.77 0.00 0.00 57.85 57.02 3krq n ARG 255 Cb 0.48 -1.40 0.36 0.00 -1.02 0.00 0.00 32.46 30.89 3krq n ARG 255 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3krq n ALA 256 N -0.37 0.64 -0.47 7.54 0.00 -1.18 -0.62 120.51 126.06 3krq n ALA 256 Ca 0.18 0.70 0.09 0.00 0.00 0.00 0.00 53.44 54.41 3krq n ALA 256 Cb 0.20 -0.66 0.29 0.00 0.00 0.00 0.00 19.45 19.27 3krq n ALA 256 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3krq n SER 257 N -4.61 4.01 -0.22 0.00 7.64 -1.26 -2.11 113.62 117.08 3krq n SER 257 Ca 0.24 -2.24 0.25 0.00 1.01 0.00 0.00 58.87 58.13 3krq n SER 257 Cb 0.81 -0.47 0.63 0.00 -1.01 0.00 0.00 64.21 64.18 3krq n SER 257 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3krq h GLU 258 N 3.49 0.17 -2.87 1.43 4.22 -1.22 -2.49 114.58 117.32 3krq h GLU 258 Ca 0.00 -0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.37 3krq h GLU 258 Cb 1.14 -0.04 -0.16 0.00 0.50 0.00 0.00 28.75 30.19 3krq h GLU 258 CO 0.10 0.11 0.02 1.14 -2.18 0.00 0.00 179.01 178.20 3krq s GLN 259 N -5.18 1.03 0.44 1.92 1.03 -1.26 -1.70 119.66 115.94 3krq s GLN 259 Ca -0.06 -0.30 0.22 0.00 0.04 0.00 0.00 55.36 55.26 3krq s GLN 259 Cb 0.22 0.47 0.99 0.00 0.03 0.00 0.00 33.01 34.72 3krq s GLN 259 CO 0.78 -0.38 1.87 0.97 -2.54 0.00 0.00 175.29 176.00 3krq h ILE 260 N 2.75 0.73 0.00 3.63 2.10 -1.76 -0.38 117.51 124.58 3krq h ILE 260 Ca -0.31 -1.08 0.00 0.00 1.08 0.00 0.00 64.86 64.55 3krq h ILE 260 Cb 1.22 1.68 0.00 0.00 -1.09 0.00 0.00 36.82 38.63 3krq h ILE 260 CO 0.42 0.25 -0.34 -0.07 -1.08 0.00 0.00 178.15 177.32 3krq h LEU 261 N 0.00 0.00 0.14 2.19 3.38 -1.94 -2.31 115.31 116.78 3krq h LEU 261 Ca -0.00 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.66 3krq h LEU 261 Cb 0.66 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.42 3krq h LEU 261 CO 0.03 0.04 -1.03 0.25 0.09 0.00 0.00 178.44 177.82 3krq h LEU 262 N 0.00 0.48 -1.51 1.67 5.85 -1.37 -2.96 115.31 117.47 3krq h LEU 262 Ca 0.00 -0.92 0.02 0.00 0.84 0.00 0.00 57.88 57.82 3krq h LEU 262 Cb 0.81 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3krq h LEU 262 CO 0.00 1.48 0.36 0.00 -0.34 0.00 0.00 178.44 179.94 3krq h ALA 263 N 0.05 1.70 -0.12 1.25 0.00 -0.83 -1.30 119.26 120.01 3krq h ALA 263 Ca -0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3krq h ALA 263 Cb 1.72 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3krq h ALA 263 CO 0.14 0.25 0.06 1.15 0.00 0.00 0.00 179.25 180.85 3krq h THR 264 N 0.66 1.10 -0.21 0.00 2.02 -1.46 0.21 112.91 115.22 3krq h THR 264 Ca 0.21 -0.28 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 3krq h THR 264 Cb 0.04 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3krq h THR 264 CO -0.05 0.09 -0.26 0.00 0.37 0.00 0.00 175.52 175.67 3krq h ALA 265 N 0.95 1.18 0.36 6.16 0.00 -1.24 -0.62 119.26 126.06 3krq h ALA 265 Ca 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3krq h ALA 265 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3krq h ALA 265 CO -0.01 0.53 -0.17 0.45 0.00 0.00 0.00 179.25 180.05 3krq h HIS 266 N 0.35 -0.45 -1.09 0.00 3.86 -0.99 -1.41 115.15 115.41 3krq h HIS 266 Ca 0.05 -0.01 0.35 0.00 -1.16 0.00 0.00 60.37 59.60 3krq h HIS 266 Cb 0.64 0.15 -0.14 0.00 1.06 0.00 0.00 27.41 29.12 3krq h HIS 266 CO 0.02 -0.16 0.66 1.15 0.86 0.00 0.00 177.93 180.46 3krq h THR 267 N -0.72 0.26 -0.21 2.45 2.02 -0.43 -1.27 112.91 115.01 3krq h THR 267 Ca -0.05 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 3krq h THR 267 Cb 0.50 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3krq h THR 267 CO 0.08 0.05 -0.05 0.25 0.37 0.00 0.00 175.52 176.22 3krq h LEU 268 N 0.25 0.41 -0.73 2.58 5.85 -0.55 -2.98 115.31 120.14 3krq h LEU 268 Ca 0.75 -0.37 -0.14 0.00 0.84 0.00 0.00 57.88 58.96 3krq h LEU 268 Cb 1.93 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.83 3krq h LEU 268 CO -0.52 0.68 -0.60 -0.07 -0.34 0.00 0.00 178.44 177.59 3krq h LEU 269 N 0.13 0.12 -0.86 2.25 3.38 -0.19 -2.77 115.31 117.37 3krq h LEU 269 Ca 0.05 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3krq h LEU 269 Cb 0.50 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3krq h LEU 269 CO 0.02 0.70 -0.47 0.25 0.09 0.00 0.00 178.44 179.03 3krq h LEU 270 N 0.08 0.24 -0.48 1.67 5.85 -1.31 -2.38 115.31 118.98 3krq h LEU 270 Ca -0.01 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 3krq h LEU 270 Cb 1.09 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3krq h LEU 270 CO 0.09 0.68 -0.11 0.03 -0.34 0.00 0.00 178.44 178.79 3krq h ARG 271 N 0.18 0.92 -0.82 1.25 3.08 -1.37 -2.94 114.38 114.68 3krq h ARG 271 Ca 0.01 -0.35 0.05 0.00 0.07 0.00 0.00 59.98 59.77 3krq h ARG 271 Cb 0.90 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.85 3krq h ARG 271 CO 0.07 1.00 0.54 1.49 -1.07 0.00 0.00 179.97 182.00 3krq h GLU 272 N 0.77 0.91 0.59 0.04 4.57 -1.17 0.18 114.58 120.47 3krq h GLU 272 Ca 0.12 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3krq h GLU 272 Cb 0.66 -0.21 0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3krq h GLU 272 CO 0.05 0.60 -0.29 1.25 -1.18 0.00 0.00 179.01 179.44 3krq h HIS 273 N 0.94 -0.74 -0.10 0.92 2.76 -1.32 0.08 115.15 117.70 3krq h HIS 273 Ca 0.34 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.48 3krq h HIS 273 Cb 0.16 0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 3krq h HIS 273 CO -0.00 -0.42 -0.02 -0.91 -1.30 0.00 0.00 177.93 175.27 3krq h ASN 274 N -0.91 0.12 -0.38 3.26 4.21 -1.32 0.26 115.58 120.81 3krq h ASN 274 Ca -0.08 -0.01 -0.16 0.00 1.21 0.00 0.00 56.30 57.26 3krq h ASN 274 Cb 0.65 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.81 3krq h ASN 274 CO 0.13 0.17 -0.38 -0.09 -1.29 0.00 0.00 177.43 175.98 3krq h ARG 275 N 0.13 0.93 -0.20 0.81 2.43 -0.44 0.06 114.38 118.10 3krq h ARG 275 Ca 0.03 -0.49 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 3krq h ARG 275 Cb 0.14 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3krq h ARG 275 CO 0.00 1.15 -0.06 -0.07 -1.51 0.00 0.00 179.97 179.48 3krq h LEU 276 N 0.75 0.41 -1.96 3.80 3.38 0.15 -1.84 115.31 119.99 3krq h LEU 276 Ca 0.06 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3krq h LEU 276 Cb 0.97 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3krq h LEU 276 CO 0.09 0.69 -0.05 0.00 0.09 0.00 0.00 178.44 179.26 3krq h ALA 277 N 0.73 1.84 0.23 1.53 0.00 -0.40 -0.10 119.26 123.08 3krq h ALA 277 Ca 0.05 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 3krq h ALA 277 Cb 0.52 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.34 3krq h ALA 277 CO 0.02 0.06 -1.41 0.00 0.00 0.00 0.00 179.25 177.93 3krq h ARG 278 N 0.00 0.55 0.00 0.00 3.08 -0.80 -2.88 114.38 114.33 3krq h ARG 278 Ca -0.00 -0.90 0.00 0.00 0.07 0.00 0.00 59.98 59.15 3krq h ARG 278 Cb 0.09 0.33 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3krq h ARG 278 CO 0.01 1.43 0.00 0.93 -1.07 0.00 0.00 179.97 181.26 3krq h GLU 279 N 0.15 0.00 0.00 0.04 4.39 -0.95 -2.61 114.58 115.60 3krq h GLU 279 Ca -0.24 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.40 3krq h GLU 279 Cb 2.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.74 3krq h GLU 279 CO 0.27 0.00 -0.60 -0.07 -1.16 0.00 0.00 179.01 177.44 3krq h LEU 280 N 0.00 0.00 0.21 1.33 3.38 -0.99 -2.73 115.31 116.52 3krq h LEU 280 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 3krq h LEU 280 Cb 0.53 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.30 3krq h LEU 280 CO 0.00 0.24 -1.56 0.50 0.09 0.00 0.00 178.44 177.71 3krq h LYS 281 N 0.00 0.45 -0.92 1.13 1.63 -1.27 -1.02 116.57 116.57 3krq h LYS 281 Ca -0.03 -0.76 -0.01 0.00 -0.85 0.00 0.00 60.65 58.99 3krq h LYS 281 Cb 1.21 0.28 -0.04 0.00 -0.60 0.00 0.00 32.23 33.08 3krq h LYS 281 CO 0.03 1.36 0.52 -0.22 -3.45 0.00 0.00 179.45 177.68 3krq h LYS 282 N 0.12 1.27 0.00 1.90 3.64 -1.53 -2.61 116.57 119.36 3krq h LYS 282 Ca -0.27 -0.14 -0.17 0.00 -1.27 0.00 0.00 60.65 58.80 3krq h LYS 282 Cb 2.12 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 33.66 3krq h LYS 282 CO 0.23 0.92 -0.95 -0.07 -2.27 0.00 0.00 179.45 177.31 3krq h LEU 283 N 1.28 0.00 -6.55 5.20 3.38 -1.53 -3.42 115.31 113.67 3krq h LEU 283 Ca 0.33 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.71 3krq h LEU 283 Cb 0.01 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.37 3krq h LEU 283 CO -0.05 0.72 -0.88 0.20 0.09 0.00 0.00 178.44 178.52 3krq s ASN 284 N -6.38 2.55 0.08 -0.43 -0.87 -0.39 -4.96 114.94 104.54 3krq s ASN 284 Ca 0.01 -2.53 0.20 0.00 -1.57 0.00 0.00 52.86 48.97 3krq s ASN 284 Cb 0.09 -0.48 0.82 0.00 -0.02 0.00 0.00 41.25 41.66 3krq s ASN 284 CO 0.79 -0.26 1.62 -2.65 -2.57 0.00 0.00 177.10 174.03 3krq n PRO 285 N 3.59 0.07 -0.05 -0.60 -0.02 -1.03 -2.98 135.00 133.98 3krq n PRO 285 Ca 0.18 0.25 -0.07 0.00 -2.02 0.00 0.00 63.50 61.83 3krq n PRO 285 Cb 0.40 -1.61 -0.14 0.00 -0.02 0.00 0.00 33.50 32.13 3krq n PRO 285 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3krq n HIS 286 N -1.74 0.53 -1.67 6.00 1.44 -1.26 -4.93 115.22 113.59 3krq n HIS 286 Ca 0.04 0.19 -0.45 0.00 -2.01 0.00 0.00 57.72 55.49 3krq n HIS 286 Cb 0.23 -1.06 -0.03 0.00 0.12 0.00 0.00 29.99 29.24 3krq n HIS 286 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 3krq n TRP 287 N -2.87 2.27 -2.09 -1.40 7.02 -1.16 -4.98 117.44 114.23 3krq n TRP 287 Ca -0.22 0.33 -0.28 0.00 -1.02 0.00 0.00 57.50 56.31 3krq n TRP 287 Cb 1.05 -2.51 0.15 0.00 -2.42 0.00 0.00 31.31 27.58 3krq n TRP 287 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3krq s ASN 288 N 0.65 3.61 0.16 -0.99 2.20 -1.26 -4.80 114.94 114.50 3krq s ASN 288 Ca 0.74 0.18 -0.19 0.00 -0.94 0.00 0.00 52.86 52.65 3krq s ASN 288 Cb -0.66 -0.38 0.07 0.00 -2.00 0.00 0.00 41.25 38.28 3krq s ASN 288 CO 0.43 -2.40 1.66 1.23 -2.94 0.00 0.00 177.10 175.07 3krq h GLY 289 N -1.28 0.12 1.13 0.45 0.00 -1.21 -0.83 103.07 101.46 3krq h GLY 289 Ca -0.43 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3krq h GLY 289 CO 0.42 -0.17 0.48 -2.09 0.00 0.00 0.00 176.54 175.18 3krq h GLU 290 N -0.09 1.15 -0.41 4.80 4.57 -1.95 0.12 114.58 122.77 3krq h GLU 290 Ca 0.17 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 58.13 3krq h GLU 290 Cb 0.35 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3krq h GLU 290 CO -0.39 0.82 -0.16 -0.22 -1.18 0.00 0.00 179.01 177.88 3krq h LYS 291 N 1.16 0.77 0.14 1.92 1.63 -1.80 0.12 116.57 120.51 3krq h LYS 291 Ca 0.30 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3krq h LYS 291 Cb -0.01 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 3krq h LYS 291 CO -0.05 0.88 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.70 3krq h LEU 292 N 0.69 -0.16 -0.04 5.20 3.38 -0.67 -2.30 115.31 121.41 3krq h LEU 292 Ca 0.11 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3krq h LEU 292 Cb 0.65 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3krq h LEU 292 CO 0.05 0.22 -0.36 0.22 0.09 0.00 0.00 178.44 178.66 3krq h TYR 293 N -0.57 -1.07 -0.30 1.13 3.20 -0.64 -1.37 116.97 117.36 3krq h TYR 293 Ca -0.02 0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.97 3krq h TYR 293 Cb 0.44 0.47 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 3krq h TYR 293 CO 0.04 -0.38 0.21 1.96 -1.64 0.00 0.00 178.16 178.36 3krq h GLN 294 N -0.42 0.01 0.00 1.82 1.08 -1.06 0.16 115.11 116.70 3krq h GLN 294 Ca 0.01 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 3krq h GLN 294 Cb 0.47 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3krq h GLN 294 CO -0.27 0.01 -0.83 1.49 -0.95 0.00 0.00 178.83 178.28 3krq h GLU 295 N 0.01 0.00 0.03 1.46 4.57 -1.11 -1.55 114.58 117.99 3krq h GLU 295 Ca 0.14 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.22 3krq h GLU 295 Cb 0.55 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.15 3krq h GLU 295 CO -0.00 0.04 -0.41 0.00 -1.18 0.00 0.00 179.01 177.46 3krq h ALA 296 N 1.93 0.00 -0.67 2.92 0.00 -0.44 -2.78 119.26 120.22 3krq h ALA 296 Ca -0.02 -0.55 0.04 0.00 0.00 0.00 0.00 54.91 54.39 3krq h ALA 296 Cb 1.07 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3krq h ALA 296 CO 0.01 0.19 0.44 -0.09 0.00 0.00 0.00 179.25 179.80 3krq h ARG 297 N -0.48 0.76 0.22 0.00 2.43 -0.78 0.13 114.38 116.65 3krq h ARG 297 Ca -0.06 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3krq h ARG 297 Cb 1.22 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3krq h ARG 297 CO 0.08 0.51 -0.10 -0.22 -1.51 0.00 0.00 179.97 178.72 3krq h LYS 298 N 0.79 -0.28 -0.52 0.20 3.64 -1.25 -2.62 116.57 116.53 3krq h LYS 298 Ca 0.27 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3krq h LYS 298 Cb 0.10 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3krq h LYS 298 CO -0.08 -0.11 0.32 0.82 -2.27 0.00 0.00 179.45 178.13 3krq h ILE 299 N -0.39 1.15 -0.97 2.00 2.04 -1.16 -2.46 117.51 117.72 3krq h ILE 299 Ca -0.03 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.52 3krq h ILE 299 Cb 0.30 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3krq h ILE 299 CO 0.05 0.15 0.64 0.25 0.00 0.00 0.00 178.15 179.24 3krq h LEU 300 N 0.69 1.11 -0.62 1.44 5.85 -0.72 -0.80 115.31 122.27 3krq h LEU 300 Ca 0.19 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3krq h LEU 300 Cb -0.03 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 3krq h LEU 300 CO -0.04 0.81 0.14 1.23 -0.34 0.00 0.00 178.44 180.24 3krq h GLY 301 N 1.31 1.07 1.02 3.75 0.00 -1.16 -2.04 103.07 107.03 3krq h GLY 301 Ca 0.35 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3krq h GLY 301 CO -0.08 0.63 0.50 0.00 0.00 0.00 0.00 176.54 177.59 3krq h ALA 302 N 1.04 1.13 -0.21 3.60 0.00 -0.95 -0.44 119.26 123.43 3krq h ALA 302 Ca 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3krq h ALA 302 Cb 0.37 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3krq h ALA 302 CO 0.00 0.63 0.12 0.35 0.00 0.00 0.00 179.25 180.35 3krq h PHE 303 N 1.23 0.28 -0.47 0.00 3.57 -0.83 -0.96 116.94 119.77 3krq h PHE 303 Ca 0.31 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.83 3krq h PHE 303 Cb 0.01 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3krq h PHE 303 CO 0.01 0.24 0.28 0.82 -2.23 0.00 0.00 178.31 177.42 3krq h ILE 304 N 0.24 1.05 -0.32 1.41 2.04 -0.81 -0.82 117.51 120.29 3krq h ILE 304 Ca 0.07 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3krq h ILE 304 Cb 0.05 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3krq h ILE 304 CO -0.01 0.10 0.20 1.56 0.00 0.00 0.00 178.15 180.00 3krq h GLN 305 N 0.55 0.43 -0.06 2.37 4.20 -0.84 -1.70 115.11 120.07 3krq h GLN 305 Ca 0.19 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3krq h GLN 305 Cb 0.02 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3krq h GLN 305 CO -0.09 0.31 0.02 0.82 -0.67 0.00 0.00 178.83 179.22 3krq h ILE 306 N 0.42 1.17 -0.91 2.54 2.04 -0.74 0.15 117.51 122.18 3krq h ILE 306 Ca 0.12 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.47 3krq h ILE 306 Cb -0.01 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 3krq h ILE 306 CO -0.02 0.14 0.60 0.40 0.00 0.00 0.00 178.15 179.27 3krq h ILE 307 N -0.11 1.22 0.18 -0.67 1.08 -1.14 0.20 117.51 118.26 3krq h ILE 307 Ca 0.02 -0.42 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 3krq h ILE 307 Cb 0.22 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 33.86 3krq h ILE 307 CO -0.00 0.22 -0.08 0.74 -0.69 0.00 0.00 178.15 178.34 3krq h THR 308 N 1.21 0.94 0.06 -0.27 2.02 -1.08 0.15 112.91 115.94 3krq h THR 308 Ca 0.34 -0.76 -0.27 0.00 0.77 0.00 0.00 66.41 66.49 3krq h THR 308 Cb -0.11 1.38 0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3krq h THR 308 CO -0.08 0.17 -1.11 -0.26 0.37 0.00 0.00 175.52 174.61 3krq h PHE 309 N -0.62 0.80 0.06 3.16 -1.00 -0.56 0.27 116.94 119.04 3krq h PHE 309 Ca -0.02 -0.48 -0.11 0.00 2.81 0.00 0.00 57.97 60.16 3krq h PHE 309 Cb 0.46 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.95 3krq h PHE 309 CO 0.04 1.32 -0.54 -0.09 -1.61 0.00 0.00 178.31 177.44 3krq h ARG 310 N 0.25 0.12 0.03 1.51 2.43 -0.74 -3.39 114.38 114.59 3krq h ARG 310 Ca -0.13 -0.21 -0.38 0.00 -0.81 0.00 0.00 59.98 58.44 3krq h ARG 310 Cb 1.78 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 31.35 3krq h ARG 310 CO 0.20 1.10 -2.23 -0.25 -1.51 0.00 0.00 179.97 177.28 3krq n ASP 311 N -4.36 2.00 -0.03 -3.80 8.00 -0.71 -4.62 116.55 113.04 3krq n ASP 311 Ca -0.15 0.11 -0.06 0.00 0.71 0.00 0.00 54.79 55.40 3krq n ASP 311 Cb 0.66 -0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 3krq n ASP 311 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3krq h TYR 312 N -0.29 -0.06 -0.54 1.24 3.20 -0.45 -3.39 116.97 116.68 3krq h TYR 312 Ca -0.54 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.34 3krq h TYR 312 Cb 1.81 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 40.07 3krq h TYR 312 CO 0.03 0.31 0.36 -0.07 -1.64 0.00 0.00 178.16 177.14 3krq h LEU 313 N -0.99 0.60 -1.40 2.82 3.38 -0.67 -2.73 115.31 116.32 3krq h LEU 313 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3krq h LEU 313 Cb 0.39 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3krq h LEU 313 CO 0.01 0.43 0.00 -0.65 0.09 0.00 0.00 178.44 178.32 3krq h PRO 314 N 0.71 0.00 0.00 1.13 0.11 -1.77 -0.84 132.00 131.34 3krq h PRO 314 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3krq h PRO 314 Cb -0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3krq h PRO 314 CO -0.05 0.00 -0.00 0.44 -0.21 0.00 0.00 178.00 178.18 3krq n ILE 315 N -2.31 0.71 -0.10 4.15 -5.35 -1.04 -2.00 119.36 113.41 3krq n ILE 315 Ca -0.01 -0.72 -0.17 0.00 -0.27 0.00 0.00 62.75 61.58 3krq n ILE 315 Cb 0.07 0.64 -0.07 0.00 -1.74 0.00 0.00 39.64 38.54 3krq n ILE 315 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3krq n VAL 316 N -0.36 1.50 0.06 7.28 0.31 -0.87 -4.04 118.33 122.20 3krq n VAL 316 Ca 0.00 -0.03 -0.19 0.00 -0.01 0.00 0.00 64.34 64.12 3krq n VAL 316 Cb 0.34 -2.15 -0.09 0.00 -0.91 0.00 0.00 33.84 31.02 3krq n VAL 316 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3krq h LEU 317 N -1.00 0.81 0.00 7.52 4.07 -1.38 1.06 115.31 126.39 3krq h LEU 317 Ca -0.29 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.01 3krq h LEU 317 Cb 1.13 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.62 3krq h LEU 317 CO -0.17 1.46 0.00 0.61 -1.08 0.00 0.00 178.44 179.26 3krq n GLY 318 N 1.10 1.75 0.28 0.83 0.00 -0.85 -3.17 105.19 105.13 3krq n GLY 318 Ca -0.10 -0.53 0.18 0.00 0.00 0.00 0.00 46.02 45.57 3krq n GLY 318 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3krq h SER 319 N 4.45 0.00 0.24 1.61 4.64 -0.56 -1.77 113.55 122.16 3krq h SER 319 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3krq h SER 319 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3krq h SER 319 CO 0.00 0.00 -0.21 -0.62 -0.87 0.00 0.00 176.83 175.13 3krq n GLU 320 N -2.90 0.88 0.22 4.77 -0.58 -1.19 -4.32 120.64 117.52 3krq n GLU 320 Ca -0.01 -0.48 -0.16 0.00 -0.42 0.00 0.00 57.16 56.09 3krq n GLU 320 Cb 0.16 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.46 3krq n GLU 320 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 3krq h MET 321 N 1.17 -0.78 0.00 3.49 4.05 -1.49 -1.38 114.93 119.99 3krq h MET 321 Ca 0.00 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3krq h MET 321 Cb 0.48 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 3krq h MET 321 CO 0.00 -0.52 0.00 1.04 0.23 0.00 0.00 176.91 177.66 3krq n GLN 322 N -5.50 0.16 -0.05 0.39 6.02 -1.26 -0.16 117.38 116.98 3krq n GLN 322 Ca -0.10 0.15 -0.10 0.00 -0.01 0.00 0.00 57.00 56.94 3krq n GLN 322 Cb 0.40 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.02 3krq n GLN 322 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3krq n LYS 323 N -1.20 0.66 -0.08 -1.09 4.81 -0.55 -4.62 118.16 116.10 3krq n LYS 323 Ca 0.04 0.19 -0.11 0.00 -0.87 0.00 0.00 58.31 57.57 3krq n LYS 323 Cb 0.05 -1.70 -0.08 0.00 0.02 0.00 0.00 35.03 33.32 3krq n LYS 323 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 3krq n TRP 324 N -2.97 0.00 -3.79 5.64 7.02 -0.79 -4.82 117.44 117.73 3krq n TRP 324 Ca -0.23 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 55.92 3krq n TRP 324 Cb 1.09 -0.64 -0.10 0.00 -2.42 0.00 0.00 31.31 29.24 3krq n TRP 324 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3krq s ILE 325 N -2.33 3.51 1.06 -0.99 1.01 0.78 -4.71 121.20 119.53 3krq s ILE 325 Ca -0.20 -3.81 -0.13 0.00 0.00 0.00 0.00 60.65 56.51 3krq s ILE 325 Cb 0.05 -3.26 0.22 0.00 0.01 0.00 0.00 42.46 39.49 3krq s ILE 325 CO 0.40 -0.99 1.09 -2.84 0.00 0.00 0.00 174.94 172.60 3krq s PRO 326 N -1.05 -0.06 0.09 2.79 0.02 -1.26 -4.39 135.00 131.13 3krq s PRO 326 Ca 0.23 0.44 -0.36 0.00 0.02 0.00 0.00 61.00 61.33 3krq s PRO 326 Cb -0.11 -1.69 -0.17 0.00 0.02 0.00 0.00 34.50 32.56 3krq s PRO 326 CO -0.11 -3.05 1.31 -2.30 -0.33 0.00 0.00 177.00 172.53 3krq n PRO 327 N -4.38 1.10 -1.74 5.54 -0.02 -1.26 -4.86 135.00 129.37 3krq n PRO 327 Ca 0.06 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 3krq n PRO 327 Cb 0.57 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 3krq n PRO 327 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3krq s TYR 328 N 0.40 1.83 -0.20 6.00 5.04 -1.26 -4.90 117.35 124.26 3krq s TYR 328 Ca 0.84 -0.14 0.16 0.00 -2.44 0.00 0.00 57.07 55.48 3krq s TYR 328 Cb -0.96 -4.16 0.62 0.00 0.35 0.00 0.00 41.96 37.81 3krq s TYR 328 CO 0.48 -4.96 1.53 1.04 -1.34 0.00 0.00 175.55 172.30 3krq n GLN 329 N 6.50 3.53 0.00 4.97 1.13 -1.26 -5.08 117.38 127.17 3krq n GLN 329 Ca 0.18 -2.95 0.00 0.00 -1.94 0.00 0.00 57.00 52.29 3krq n GLN 329 Cb 0.40 -1.98 0.00 0.00 0.11 0.00 0.00 30.24 28.77 3krq n GLN 329 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3krq n GLY 330 N -0.17 2.26 3.68 1.08 0.00 -1.26 -4.98 105.19 105.79 3krq n GLY 330 Ca 0.23 -1.88 -0.47 0.00 0.00 0.00 0.00 46.02 43.91 3krq n GLY 330 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3krq n TYR 331 N 1.91 2.32 -4.03 1.61 9.36 -1.26 -4.90 117.16 122.17 3krq n TYR 331 Ca 0.00 0.07 -0.33 0.00 3.32 0.00 0.00 57.90 60.96 3krq n TYR 331 Cb 0.00 -2.63 -0.15 0.00 -0.63 0.00 0.00 39.34 35.93 3krq n TYR 331 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3krq s ASN 332 N 3.00 4.44 0.00 2.98 3.84 -0.53 -5.00 114.94 123.68 3krq s ASN 332 Ca 0.88 -1.27 0.15 0.00 0.21 0.00 0.00 52.86 52.83 3krq s ASN 332 Cb -0.68 -1.59 0.91 0.00 -0.55 0.00 0.00 41.25 39.34 3krq s ASN 332 CO 0.46 -0.19 1.50 -0.46 -2.79 0.00 0.00 177.10 175.62 3krq n ASN 333 N 4.51 0.00 0.09 -4.21 0.23 -1.26 -3.07 115.26 111.55 3krq n ASN 333 Ca -0.15 -1.29 0.12 0.00 -0.53 0.00 0.00 54.58 52.74 3krq n ASN 333 Cb 0.43 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.27 3krq n ASN 333 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3krq h SER 334 N 0.00 0.00 -4.07 0.53 0.02 -1.94 -3.47 113.55 104.62 3krq h SER 334 Ca 0.00 -0.11 -0.46 0.00 -0.84 0.00 0.00 61.79 60.38 3krq h SER 334 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 3krq h SER 334 CO 0.00 0.06 0.37 -0.69 -1.14 0.00 0.00 176.83 175.43 3krq s VAL 335 N -3.23 4.02 -0.38 2.27 1.01 -1.17 -5.03 120.40 117.88 3krq s VAL 335 Ca 0.05 1.25 -0.18 0.00 0.00 0.00 0.00 61.98 63.09 3krq s VAL 335 Cb 0.11 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.99 3krq s VAL 335 CO 0.73 -0.28 0.50 -0.62 0.00 0.00 0.00 175.10 175.43 3krq s ASP 336 N -2.08 6.27 0.10 3.32 -1.08 -1.26 -4.81 116.67 117.12 3krq s ASP 336 Ca 0.65 -0.24 -0.31 0.00 -0.52 0.00 0.00 52.55 52.13 3krq s ASP 336 Cb -0.14 -2.26 -0.13 0.00 -1.46 0.00 0.00 42.92 38.94 3krq s ASP 336 CO 0.18 -0.53 1.62 -0.65 0.52 0.00 0.00 175.17 176.30 3krq h PRO 337 N 8.58 -0.69 -0.02 4.34 0.11 -1.83 -3.43 132.00 139.07 3krq h PRO 337 Ca -0.27 0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.88 3krq h PRO 337 Cb 1.12 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3krq h PRO 337 CO 0.79 -0.46 0.00 0.54 -0.21 0.00 0.00 178.00 178.66 3krq n ARG 338 N -5.45 0.00 -2.70 1.05 1.74 -1.26 -4.28 116.66 105.75 3krq n ARG 338 Ca -0.10 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.56 3krq n ARG 338 Cb 0.35 -0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.76 3krq n ARG 338 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3krq s ILE 339 N -0.00 4.84 0.73 0.55 -1.09 -1.26 -4.85 121.20 120.12 3krq s ILE 339 Ca 0.00 2.05 -0.11 0.00 -2.23 0.00 0.00 60.65 60.36 3krq s ILE 339 Cb -0.00 -4.32 0.03 0.00 -1.58 0.00 0.00 42.46 36.59 3krq s ILE 339 CO 0.00 0.12 1.10 -0.94 -1.23 0.00 0.00 174.94 173.99 3krq s SER 340 N 1.03 5.16 0.10 3.58 1.04 -1.26 -1.91 113.70 121.44 3krq s SER 340 Ca 0.51 1.15 -0.16 0.00 0.48 0.00 0.00 55.95 57.93 3krq s SER 340 Cb -0.20 -1.92 -0.07 0.00 0.10 0.00 0.00 66.02 63.92 3krq s SER 340 CO 0.25 -1.53 1.47 -1.13 0.98 0.00 0.00 173.24 173.29 3krq h ASN 341 N -0.78 0.62 -0.11 7.02 -0.73 -1.33 -3.18 115.58 117.09 3krq h ASN 341 Ca -0.45 -0.40 -0.03 0.00 1.87 0.00 0.00 56.30 57.29 3krq h ASN 341 Cb 1.26 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.67 3krq h ASN 341 CO 0.63 0.88 -0.00 1.62 -0.37 0.00 0.00 177.43 180.18 3krq h VAL 342 N 0.36 1.14 -1.01 2.57 3.04 -1.94 -2.70 116.25 117.72 3krq h VAL 342 Ca 0.07 -0.55 0.02 0.00 -1.01 0.00 0.00 66.70 65.23 3krq h VAL 342 Cb 0.64 0.99 -0.05 0.00 -2.01 0.00 0.00 31.29 30.85 3krq h VAL 342 CO 0.04 0.18 0.67 0.15 -1.01 0.00 0.00 177.57 177.60 3krq h PHE 343 N 0.31 1.26 0.00 3.17 3.57 -1.91 -0.74 116.94 122.60 3krq h PHE 343 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3krq h PHE 343 Cb 0.22 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 38.54 3krq h PHE 343 CO 0.00 0.77 0.00 0.25 -2.23 0.00 0.00 178.31 177.10 3krq n THR 344 N -4.40 1.71 -0.08 4.41 -2.24 -1.02 -0.93 114.28 111.73 3krq n THR 344 Ca 0.13 0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 62.23 3krq n THR 344 Cb 0.04 -1.37 -0.09 0.00 -2.10 0.00 0.00 70.33 66.82 3krq n THR 344 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3krq n PHE 345 N -1.49 0.00 -0.37 4.78 3.01 -0.45 -4.40 117.46 118.55 3krq n PHE 345 Ca 0.01 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.49 3krq n PHE 345 Cb 0.04 -0.66 0.16 0.00 -0.01 0.00 0.00 39.48 39.01 3krq n PHE 345 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3krq h ALA 346 N 0.17 1.36 0.00 4.37 0.00 -0.49 -1.65 119.26 123.02 3krq h ALA 346 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3krq h ALA 346 Cb 1.66 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3krq h ALA 346 CO -0.04 0.46 0.00 0.34 0.00 0.00 0.00 179.25 180.01 3krq n PHE 347 N -4.50 0.46 0.94 0.00 -0.00 -0.11 -2.74 117.46 111.52 3krq n PHE 347 Ca 0.15 0.17 0.00 0.00 -0.00 0.00 0.00 57.45 57.77 3krq n PHE 347 Cb 0.16 -0.78 0.00 0.00 -0.00 0.00 0.00 39.48 38.86 3krq n PHE 347 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3krq n ARG 348 N -1.91 0.58 0.29 -4.13 1.74 -0.62 -3.00 116.66 109.61 3krq n ARG 348 Ca 0.03 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.30 3krq n ARG 348 Cb 0.24 -1.11 0.78 0.00 -1.02 0.00 0.00 32.46 31.35 3krq n ARG 348 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3krq h PHE 349 N 0.16 0.00 -0.21 -1.55 -5.15 -1.70 -2.73 116.94 105.76 3krq h PHE 349 Ca 0.00 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.79 3krq h PHE 349 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.27 3krq h PHE 349 CO 0.00 0.00 0.14 0.78 -2.00 0.00 0.00 178.31 177.24 3krq h GLY 350 N 1.69 0.20 1.53 6.09 0.00 -1.84 -2.17 103.07 108.57 3krq h GLY 350 Ca -0.00 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.30 3krq h GLY 350 CO 0.00 0.07 0.19 0.45 0.00 0.00 0.00 176.54 177.25 3krq h HIS 351 N 0.18 0.00 -0.10 5.60 3.86 -1.78 0.15 115.15 123.07 3krq h HIS 351 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3krq h HIS 351 Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3krq h HIS 351 CO -0.00 0.00 0.00 -1.33 0.86 0.00 0.00 177.93 177.46 3krq n MET 352 N -3.68 1.78 0.00 2.45 2.81 -0.82 -3.60 117.12 116.07 3krq n MET 352 Ca 0.01 -1.15 0.07 0.00 -1.81 0.00 0.00 57.70 54.82 3krq n MET 352 Cb 0.31 -1.45 0.03 0.00 -0.71 0.00 0.00 33.22 31.40 3krq n MET 352 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3krq n GLU 353 N 0.38 1.51 -2.84 0.03 1.02 0.53 -3.79 120.64 117.49 3krq n GLU 353 Ca 0.18 -1.05 -0.42 0.00 -0.02 0.00 0.00 57.16 55.85 3krq n GLU 353 Cb 0.37 -1.26 -0.04 0.00 -0.02 0.00 0.00 31.44 30.50 3krq n GLU 353 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3krq s VAL 354 N -1.58 4.82 0.82 2.62 1.01 -1.18 -0.36 120.40 126.54 3krq s VAL 354 Ca 0.15 1.70 -0.09 0.00 0.00 0.00 0.00 61.98 63.74 3krq s VAL 354 Cb 0.12 -4.17 0.13 0.00 0.00 0.00 0.00 36.38 32.46 3krq s VAL 354 CO 0.30 -0.05 1.14 -2.16 0.00 0.00 0.00 175.10 174.33 3krq s PRO 355 N 2.61 1.46 0.21 2.72 0.04 -1.26 -4.55 135.00 136.23 3krq s PRO 355 Ca 0.39 -0.47 0.25 0.00 0.04 0.00 0.00 61.00 61.21 3krq s PRO 355 Cb -0.16 -2.06 0.88 0.00 0.04 0.00 0.00 34.50 33.20 3krq s PRO 355 CO 0.09 -1.77 1.76 -1.13 0.04 0.00 0.00 177.00 176.00 3krq n SER 356 N -3.26 0.72 -4.19 6.66 3.41 -1.26 -4.83 113.62 110.87 3krq n SER 356 Ca 0.12 0.60 -0.12 0.00 -0.26 0.00 0.00 58.87 59.21 3krq n SER 356 Cb 0.60 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.67 3krq n SER 356 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3krq s THR 357 N -3.15 0.36 -0.01 6.66 -4.23 -1.26 -0.69 115.64 113.32 3krq s THR 357 Ca 0.09 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 3krq s THR 357 Cb 0.12 -2.10 -0.00 0.00 1.34 0.00 0.00 72.50 71.86 3krq s THR 357 CO 0.53 -0.45 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.42 3krq s VAL 358 N -3.87 0.43 0.23 2.29 1.01 -0.64 -4.82 120.40 115.03 3krq s VAL 358 Ca 0.24 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 62.10 3krq s VAL 358 Cb 0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 3krq s VAL 358 CO 0.03 0.13 -0.10 -0.44 0.00 0.00 0.00 175.10 174.72 3krq s SER 359 N -0.05 4.16 -0.16 3.32 0.01 -1.26 -0.65 113.70 119.07 3krq s SER 359 Ca 0.01 -0.70 -0.02 0.00 1.31 0.00 0.00 55.95 56.55 3krq s SER 359 Cb -0.03 -0.65 -0.02 0.00 0.21 0.00 0.00 66.02 65.54 3krq s SER 359 CO -0.00 0.06 -0.08 -0.13 0.41 0.00 0.00 173.24 173.50 3krq s ARG 360 N -3.19 3.47 0.10 12.44 3.00 -0.01 -4.37 118.95 130.37 3krq s ARG 360 Ca 0.27 -0.62 0.09 0.00 0.00 0.00 0.00 55.73 55.48 3krq s ARG 360 Cb -0.07 -2.80 -0.04 0.00 0.00 0.00 0.00 34.95 32.04 3krq s ARG 360 CO 0.16 0.12 -0.23 -0.51 0.00 0.00 0.00 175.30 174.85 3krq s LEU 361 N 0.62 2.45 0.63 2.53 1.43 -0.80 -1.47 118.68 124.07 3krq s LEU 361 Ca -0.05 -0.61 0.07 0.00 -1.03 0.00 0.00 54.13 52.51 3krq s LEU 361 Cb -0.15 -1.38 0.11 0.00 0.03 0.00 0.00 46.19 44.80 3krq s LEU 361 CO 0.03 0.21 0.87 1.51 0.23 0.00 0.00 176.35 179.20 3krq s ASP 362 N -1.83 4.82 0.44 2.29 1.47 0.77 -4.25 116.67 120.39 3krq s ASP 362 Ca 0.15 -0.80 0.31 0.00 1.18 0.00 0.00 52.55 53.39 3krq s ASP 362 Cb -0.10 0.37 1.46 0.00 -0.34 0.00 0.00 42.92 44.30 3krq s ASP 362 CO 0.06 -1.56 1.60 -0.33 0.68 0.00 0.00 175.17 175.63 3krq h GLU 363 N -0.06 0.05 -0.66 2.11 5.08 -1.97 1.80 114.58 120.94 3krq h GLU 363 Ca -0.30 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3krq h GLU 363 Cb 1.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3krq h GLU 363 CO 0.39 0.03 0.00 0.09 -1.00 0.00 0.00 179.01 178.53 3krq n ASN 364 N -4.71 3.95 -3.87 1.42 4.13 -1.26 -4.87 115.26 110.05 3krq n ASN 364 Ca 0.39 -2.48 -0.30 0.00 1.68 0.00 0.00 54.58 53.87 3krq n ASN 364 Cb 1.49 -0.56 0.02 0.00 -1.54 0.00 0.00 39.78 39.20 3krq n ASN 364 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3krq n TYR 365 N 0.61 -2.25 -4.33 3.10 4.01 0.61 -4.99 117.16 113.92 3krq n TYR 365 Ca 0.19 0.87 -0.25 0.00 -0.16 0.00 0.00 57.90 58.55 3krq n TYR 365 Cb 0.79 -3.90 -0.08 0.00 -0.31 0.00 0.00 39.34 35.84 3krq n TYR 365 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3krq s GLN 366 N -6.58 2.09 0.17 -0.72 -1.52 -1.25 -4.84 119.66 107.02 3krq s GLN 366 Ca 0.65 -1.75 -0.32 0.00 -1.95 0.00 0.00 55.36 51.99 3krq s GLN 366 Cb -0.33 -1.93 -0.17 0.00 -0.22 0.00 0.00 33.01 30.36 3krq s GLN 366 CO 0.80 0.12 0.91 -2.30 -0.25 0.00 0.00 175.29 174.57 3krq n PRO 367 N -0.97 0.62 -3.64 2.91 -0.02 -1.26 -0.16 135.00 132.48 3krq n PRO 367 Ca -0.04 0.22 -0.39 0.00 -2.02 0.00 0.00 63.50 61.27 3krq n PRO 367 Cb 0.62 -1.53 -0.12 0.00 -0.02 0.00 0.00 33.50 32.45 3krq n PRO 367 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3krq s TRP 368 N -0.57 3.18 0.01 6.00 -0.00 -0.54 -4.46 118.94 122.56 3krq s TRP 368 Ca 0.71 -0.51 0.00 0.00 -0.00 0.00 0.00 56.10 56.30 3krq s TRP 368 Cb -0.92 -2.37 0.00 0.00 -0.00 0.00 0.00 33.47 30.18 3krq s TRP 368 CO 0.56 -0.43 0.00 0.41 -0.00 0.00 0.00 176.95 177.48 3krq n GLY 369 N 5.00 -1.74 0.08 5.86 0.00 -1.26 -3.58 105.19 109.55 3krq n GLY 369 Ca -0.14 -1.29 0.12 0.00 0.00 0.00 0.00 46.02 44.71 3krq n GLY 369 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3krq n PRO 370 N -0.80 0.45 -2.42 1.61 -0.04 -1.26 -4.17 135.00 128.36 3krq n PRO 370 Ca 0.00 0.07 -0.27 0.00 -0.04 0.00 0.00 63.50 63.25 3krq n PRO 370 Cb 0.02 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 3krq n PRO 370 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3krq n GLU 371 N -2.33 3.43 -0.10 0.54 1.02 -1.26 -4.88 120.64 117.05 3krq n GLU 371 Ca 0.01 -4.45 -0.06 0.00 -0.02 0.00 0.00 57.16 52.64 3krq n GLU 371 Cb 0.49 -2.25 0.01 0.00 -0.02 0.00 0.00 31.44 29.67 3krq n GLU 371 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3krq h ALA 372 N 2.56 0.28 -3.14 0.62 0.00 -1.72 -3.41 119.26 114.44 3krq h ALA 372 Ca 0.31 0.12 -0.60 0.00 0.00 0.00 0.00 54.91 54.74 3krq h ALA 372 Cb 0.95 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 3krq h ALA 372 CO 0.86 -0.43 -0.42 -2.00 0.00 0.00 0.00 179.25 177.26 3krq s GLU 373 N -6.20 4.14 0.06 0.00 2.12 -1.26 -0.83 118.70 116.73 3krq s GLU 373 Ca -0.14 -0.08 0.07 0.00 0.36 0.00 0.00 54.97 55.18 3krq s GLU 373 Cb 0.13 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 3krq s GLU 373 CO 0.70 0.33 -0.19 -0.51 -0.54 0.00 0.00 175.26 175.05 3krq s LEU 374 N 0.25 2.20 0.06 2.70 1.43 0.18 -4.96 118.68 120.53 3krq s LEU 374 Ca 0.12 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 3krq s LEU 374 Cb -0.12 -0.86 -0.09 0.00 0.03 0.00 0.00 46.19 45.15 3krq s LEU 374 CO 0.01 0.10 1.90 -2.84 0.23 0.00 0.00 176.35 175.75 3krq s PRO 375 N -1.36 4.14 0.33 1.29 0.02 -1.26 -1.61 135.00 136.54 3krq s PRO 375 Ca 0.06 2.57 0.19 0.00 0.02 0.00 0.00 61.00 63.84 3krq s PRO 375 Cb -0.09 -3.96 1.20 0.00 0.02 0.00 0.00 34.50 31.67 3krq s PRO 375 CO 0.02 -0.91 1.40 -0.11 -0.33 0.00 0.00 177.00 177.07 3krq n LEU 376 N 6.89 0.31 0.01 -5.54 7.94 0.13 -0.51 117.00 126.22 3krq n LEU 376 Ca 0.19 1.46 0.13 0.00 -1.11 0.00 0.00 56.01 56.68 3krq n LEU 376 Cb 0.40 -0.71 0.56 0.00 0.53 0.00 0.00 43.42 44.20 3krq n LEU 376 CO 0.67 -1.64 0.92 0.00 -1.11 0.00 0.00 177.39 176.23 3krq n HIS 377 N -4.99 0.07 1.21 1.96 1.44 -1.26 -1.12 115.22 112.54 3krq n HIS 377 Ca 0.34 0.02 0.11 0.00 -2.01 0.00 0.00 57.72 56.18 3krq n HIS 377 Cb 1.15 -0.53 0.39 0.00 0.12 0.00 0.00 29.99 31.11 3krq n HIS 377 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3krq n THR 378 N -1.56 0.18 -0.09 0.61 -2.24 0.33 -4.04 114.28 107.46 3krq n THR 378 Ca 0.06 -0.36 0.02 0.00 -2.27 0.00 0.00 64.05 61.50 3krq n THR 378 Cb 0.32 0.48 0.05 0.00 -2.10 0.00 0.00 70.33 69.08 3krq n THR 378 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3krq n LEU 379 N 0.40 2.31 -4.73 3.22 4.77 -0.27 -4.82 117.00 117.87 3krq n LEU 379 Ca 0.17 -2.04 -0.41 0.00 -0.03 0.00 0.00 56.01 53.69 3krq n LEU 379 Cb 0.36 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3krq n LEU 379 CO 0.14 0.58 0.97 -0.36 -1.33 0.00 0.00 177.39 177.39 3krq s PHE 380 N -1.07 3.29 -1.70 -1.77 0.08 -1.25 -2.92 117.98 112.64 3krq s PHE 380 Ca 0.08 1.22 -0.17 0.00 0.12 0.00 0.00 56.93 58.18 3krq s PHE 380 Cb 0.05 -3.58 0.15 0.00 -0.57 0.00 0.00 43.02 39.07 3krq s PHE 380 CO 0.05 -1.81 0.72 1.19 -0.10 0.00 0.00 175.22 175.27 3krq n PHE 381 N 2.86 -1.67 -3.67 0.36 3.72 -0.69 -4.90 117.46 113.48 3krq n PHE 381 Ca 0.07 0.78 -0.39 0.00 -0.05 0.00 0.00 57.45 57.86 3krq n PHE 381 Cb 0.43 -2.90 -0.11 0.00 -0.94 0.00 0.00 39.48 35.96 3krq n PHE 381 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3krq s ASN 382 N -3.40 5.51 -0.12 4.37 3.84 -1.16 -3.76 114.94 120.23 3krq s ASN 382 Ca 0.68 -1.28 0.12 0.00 0.21 0.00 0.00 52.86 52.59 3krq s ASN 382 Cb -0.37 -1.94 -0.18 0.00 -0.55 0.00 0.00 41.25 38.21 3krq s ASN 382 CO 0.94 -0.42 0.09 0.35 -2.79 0.00 0.00 177.10 175.27 3krq n THR 383 N 4.87 0.79 -0.29 -5.21 -2.24 -1.26 -4.50 114.28 106.44 3krq n THR 383 Ca -0.11 -0.54 0.04 0.00 -2.27 0.00 0.00 64.05 61.17 3krq n THR 383 Cb 0.44 -0.51 0.25 0.00 -2.10 0.00 0.00 70.33 68.40 3krq n THR 383 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3krq h TRP 384 N 0.00 1.02 0.00 4.78 5.08 -1.89 0.87 115.95 125.82 3krq h TRP 384 Ca -0.31 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.69 3krq h TRP 384 Cb 1.65 -0.34 0.00 0.00 -3.00 0.00 0.00 29.16 27.48 3krq h TRP 384 CO 0.00 0.55 0.00 0.00 -1.28 0.00 0.00 178.44 177.71 3krq h ARG 385 N 1.02 0.00 0.00 0.12 2.47 -1.91 0.48 114.38 116.55 3krq h ARG 385 Ca 0.37 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.93 3krq h ARG 385 Cb 0.16 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 3krq h ARG 385 CO -0.13 0.00 -1.10 -0.89 0.56 0.00 0.00 179.97 178.41 3krq n ILE 386 N -2.72 1.49 -0.01 2.04 5.41 0.22 -3.75 119.36 122.05 3krq n ILE 386 Ca -0.02 0.03 -0.12 0.00 1.00 0.00 0.00 62.75 63.64 3krq n ILE 386 Cb 0.09 -2.16 -0.08 0.00 -0.71 0.00 0.00 39.64 36.78 3krq n ILE 386 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3krq h ILE 387 N -1.00 1.25 -0.87 1.39 2.04 -1.09 -1.21 117.51 118.02 3krq h ILE 387 Ca -0.25 -0.78 -0.55 0.00 1.00 0.00 0.00 64.86 64.28 3krq h ILE 387 Cb 1.05 1.67 -0.29 0.00 -0.74 0.00 0.00 36.82 38.51 3krq h ILE 387 CO -0.15 0.21 0.41 0.29 0.00 0.00 0.00 178.15 178.91 3krq n LYS 388 N -4.87 2.63 -2.52 2.37 5.02 0.14 -4.61 118.16 116.32 3krq n LYS 388 Ca -0.07 -3.37 -0.02 0.00 -2.02 0.00 0.00 58.31 52.83 3krq n LYS 388 Cb 0.19 -2.20 0.11 0.00 -0.02 0.00 0.00 35.03 33.11 3krq n LYS 388 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3krq n ASP 389 N -0.96 -1.29 0.00 4.39 2.03 -1.24 -4.91 116.55 114.56 3krq n ASP 389 Ca 0.55 -2.07 0.00 0.00 0.52 0.00 0.00 54.79 53.79 3krq n ASP 389 Cb 0.98 0.61 0.00 0.00 -0.72 0.00 0.00 41.12 42.00 3krq n ASP 389 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3krq n GLY 390 N -1.31 1.63 7.00 0.27 0.00 -1.25 -4.85 105.19 106.68 3krq n GLY 390 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3krq n GLY 390 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krq n GLY 391 N -0.15 -0.64 0.39 -0.02 0.00 -0.46 -4.28 105.19 100.03 3krq n GLY 391 Ca 0.00 -1.09 0.13 0.00 0.00 0.00 0.00 46.02 45.07 3krq n GLY 391 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3krq n ILE 392 N -0.53 0.00 0.06 -0.61 -5.35 -1.26 -4.29 119.36 107.38 3krq n ILE 392 Ca 0.00 -0.20 -0.18 0.00 -0.27 0.00 0.00 62.75 62.10 3krq n ILE 392 Cb 0.00 0.55 -0.09 0.00 -1.74 0.00 0.00 39.64 38.36 3krq n ILE 392 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3krq h ASP 393 N 1.89 0.77 0.34 7.28 5.19 -1.97 -1.04 116.42 128.88 3krq h ASP 393 Ca 0.00 -0.63 -0.12 0.00 -0.62 0.00 0.00 57.03 55.66 3krq h ASP 393 Cb 0.55 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 3krq h ASP 393 CO 0.00 1.43 -0.50 -0.65 -3.12 0.00 0.00 179.24 176.40 3krq h PRO 394 N 0.32 0.19 -0.02 3.56 0.11 -1.75 -2.74 132.00 131.67 3krq h PRO 394 Ca -0.12 -0.10 -0.21 0.00 0.11 0.00 0.00 66.00 65.67 3krq h PRO 394 Cb 1.68 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.80 3krq h PRO 394 CO 0.19 0.65 -0.88 -0.07 -0.21 0.00 0.00 178.00 177.68 3krq h LEU 395 N 0.15 0.51 -0.84 2.35 3.38 -1.73 -2.09 115.31 117.04 3krq h LEU 395 Ca 0.01 -0.39 -0.11 0.00 0.09 0.00 0.00 57.88 57.47 3krq h LEU 395 Cb 0.93 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3krq h LEU 395 CO 0.07 1.17 -0.38 0.58 0.09 0.00 0.00 178.44 179.98 3krq h VAL 396 N 0.24 1.30 -0.63 1.22 2.07 -1.19 -1.76 116.25 117.50 3krq h VAL 396 Ca -0.06 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 65.89 3krq h VAL 396 Cb 1.50 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 3krq h VAL 396 CO 0.15 0.46 0.15 0.03 0.02 0.00 0.00 177.57 178.38 3krq h ARG 397 N 0.34 1.02 -0.31 1.57 3.08 -1.44 -2.05 114.38 116.58 3krq h ARG 397 Ca 0.03 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 3krq h ARG 397 Cb 0.82 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3krq h ARG 397 CO 0.07 0.92 0.01 0.78 -1.07 0.00 0.00 179.97 180.68 3krq h GLY 398 N 0.93 0.50 1.62 0.04 0.00 -1.28 0.29 103.07 105.18 3krq h GLY 398 Ca 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 3krq h GLY 398 CO 0.00 0.26 0.06 1.41 0.00 0.00 0.00 176.54 178.28 3krq h LEU 399 N 0.45 0.44 0.06 3.11 3.38 -0.72 0.19 115.31 122.22 3krq h LEU 399 Ca 0.10 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3krq h LEU 399 Cb 0.29 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3krq h LEU 399 CO 0.01 0.47 -0.81 -0.07 0.09 0.00 0.00 178.44 178.12 3krq h LEU 400 N 0.47 0.21 0.00 1.67 3.38 -0.51 -2.49 115.31 118.05 3krq h LEU 400 Ca 0.11 -0.86 -0.12 0.00 0.09 0.00 0.00 57.88 57.10 3krq h LEU 400 Cb 0.22 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3krq h LEU 400 CO -0.00 1.35 -0.88 0.00 0.09 0.00 0.00 178.44 179.00 3krq h ALA 401 N -0.09 0.66 -1.94 1.53 0.00 -0.45 -3.38 119.26 115.60 3krq h ALA 401 Ca -0.18 -0.57 -0.44 0.00 0.00 0.00 0.00 54.91 53.72 3krq h ALA 401 Cb 1.41 0.07 0.05 0.00 0.00 0.00 0.00 17.79 19.32 3krq h ALA 401 CO 0.01 0.69 0.02 0.15 0.00 0.00 0.00 179.25 180.12 3krq s LYS 402 N -2.98 2.46 0.27 0.00 -0.14 0.65 -4.75 119.74 115.26 3krq s LYS 402 Ca 0.01 -0.67 0.09 0.00 -1.36 0.00 0.00 55.97 54.03 3krq s LYS 402 Cb 0.08 -2.42 -0.04 0.00 -1.68 0.00 0.00 37.83 33.77 3krq s LYS 402 CO 0.77 -0.83 0.09 0.15 -0.76 0.00 0.00 175.35 174.77 3krq s LYS 403 N -4.87 2.52 0.72 1.68 1.02 -1.26 -1.19 119.74 118.36 3krq s LYS 403 Ca 0.58 -1.32 -0.11 0.00 0.02 0.00 0.00 55.97 55.14 3krq s LYS 403 Cb -0.10 -2.30 0.02 0.00 -0.52 0.00 0.00 37.83 34.93 3krq s LYS 403 CO 0.40 0.34 1.11 -1.12 -0.92 0.00 0.00 175.35 175.15 3krq s SER 404 N -3.76 5.30 0.44 2.83 0.01 -0.73 -4.39 113.70 113.40 3krq s SER 404 Ca 0.33 1.07 -0.14 0.00 1.31 0.00 0.00 55.95 58.52 3krq s SER 404 Cb -0.06 -1.82 -0.07 0.00 0.21 0.00 0.00 66.02 64.27 3krq s SER 404 CO 0.22 -1.43 0.85 -0.75 0.41 0.00 0.00 173.24 172.55 3krq s LYS 405 N -5.39 3.89 -0.14 12.44 2.20 0.51 -0.86 119.74 132.39 3krq s LYS 405 Ca 0.59 0.70 -0.05 0.00 -0.36 0.00 0.00 55.97 56.85 3krq s LYS 405 Cb -0.11 -2.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.88 3krq s LYS 405 CO 0.51 -0.10 0.05 -1.17 -0.36 0.00 0.00 175.35 174.29 3krq s LEU 406 N -3.78 3.81 0.41 5.43 2.96 -0.19 -4.32 118.68 122.99 3krq s LEU 406 Ca 0.55 0.16 -0.27 0.00 -0.22 0.00 0.00 54.13 54.35 3krq s LEU 406 Cb -0.10 -1.93 -0.10 0.00 0.50 0.00 0.00 46.19 44.56 3krq s LEU 406 CO 0.29 0.28 1.47 -0.32 -1.32 0.00 0.00 176.35 176.75 3krq s MET 407 N -0.30 3.94 -0.15 1.98 1.75 -1.25 -4.90 119.30 120.38 3krq s MET 407 Ca 0.08 2.53 -0.07 0.00 -1.25 0.00 0.00 55.69 56.98 3krq s MET 407 Cb -0.12 -2.85 0.06 0.00 2.84 0.00 0.00 34.83 34.76 3krq s MET 407 CO 0.02 -0.65 0.34 1.21 -0.65 0.00 0.00 175.02 175.28 3krq s ASN 408 N -0.26 -0.25 0.66 1.11 3.84 -1.24 -5.04 114.94 113.75 3krq s ASN 408 Ca 0.56 0.75 0.42 0.00 0.21 0.00 0.00 52.86 54.80 3krq s ASN 408 Cb -0.46 0.74 2.33 0.00 -0.55 0.00 0.00 41.25 43.31 3krq s ASN 408 CO 0.61 -0.20 2.35 1.56 -2.79 0.00 0.00 177.10 178.63 3krq h GLN 409 N 7.51 0.00 0.00 0.43 4.20 -1.92 -1.82 115.11 123.51 3krq h GLN 409 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 3krq h GLN 409 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 3krq h GLN 409 CO 0.26 0.00 -0.95 -0.25 -0.67 0.00 0.00 178.83 177.22 3krq n ASP 410 N -3.21 0.85 -3.39 1.46 8.00 -1.26 -4.68 116.55 114.32 3krq n ASP 410 Ca -0.03 -0.85 -0.27 0.00 0.71 0.00 0.00 54.79 54.35 3krq n ASP 410 Cb 0.08 1.07 -0.10 0.00 -0.02 0.00 0.00 41.12 42.15 3krq n ASP 410 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3krq n LYS 411 N -1.50 0.21 0.02 -1.24 5.02 -0.71 -4.70 118.16 115.27 3krq n LYS 411 Ca 0.03 -3.19 -0.02 0.00 -2.02 0.00 0.00 58.31 53.11 3krq n LYS 411 Cb 0.30 -1.66 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 3krq n LYS 411 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3krq h MET 412 N 5.58 -0.13 -4.68 1.97 2.86 -1.28 -3.29 114.93 115.97 3krq h MET 412 Ca 0.26 0.01 -0.59 0.00 -2.06 0.00 0.00 59.70 57.32 3krq h MET 412 Cb 0.91 0.03 -0.35 0.00 0.06 0.00 0.00 31.60 32.24 3krq h MET 412 CO 0.38 -0.08 -0.83 0.08 1.06 0.00 0.00 176.91 177.51 3krq s VAL 413 N -1.89 1.49 0.38 -2.22 1.01 -0.99 -4.43 120.40 113.74 3krq s VAL 413 Ca -0.02 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.09 3krq s VAL 413 Cb 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 36.38 34.89 3krq s VAL 413 CO 0.06 0.44 1.19 1.07 0.00 0.00 0.00 175.10 177.85 3krq n THR 414 N 4.46 2.28 0.25 3.92 5.66 -1.26 -4.58 114.28 125.00 3krq n THR 414 Ca -0.18 -0.50 0.16 0.00 -3.05 0.00 0.00 64.05 60.48 3krq n THR 414 Cb 0.51 -1.41 0.85 0.00 -1.55 0.00 0.00 70.33 68.73 3krq n THR 414 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3krq h SER 415 N 2.10 0.00 0.30 1.09 0.02 -1.95 0.05 113.55 115.17 3krq h SER 415 Ca -0.45 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 3krq h SER 415 Cb 1.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 3krq h SER 415 CO 0.60 0.00 -0.13 -0.33 -1.14 0.00 0.00 176.83 175.83 3krq h GLU 416 N 0.00 0.00 0.00 3.45 4.39 -1.94 -0.56 114.58 119.92 3krq h GLU 416 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 3krq h GLU 416 Cb 0.07 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 3krq h GLU 416 CO 0.00 0.13 -1.98 1.28 -1.16 0.00 0.00 179.01 177.27 3krq n LEU 417 N -3.80 0.02 0.19 1.33 4.77 -0.12 -3.33 117.00 116.05 3krq n LEU 417 Ca -0.02 -0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.08 3krq n LEU 417 Cb 0.23 0.35 0.12 0.00 -2.33 0.00 0.00 43.42 41.79 3krq n LEU 417 CO 0.31 0.36 0.58 -0.09 -1.33 0.00 0.00 177.39 177.22 3krq h ARG 418 N 0.00 0.00 0.00 3.23 2.43 -1.11 -1.48 114.38 117.45 3krq h ARG 418 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3krq h ARG 418 Cb 1.88 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 3krq h ARG 418 CO 0.02 0.00 -0.38 0.09 -1.51 0.00 0.00 179.97 178.20 3krq n ASN 419 N -2.98 1.89 -0.46 -3.80 3.02 -0.27 -3.98 115.26 108.68 3krq n ASN 419 Ca 0.03 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.63 3krq n ASN 419 Cb 0.54 0.37 0.14 0.00 -0.61 0.00 0.00 39.78 40.22 3krq n ASN 419 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3krq n LYS 420 N -0.59 2.69 -1.74 3.52 5.02 -0.90 -3.40 118.16 122.77 3krq n LYS 420 Ca 0.00 -2.18 -0.42 0.00 -2.02 0.00 0.00 58.31 53.69 3krq n LYS 420 Cb 0.01 -1.37 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 3krq n LYS 420 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3krq n LEU 421 N -0.25 4.22 -4.66 -0.35 7.94 -0.88 -4.02 117.00 119.00 3krq n LEU 421 Ca 0.12 1.16 -0.35 0.00 -1.11 0.00 0.00 56.01 55.83 3krq n LEU 421 Cb 0.52 -1.57 -0.09 0.00 0.53 0.00 0.00 43.42 42.81 3krq n LEU 421 CO 0.07 0.04 -0.25 0.12 -1.11 0.00 0.00 177.39 176.26 3krq s PHE 422 N -0.20 3.26 0.08 1.96 5.36 -1.26 -1.36 117.98 125.83 3krq s PHE 422 Ca 0.63 0.12 0.09 0.00 -0.96 0.00 0.00 56.93 56.81 3krq s PHE 422 Cb -0.52 -2.02 -0.03 0.00 -0.34 0.00 0.00 43.02 40.11 3krq s PHE 422 CO 0.51 0.25 -0.24 -0.65 -1.46 0.00 0.00 175.22 173.63 3krq s GLN 423 N 0.05 1.71 0.43 10.12 -0.21 -1.26 -4.98 119.66 125.52 3krq s GLN 423 Ca 0.05 -1.18 0.30 0.00 0.02 0.00 0.00 55.36 54.55 3krq s GLN 423 Cb -0.12 -2.01 1.32 0.00 1.00 0.00 0.00 33.01 33.20 3krq s GLN 423 CO 0.01 0.49 1.89 -1.35 -2.12 0.00 0.00 175.29 174.21 3krq h PRO 424 N 4.29 0.00 -0.01 2.91 0.11 -1.98 -1.46 132.00 135.86 3krq h PRO 424 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3krq h PRO 424 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3krq h PRO 424 CO 0.43 0.00 -0.25 2.41 -0.21 0.00 0.00 178.00 180.38 3krq n THR 425 N -2.69 0.00 -3.70 -1.15 -1.04 -1.26 -4.68 114.28 99.77 3krq n THR 425 Ca 0.01 -0.38 -0.20 0.00 -2.04 0.00 0.00 64.05 61.43 3krq n THR 425 Cb 0.23 1.09 -0.03 0.00 -1.82 0.00 0.00 70.33 69.80 3krq n THR 425 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3krq s HIS 426 N -1.44 2.95 -0.18 -1.42 3.76 -0.55 -5.00 115.29 113.41 3krq s HIS 426 Ca 0.07 -0.29 0.19 0.00 -0.15 0.00 0.00 55.06 54.88 3krq s HIS 426 Cb 0.08 -1.88 -0.05 0.00 1.11 0.00 0.00 32.58 31.85 3krq s HIS 426 CO 0.27 0.11 1.00 0.87 -0.85 0.00 0.00 174.74 176.14 3krq h LYS 427 N 1.13 0.00 -6.22 1.40 1.57 -1.95 -3.44 116.57 109.06 3krq h LYS 427 Ca -0.45 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.75 3krq h LYS 427 Cb 1.26 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.49 3krq h LYS 427 CO 0.57 0.18 -0.59 0.96 -0.57 0.00 0.00 179.45 180.00 3krq s ILE 428 N -3.11 4.33 -1.37 1.86 -4.36 -1.26 -5.00 121.20 112.29 3krq s ILE 428 Ca -0.01 -1.12 -0.09 0.00 -0.26 0.00 0.00 60.65 59.16 3krq s ILE 428 Cb 0.09 -3.19 0.10 0.00 1.25 0.00 0.00 42.46 40.70 3krq s ILE 428 CO 0.79 -0.09 2.21 1.41 0.24 0.00 0.00 174.94 179.50 3krq n HIS 429 N -0.23 2.89 -1.63 1.37 8.25 -1.26 -4.37 115.22 120.23 3krq n HIS 429 Ca -0.09 -2.87 0.00 0.00 -0.26 0.00 0.00 57.72 54.50 3krq n HIS 429 Cb 0.54 -2.10 0.00 0.00 1.12 0.00 0.00 29.99 29.55 3krq n HIS 429 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3krq n GLY 430 N 2.87 -0.69 3.98 -1.41 0.00 -1.07 -4.36 105.19 104.51 3krq n GLY 430 Ca 0.53 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.31 3krq n GLY 430 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3krq s PHE 431 N 0.00 1.88 -0.31 1.61 0.40 -0.46 -4.67 117.98 116.42 3krq s PHE 431 Ca 0.00 -0.12 -0.00 0.00 -0.60 0.00 0.00 56.93 56.20 3krq s PHE 431 Cb 0.00 -3.08 0.10 0.00 0.51 0.00 0.00 43.02 40.55 3krq s PHE 431 CO 0.00 -1.66 0.10 0.34 0.70 0.00 0.00 175.22 174.70 3krq s ASP 432 N -4.69 4.08 0.39 1.36 -1.08 -1.26 -2.07 116.67 113.41 3krq s ASP 432 Ca 0.65 -1.69 0.13 0.00 -0.52 0.00 0.00 52.55 51.12 3krq s ASP 432 Cb -0.06 -0.92 0.94 0.00 -1.46 0.00 0.00 42.92 41.42 3krq s ASP 432 CO 0.44 -0.41 1.89 0.25 0.52 0.00 0.00 175.17 177.87 3krq h LEU 433 N 8.04 0.52 -0.37 -1.34 5.85 -1.50 -1.20 115.31 125.29 3krq h LEU 433 Ca -0.13 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 3krq h LEU 433 Cb 1.01 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3krq h LEU 433 CO 0.48 0.26 -0.17 0.00 -0.34 0.00 0.00 178.44 178.67 3krq h ALA 434 N 1.62 0.53 -0.55 1.25 0.00 -1.89 -0.38 119.26 119.84 3krq h ALA 434 Ca 0.41 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3krq h ALA 434 Cb 0.79 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3krq h ALA 434 CO -0.16 0.46 -0.08 0.00 0.00 0.00 0.00 179.25 179.47 3krq h ALA 435 N 0.80 0.81 -0.53 0.00 0.00 -1.58 -2.28 119.26 116.49 3krq h ALA 435 Ca 0.08 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3krq h ALA 435 Cb 0.72 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3krq h ALA 435 CO 0.05 0.67 0.19 0.82 0.00 0.00 0.00 179.25 180.98 3krq h ILE 436 N 0.91 1.23 -0.75 0.00 5.03 -1.17 0.26 117.51 123.02 3krq h ILE 436 Ca 0.15 -0.74 0.07 0.00 -0.12 0.00 0.00 64.86 64.22 3krq h ILE 436 Cb 0.64 0.71 -0.06 0.00 -3.03 0.00 0.00 36.82 35.07 3krq h ILE 436 CO 0.04 0.28 0.42 0.78 -0.68 0.00 0.00 178.15 178.99 3krq h ASN 437 N 0.73 0.62 -0.20 1.72 2.35 -0.80 0.15 115.58 120.15 3krq h ASN 437 Ca 0.17 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.82 3krq h ASN 437 Cb 0.24 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3krq h ASN 437 CO -0.01 0.38 -0.42 -0.07 -1.65 0.00 0.00 177.43 175.67 3krq h LEU 438 N 0.75 0.72 -0.96 1.61 3.38 -1.03 0.95 115.31 120.72 3krq h LEU 438 Ca 0.35 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3krq h LEU 438 Cb 0.25 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3krq h LEU 438 CO -0.21 1.14 0.37 -0.61 0.09 0.00 0.00 178.44 179.22 3krq h GLN 439 N 0.33 1.12 0.00 1.13 5.75 -0.63 -2.39 115.11 120.40 3krq h GLN 439 Ca 0.01 -0.16 -0.13 0.00 -0.15 0.00 0.00 58.65 58.22 3krq h GLN 439 Cb 1.02 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 3krq h GLN 439 CO 0.09 0.86 -0.60 -0.09 -2.65 0.00 0.00 178.83 176.44 3krq h ARG 440 N 1.11 0.00 -0.61 1.69 9.65 -0.59 0.07 114.38 125.70 3krq h ARG 440 Ca 0.27 0.00 0.09 0.00 -1.10 0.00 0.00 59.98 59.24 3krq h ARG 440 Cb 0.11 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.65 3krq h ARG 440 CO -0.03 0.60 0.41 0.00 2.80 0.00 0.00 179.97 183.75 3krq n ARG 442 N -4.47 0.68 -0.34 0.00 1.74 -0.97 -2.51 116.66 110.79 3krq n ARG 442 Ca 0.10 0.16 0.15 0.00 -0.77 0.00 0.00 57.85 57.49 3krq n ARG 442 Cb 0.35 -1.61 0.38 0.00 -1.02 0.00 0.00 32.46 30.55 3krq n ARG 442 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3krq h ASP 443 N 0.01 0.69 -0.08 0.55 3.58 -0.90 -0.66 116.42 119.61 3krq h ASP 443 Ca -0.48 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.06 3krq h ASP 443 Cb 2.05 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 43.08 3krq h ASP 443 CO 0.02 0.22 0.00 1.41 -2.88 0.00 0.00 179.24 178.01 3krq n HIS 444 N -4.73 0.11 -2.54 0.28 8.25 -0.78 -4.91 115.22 110.90 3krq n HIS 444 Ca 0.24 -0.05 -0.17 0.00 -0.26 0.00 0.00 57.72 57.47 3krq n HIS 444 Cb 0.65 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.76 3krq n HIS 444 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3krq n GLY 445 N 0.93 -0.30 3.75 -1.41 0.00 -0.26 -4.83 105.19 103.08 3krq n GLY 445 Ca 0.14 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3krq n GLY 445 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3krq s MET 446 N -5.08 4.26 0.82 1.61 -1.94 -1.04 0.10 119.30 118.03 3krq s MET 446 Ca 0.10 2.33 -0.11 0.00 -1.71 0.00 0.00 55.69 56.29 3krq s MET 446 Cb -0.04 -3.08 0.09 0.00 2.01 0.00 0.00 34.83 33.80 3krq s MET 446 CO 0.12 -0.40 1.09 -2.14 -0.01 0.00 0.00 175.02 173.68 3krq s PRO 447 N -0.82 1.85 1.12 2.03 0.02 -1.26 -4.66 135.00 133.29 3krq s PRO 447 Ca 0.57 0.80 -0.18 0.00 0.02 0.00 0.00 61.00 62.20 3krq s PRO 447 Cb -0.42 -1.88 0.26 0.00 0.02 0.00 0.00 34.50 32.48 3krq s PRO 447 CO 0.47 -1.82 1.20 0.20 -0.33 0.00 0.00 177.00 176.72 3krq s GLY 448 N -3.65 1.67 0.23 0.52 0.00 -1.26 -4.45 107.32 100.37 3krq s GLY 448 Ca 0.62 -1.09 -0.07 0.00 0.00 0.00 0.00 44.72 44.18 3krq s GLY 448 CO 0.56 -0.23 1.75 -1.82 0.00 0.00 0.00 173.10 173.36 3krq h TYR 449 N -2.26 0.51 -0.05 1.90 3.20 -1.05 -2.47 116.97 116.74 3krq h TYR 449 Ca -0.44 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.29 3krq h TYR 449 Cb 1.27 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 3krq h TYR 449 CO -1.91 0.13 -0.71 -0.91 -1.64 0.00 0.00 178.16 173.12 3krq h ASN 450 N 0.48 0.32 -0.84 -2.11 2.35 -1.80 -1.08 115.58 112.89 3krq h ASN 450 Ca 0.36 -0.21 0.09 0.00 -0.55 0.00 0.00 56.30 55.99 3krq h ASN 450 Cb 0.46 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.66 3krq h ASN 450 CO -0.33 0.93 0.49 0.28 -1.65 0.00 0.00 177.43 177.15 3krq h SER 451 N 0.18 0.72 0.88 5.81 0.02 -1.78 0.18 113.55 119.56 3krq h SER 451 Ca -0.02 0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 3krq h SER 451 Cb 1.27 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 3krq h SER 451 CO 0.11 0.42 -0.82 -0.50 -1.14 0.00 0.00 176.83 174.90 3krq h TRP 452 N 0.83 0.00 -0.42 3.45 4.06 -1.26 -1.07 115.95 121.54 3krq h TRP 452 Ca 0.40 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.31 3krq h TRP 452 Cb 0.34 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.49 3krq h TRP 452 CO -0.05 0.82 0.10 0.00 -3.56 0.00 0.00 178.44 175.75 3krq h ARG 453 N 0.00 0.67 -0.26 0.49 2.47 -0.08 -1.19 114.38 116.47 3krq h ARG 453 Ca -0.01 -0.16 0.02 0.00 -1.26 0.00 0.00 59.98 58.57 3krq h ARG 453 Cb 1.48 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.69 3krq h ARG 453 CO 0.11 0.69 0.12 0.78 0.56 0.00 0.00 179.97 182.22 3krq h GLY 454 N 0.54 0.34 0.35 0.04 0.00 -0.58 0.15 103.07 103.91 3krq h GLY 454 Ca 0.13 -0.08 0.16 0.00 0.00 0.00 0.00 47.33 47.54 3krq h GLY 454 CO 0.00 0.06 0.60 -2.75 0.00 0.00 0.00 176.54 174.46 3krq h PHE 455 N 0.25 0.93 -0.41 5.60 3.57 -0.88 0.72 116.94 126.72 3krq h PHE 455 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3krq h PHE 455 Cb 0.05 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.50 3krq h PHE 455 CO -0.11 0.29 0.00 0.00 -2.23 0.00 0.00 178.31 176.26 3krq n GLY 457 N 1.27 -0.22 3.43 0.00 0.00 0.25 -5.03 105.19 104.89 3krq n GLY 457 Ca 0.17 0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 3krq n GLY 457 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3krq s LEU 458 N -5.86 2.46 0.77 0.99 1.43 0.42 -5.01 118.68 113.89 3krq s LEU 458 Ca 0.43 -0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 52.54 3krq s LEU 458 Cb -0.19 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.84 3krq s LEU 458 CO 0.54 0.12 0.81 -1.54 0.23 0.00 0.00 176.35 176.51 3krq n SER 459 N 0.29 -0.24 -3.96 2.29 3.41 -1.26 -3.85 113.62 110.31 3krq n SER 459 Ca -0.13 0.58 -0.30 0.00 -0.26 0.00 0.00 58.87 58.76 3krq n SER 459 Cb 0.56 -1.34 -0.14 0.00 -0.26 0.00 0.00 64.21 63.02 3krq n SER 459 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3krq s GLN 460 N -3.36 1.74 0.37 4.33 -0.21 -1.26 -4.76 119.66 116.51 3krq s GLN 460 Ca 0.69 -2.30 -0.27 0.00 0.02 0.00 0.00 55.36 53.50 3krq s GLN 460 Cb -0.32 -3.20 -0.11 0.00 1.00 0.00 0.00 33.01 30.38 3krq s GLN 460 CO 0.55 -1.05 1.28 -0.35 -2.12 0.00 0.00 175.29 173.60 3krq n PRO 461 N 3.57 2.06 -0.00 2.91 -0.04 -1.26 -4.93 135.00 137.31 3krq n PRO 461 Ca 0.05 0.73 0.01 0.00 -0.04 0.00 0.00 63.50 64.25 3krq n PRO 461 Cb 0.36 -2.35 -0.02 0.00 -0.04 0.00 0.00 33.50 31.45 3krq n PRO 461 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3krq n LYS 462 N 0.38 2.04 -4.33 0.54 4.76 -1.26 -4.44 118.16 115.84 3krq n LYS 462 Ca 0.05 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.31 3krq n LYS 462 Cb 0.37 -0.92 -0.10 0.00 -1.84 0.00 0.00 35.03 32.54 3krq n LYS 462 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3krq s THR 463 N -1.88 0.91 0.13 -0.18 -4.23 -1.26 -4.62 115.64 104.51 3krq s THR 463 Ca -0.00 -2.02 -0.32 0.00 -1.18 0.00 0.00 61.69 58.17 3krq s THR 463 Cb 0.02 -2.44 -0.10 0.00 1.34 0.00 0.00 72.50 71.32 3krq s THR 463 CO 0.11 -0.23 1.56 0.25 -0.54 0.00 0.00 174.62 175.76 3krq h LEU 464 N 2.43 -1.71 -0.81 4.79 5.85 -1.97 0.21 115.31 124.10 3krq h LEU 464 Ca -0.38 0.22 0.17 0.00 0.84 0.00 0.00 57.88 58.73 3krq h LEU 464 Cb 1.23 0.69 -0.11 0.00 0.37 0.00 0.00 40.66 42.84 3krq h LEU 464 CO 0.64 -0.44 0.32 0.50 -0.34 0.00 0.00 178.44 179.12 3krq h LYS 465 N -0.49 0.40 -0.17 1.25 1.63 -1.98 0.67 116.57 117.89 3krq h LYS 465 Ca 0.06 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 3krq h LYS 465 Cb 0.64 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 3krq h LYS 465 CO -0.50 0.27 -0.00 0.78 -3.45 0.00 0.00 179.45 176.54 3krq h GLY 466 N 0.42 0.32 1.57 5.01 0.00 -1.45 -2.20 103.07 106.74 3krq h GLY 466 Ca 0.47 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 3krq h GLY 466 CO -0.47 0.22 0.03 -2.00 0.00 0.00 0.00 176.54 174.32 3krq h LEU 467 N 0.04 0.50 -0.33 3.11 5.85 0.74 -1.81 115.31 123.41 3krq h LEU 467 Ca 0.05 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.72 3krq h LEU 467 Cb 0.39 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3krq h LEU 467 CO 0.01 0.55 0.08 1.56 -0.34 0.00 0.00 178.44 180.29 3krq h GLN 468 N 0.52 0.19 -0.57 1.25 4.20 0.53 0.16 115.11 121.38 3krq h GLN 468 Ca 0.11 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.82 3krq h GLN 468 Cb 0.29 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3krq h GLN 468 CO 0.01 0.13 0.38 1.15 -0.67 0.00 0.00 178.83 179.82 3krq h THR 469 N 0.20 1.14 -0.08 -0.54 2.02 -0.76 0.72 112.91 115.61 3krq h THR 469 Ca 0.15 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3krq h THR 469 Cb 0.16 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3krq h THR 469 CO -0.19 0.14 -0.07 0.58 0.37 0.00 0.00 175.52 176.35 3krq h VAL 470 N 0.77 1.36 0.00 3.16 2.07 -0.91 -3.16 116.25 119.55 3krq h VAL 470 Ca 0.21 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3krq h VAL 470 Cb -0.08 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3krq h VAL 470 CO -0.05 0.34 0.00 -0.07 0.02 0.00 0.00 177.57 177.81 3krq h LEU 471 N -0.23 0.00 2.58 2.57 4.07 -0.57 -3.43 115.31 120.29 3krq h LEU 471 Ca 0.01 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.64 3krq h LEU 471 Cb 0.57 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 3krq h LEU 471 CO 0.02 0.00 -0.41 0.29 -1.08 0.00 0.00 178.44 177.26 3krq n LYS 472 N -2.62 -1.90 -3.53 1.13 5.02 0.25 -4.54 118.16 111.97 3krq n LYS 472 Ca 0.03 0.82 -0.21 0.00 -2.02 0.00 0.00 58.31 56.92 3krq n LYS 472 Cb 0.36 -5.41 -0.14 0.00 -0.02 0.00 0.00 35.03 29.82 3krq n LYS 472 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3krq s ASN 473 N -2.08 1.83 0.11 4.39 3.84 -1.18 -5.05 114.94 116.81 3krq s ASN 473 Ca 0.00 -0.44 -0.19 0.00 0.21 0.00 0.00 52.86 52.44 3krq s ASN 473 Cb 0.00 0.15 -0.05 0.00 -0.55 0.00 0.00 41.25 40.80 3krq s ASN 473 CO 0.00 -0.34 1.68 0.50 -2.79 0.00 0.00 177.10 176.15 3krq h LYS 474 N 8.35 0.39 -0.31 0.43 3.64 -1.92 -2.46 116.57 124.69 3krq h LYS 474 Ca -0.16 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 58.98 3krq h LYS 474 Cb 1.14 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3krq h LYS 474 CO 0.30 0.38 -0.50 0.82 -2.27 0.00 0.00 179.45 178.18 3krq h ILE 475 N 0.30 1.28 -0.21 2.00 2.04 -1.98 -2.20 117.51 118.74 3krq h ILE 475 Ca 0.09 -1.68 -0.01 0.00 1.00 0.00 0.00 64.86 64.25 3krq h ILE 475 Cb 0.12 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3krq h ILE 475 CO -0.01 0.55 0.08 0.25 0.00 0.00 0.00 178.15 179.02 3krq h LEU 476 N 0.68 0.29 -0.95 1.44 5.85 -1.94 -2.42 115.31 118.26 3krq h LEU 476 Ca 0.03 -0.18 0.17 0.00 0.84 0.00 0.00 57.88 58.74 3krq h LEU 476 Cb 1.10 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.95 3krq h LEU 476 CO 0.11 0.39 0.55 0.00 -0.34 0.00 0.00 178.44 179.16 3krq h ALA 477 N 0.91 1.53 0.24 1.25 0.00 -1.39 -1.69 119.26 120.12 3krq h ALA 477 Ca 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3krq h ALA 477 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3krq h ALA 477 CO -0.00 -0.05 -0.12 -0.22 0.00 0.00 0.00 179.25 178.86 3krq h LYS 478 N 0.73 -0.32 -0.76 0.00 3.64 -1.14 -1.30 116.57 117.42 3krq h LYS 478 Ca 0.54 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.91 3krq h LYS 478 Cb 0.80 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 3krq h LYS 478 CO -0.37 -0.15 0.34 0.87 -2.27 0.00 0.00 179.45 177.87 3krq h LYS 479 N -0.40 1.09 0.21 1.90 1.57 -0.96 -0.95 116.57 119.03 3krq h LYS 479 Ca -0.03 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3krq h LYS 479 Cb 0.31 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3krq h LYS 479 CO 0.05 0.86 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.62 3krq h LEU 480 N 1.08 -0.24 -0.49 2.94 4.07 -1.16 -1.21 115.31 120.31 3krq h LEU 480 Ca 0.26 -0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.21 3krq h LEU 480 Cb 0.14 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.91 3krq h LEU 480 CO -0.03 -0.12 0.29 0.24 -1.08 0.00 0.00 178.44 177.74 3krq h MET 481 N -0.33 0.56 -0.34 1.13 2.86 -1.05 0.58 114.93 118.33 3krq h MET 481 Ca -0.03 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3krq h MET 481 Cb 0.26 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3krq h MET 481 CO 0.05 0.37 0.23 -0.44 1.06 0.00 0.00 176.91 178.18 3krq h ASP 482 N 0.58 0.35 0.09 1.22 3.32 -1.07 0.40 116.42 121.31 3krq h ASP 482 Ca 0.20 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.99 3krq h ASP 482 Cb 0.02 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3krq h ASP 482 CO -0.09 0.24 -1.28 -0.07 -1.72 0.00 0.00 179.24 176.33 3krq h LEU 483 N 0.41 0.31 0.00 1.55 3.38 0.06 -3.41 115.31 117.60 3krq h LEU 483 Ca 0.13 -0.83 -0.26 0.00 0.09 0.00 0.00 57.88 57.02 3krq h LEU 483 Cb 0.04 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3krq h LEU 483 CO -0.03 1.55 -2.09 -1.22 0.09 0.00 0.00 178.44 176.74 3krq n TYR 484 N -4.04 0.26 0.00 1.13 4.01 0.19 -4.24 117.16 114.47 3krq n TYR 484 Ca -0.24 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3krq n TYR 484 Cb 0.84 -0.94 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 3krq n TYR 484 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3krq n LYS 485 N -2.71 0.00 -3.68 -0.72 4.76 0.14 -4.76 118.16 111.19 3krq n LYS 485 Ca -0.22 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.12 3krq n LYS 485 Cb 0.99 -2.20 -0.10 0.00 -1.84 0.00 0.00 35.03 31.87 3krq n LYS 485 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3krq s THR 486 N -1.23 -0.02 0.64 -0.18 -1.32 -1.26 -5.01 115.64 107.26 3krq s THR 486 Ca 0.00 0.07 0.19 0.00 -1.21 0.00 0.00 61.69 60.74 3krq s THR 486 Cb 0.00 -0.70 0.23 0.00 -1.51 0.00 0.00 72.50 70.52 3krq s THR 486 CO 0.00 0.03 1.50 -0.65 -2.21 0.00 0.00 174.62 173.29 3krq h PRO 487 N 7.10 0.00 -0.40 7.08 0.11 -1.82 1.80 132.00 145.87 3krq h PRO 487 Ca -0.35 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 3krq h PRO 487 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3krq h PRO 487 CO 0.27 0.00 0.05 -0.44 -0.21 0.00 0.00 178.00 177.67 3krq h ASP 488 N 0.00 0.57 0.25 -2.05 3.32 -1.95 -3.08 116.42 113.48 3krq h ASP 488 Ca 0.12 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3krq h ASP 488 Cb 1.60 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.00 3krq h ASP 488 CO -0.00 0.60 -0.11 0.59 -1.72 0.00 0.00 179.24 178.60 3krq n ASN 489 N -4.29 0.67 -4.65 6.45 4.13 0.61 -4.01 115.26 114.17 3krq n ASN 489 Ca 0.02 -0.80 -0.43 0.00 1.68 0.00 0.00 54.58 55.06 3krq n ASN 489 Cb 0.23 -0.02 -0.03 0.00 -1.54 0.00 0.00 39.78 38.42 3krq n ASN 489 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3krq s ILE 490 N -2.37 3.74 0.25 2.41 1.01 -1.16 -4.86 121.20 120.22 3krq s ILE 490 Ca 0.31 0.87 -0.31 0.00 0.00 0.00 0.00 60.65 61.53 3krq s ILE 490 Cb 0.20 -3.64 -0.13 0.00 0.01 0.00 0.00 42.46 38.89 3krq s ILE 490 CO 0.45 -0.17 1.36 0.47 0.00 0.00 0.00 174.94 177.06 3krq n ASP 491 N 7.59 2.62 -0.13 3.58 8.00 -1.26 -0.70 116.55 136.25 3krq n ASP 491 Ca 0.17 1.15 0.18 0.00 0.71 0.00 0.00 54.79 57.00 3krq n ASP 491 Cb 0.44 -1.42 0.56 0.00 -0.02 0.00 0.00 41.12 40.69 3krq n ASP 491 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3krq h ILE 492 N 2.92 0.76 -0.04 0.53 6.09 -1.87 -0.25 117.51 125.65 3krq h ILE 492 Ca -0.45 -0.10 -0.00 0.00 -1.37 0.00 0.00 64.86 62.94 3krq h ILE 492 Cb 1.28 0.44 -0.00 0.00 0.47 0.00 0.00 36.82 39.01 3krq h ILE 492 CO 0.73 0.05 0.01 -0.25 -3.07 0.00 0.00 178.15 175.62 3krq h TRP 493 N 0.29 0.06 0.12 2.19 7.01 -1.89 0.48 115.95 124.22 3krq h TRP 493 Ca 0.35 -0.01 -0.28 0.00 2.11 0.00 0.00 58.89 61.07 3krq h TRP 493 Cb 0.97 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.01 3krq h TRP 493 CO -0.00 0.25 -1.29 0.97 -2.79 0.00 0.00 178.44 175.58 3krq h ILE 494 N -0.14 1.44 -0.48 2.65 6.09 -1.86 -2.42 117.51 122.79 3krq h ILE 494 Ca 0.01 -3.03 -0.09 0.00 -1.37 0.00 0.00 64.86 60.38 3krq h ILE 494 Cb 0.22 2.90 -0.02 0.00 0.47 0.00 0.00 36.82 40.39 3krq h ILE 494 CO -0.00 0.88 -0.07 1.23 -3.07 0.00 0.00 178.15 177.12 3krq h GLY 495 N 1.71 0.96 0.96 8.18 0.00 -1.06 -1.59 103.07 112.24 3krq h GLY 495 Ca -0.15 -0.76 0.02 0.00 0.00 0.00 0.00 47.33 46.44 3krq h GLY 495 CO 0.19 0.69 0.59 -1.33 0.00 0.00 0.00 176.54 176.68 3krq h GLY 496 N 0.74 1.27 1.79 4.60 0.00 -0.94 -2.26 103.07 108.27 3krq h GLY 496 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3krq h GLY 496 CO 0.04 0.43 -0.11 0.70 0.00 0.00 0.00 176.54 177.60 3krq n ASN 497 N -4.48 0.17 0.23 0.19 3.02 -0.91 -3.63 115.26 109.84 3krq n ASN 497 Ca 0.10 0.35 0.12 0.00 -0.03 0.00 0.00 54.58 55.13 3krq n ASN 497 Cb 0.04 -0.36 0.32 0.00 -0.61 0.00 0.00 39.78 39.16 3krq n ASN 497 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3krq h ALA 498 N 2.95 0.97 -2.81 5.41 0.00 -0.66 -3.46 119.26 121.67 3krq h ALA 498 Ca 0.00 -0.07 -0.51 0.00 0.00 0.00 0.00 54.91 54.34 3krq h ALA 498 Cb 0.52 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.32 3krq h ALA 498 CO 0.00 0.09 0.49 -1.21 0.00 0.00 0.00 179.25 178.62 3krq s GLU 499 N -3.35 4.61 0.55 0.00 2.02 -1.24 -4.88 118.70 116.42 3krq s GLU 499 Ca 0.05 1.83 -0.21 0.00 0.02 0.00 0.00 54.97 56.65 3krq s GLU 499 Cb 0.07 -3.17 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 3krq s GLU 499 CO 0.64 0.17 1.33 -2.14 0.02 0.00 0.00 175.26 175.28 3krq s PRO 500 N -1.50 3.13 0.56 0.39 0.02 -1.26 -4.23 135.00 132.11 3krq s PRO 500 Ca 0.45 2.16 -0.19 0.00 0.02 0.00 0.00 61.00 63.44 3krq s PRO 500 Cb -0.32 -2.21 -0.05 0.00 0.02 0.00 0.00 34.50 31.93 3krq s PRO 500 CO 0.42 -1.18 1.13 -1.64 -0.33 0.00 0.00 177.00 175.40 3krq s MET 501 N -2.96 3.28 0.98 5.54 -1.94 -1.26 -3.96 119.30 118.98 3krq s MET 501 Ca 0.72 1.59 -0.15 0.00 -1.71 0.00 0.00 55.69 56.14 3krq s MET 501 Cb -0.39 -2.00 0.18 0.00 2.01 0.00 0.00 34.83 34.64 3krq s MET 501 CO 0.45 -0.90 1.21 0.14 -0.01 0.00 0.00 175.02 175.91 3krq s VAL 502 N -1.84 1.92 -0.07 -6.03 -7.23 -0.48 -4.89 120.40 101.79 3krq s VAL 502 Ca 0.72 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.59 3krq s VAL 502 Cb -0.24 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 3krq s VAL 502 CO 0.29 0.00 1.38 -0.70 -0.31 0.00 0.00 175.10 175.76 3krq s GLU 503 N -5.59 4.26 -0.93 4.82 2.12 -1.26 -1.79 118.70 120.32 3krq s GLU 503 Ca 0.69 1.88 0.00 0.00 0.36 0.00 0.00 54.97 57.90 3krq s GLU 503 Cb -0.09 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.60 3krq s GLU 503 CO 0.53 -0.65 0.00 0.54 -0.54 0.00 0.00 175.26 175.14 3krq n ARG 504 N 6.04 -0.77 -2.34 4.30 3.00 -1.26 0.15 116.66 125.78 3krq n ARG 504 Ca 0.14 0.62 -0.04 0.00 -0.01 0.00 0.00 57.85 58.56 3krq n ARG 504 Cb 0.44 -4.63 -0.01 0.00 0.00 0.00 0.00 32.46 28.26 3krq n ARG 504 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3krq n GLY 505 N -1.27 4.06 0.24 -0.13 0.00 -0.74 -3.58 105.19 103.77 3krq n GLY 505 Ca -0.11 -2.10 0.04 0.00 0.00 0.00 0.00 46.02 43.84 3krq n GLY 505 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krq n ARG 506 N -0.15 0.74 -4.10 1.61 5.12 0.37 -4.57 116.66 115.68 3krq n ARG 506 Ca -0.02 -1.58 -0.08 0.00 -1.93 0.00 0.00 57.85 54.24 3krq n ARG 506 Cb 0.08 -0.91 -0.10 0.00 -1.16 0.00 0.00 32.46 30.37 3krq n ARG 506 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3krq s VAL 507 N -1.15 0.33 0.15 1.55 -7.23 -1.24 -4.93 120.40 107.89 3krq s VAL 507 Ca 0.12 -1.75 -0.02 0.00 -1.81 0.00 0.00 61.98 58.52 3krq s VAL 507 Cb 0.10 -1.44 0.03 0.00 0.56 0.00 0.00 36.38 35.64 3krq s VAL 507 CO 0.01 -0.91 0.21 0.61 -0.31 0.00 0.00 175.10 174.71 3krq n GLY 508 N 0.23 -0.44 0.30 2.32 0.00 -1.25 -1.39 105.19 104.95 3krq n GLY 508 Ca -0.15 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 3krq n GLY 508 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3krq h PRO 509 N 0.00 1.04 -0.26 1.61 0.11 -1.91 -0.61 132.00 131.98 3krq h PRO 509 Ca -0.07 -0.33 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 3krq h PRO 509 Cb 0.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3krq h PRO 509 CO 0.06 1.02 0.15 1.25 -0.21 0.00 0.00 178.00 180.26 3krq h LEU 510 N 0.94 0.32 -0.25 2.35 5.85 -1.93 -1.92 115.31 120.66 3krq h LEU 510 Ca 0.17 -0.08 -0.21 0.00 0.84 0.00 0.00 57.88 58.60 3krq h LEU 510 Cb 0.54 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3krq h LEU 510 CO 0.03 0.30 -0.77 -0.07 -0.34 0.00 0.00 178.44 177.59 3krq h LEU 511 N 0.31 0.77 -1.16 2.25 3.38 -1.80 -1.41 115.31 117.65 3krq h LEU 511 Ca 0.09 -0.51 0.24 0.00 0.09 0.00 0.00 57.88 57.80 3krq h LEU 511 Cb 0.05 -0.23 -0.11 0.00 0.09 0.00 0.00 40.66 40.47 3krq h LEU 511 CO -0.02 1.28 0.63 0.00 0.09 0.00 0.00 178.44 180.42 3krq h ALA 512 N 0.70 1.95 0.02 1.53 0.00 -0.99 0.24 119.26 122.72 3krq h ALA 512 Ca -0.05 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3krq h ALA 512 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3krq h ALA 512 CO 0.15 -0.38 -0.18 0.00 0.00 0.00 0.00 179.25 178.84 3krq h LEU 514 N -0.72 0.23 -0.27 0.00 3.38 -0.92 -0.86 115.31 116.16 3krq h LEU 514 Ca -0.03 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3krq h LEU 514 Cb 1.05 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3krq h LEU 514 CO 0.04 0.25 -0.27 -0.07 0.09 0.00 0.00 178.44 178.48 3krq h LEU 515 N 0.20 0.71 -0.91 1.67 3.38 -0.66 -3.00 115.31 116.70 3krq h LEU 515 Ca 0.07 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.60 3krq h LEU 515 Cb 0.07 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3krq h LEU 515 CO -0.01 1.03 0.58 1.23 0.09 0.00 0.00 178.44 181.37 3krq h GLY 516 N 0.39 1.33 1.05 0.83 0.00 -0.86 -1.87 103.07 103.94 3krq h GLY 516 Ca 0.04 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 3krq h GLY 516 CO 0.07 0.36 -0.22 -0.09 0.00 0.00 0.00 176.54 176.66 3krq h ARG 517 N 1.12 0.87 0.05 4.80 2.43 -1.14 -2.74 114.38 119.76 3krq h ARG 517 Ca 0.37 -0.39 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3krq h ARG 517 Cb 0.04 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3krq h ARG 517 CO -0.13 1.03 -0.02 0.37 -1.51 0.00 0.00 179.97 179.71 3krq h GLN 518 N 0.69 -0.07 -0.76 0.20 5.75 -1.34 -2.10 115.11 117.49 3krq h GLN 518 Ca 0.09 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 3krq h GLN 518 Cb 0.78 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.31 3krq h GLN 518 CO 0.06 0.14 0.44 0.74 -2.65 0.00 0.00 178.83 177.56 3krq h PHE 519 N -0.27 1.01 -0.78 3.99 0.04 -1.44 -0.04 116.94 119.45 3krq h PHE 519 Ca -0.01 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.81 3krq h PHE 519 Cb 0.24 -0.33 -0.06 0.00 2.20 0.00 0.00 35.95 38.00 3krq h PHE 519 CO -0.01 0.69 0.47 0.37 -0.60 0.00 0.00 178.31 179.23 3krq h GLN 520 N 1.05 0.85 -0.31 1.51 -0.00 -1.30 -2.39 115.11 114.51 3krq h GLN 520 Ca 0.27 -0.05 -0.08 0.00 -0.00 0.00 0.00 58.65 58.79 3krq h GLN 520 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.27 3krq h GLN 520 CO -0.05 0.56 -0.13 1.96 0.00 0.00 0.00 178.83 181.17 3krq h GLN 521 N 0.88 0.64 0.00 1.69 4.20 -0.58 -1.30 115.11 120.64 3krq h GLN 521 Ca 0.34 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3krq h GLN 521 Cb 0.15 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3krq h GLN 521 CO -0.16 0.85 0.00 -0.84 -0.67 0.00 0.00 178.83 178.01 3krq h ILE 522 N 0.41 0.00 0.00 2.54 3.07 -0.90 -0.51 117.51 122.12 3krq h ILE 522 Ca 0.07 -0.47 0.00 0.00 1.55 0.00 0.00 64.86 66.02 3krq h ILE 522 Cb 0.65 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 3krq h ILE 522 CO 0.04 0.00 -0.11 -0.09 -1.05 0.00 0.00 178.15 176.94 3krq h ARG 523 N 0.00 0.00 -0.06 0.16 2.43 -1.31 -3.32 114.38 112.28 3krq h ARG 523 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3krq h ARG 523 Cb 0.51 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3krq h ARG 523 CO 0.00 0.00 0.05 -0.44 -1.51 0.00 0.00 179.97 178.07 3krq h ASP 524 N -0.91 0.00 -0.44 -3.80 3.32 -1.25 -2.59 116.42 110.74 3krq h ASP 524 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3krq h ASP 524 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3krq h ASP 524 CO 0.00 0.00 0.03 0.61 -1.72 0.00 0.00 179.24 178.16 3krq n GLY 525 N -1.55 2.67 3.40 2.75 0.00 -0.20 -1.45 105.19 110.81 3krq n GLY 525 Ca -0.01 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 3krq n GLY 525 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3krq s ASP 526 N -0.58 5.17 0.44 1.61 2.15 -0.98 -4.65 116.67 119.82 3krq s ASP 526 Ca 0.40 -0.44 0.23 0.00 0.43 0.00 0.00 52.55 53.17 3krq s ASP 526 Cb 0.31 -1.92 0.97 0.00 -0.30 0.00 0.00 42.92 41.99 3krq s ASP 526 CO 0.12 -0.12 1.86 -0.09 -0.17 0.00 0.00 175.17 176.77 3krq h ARG 527 N 8.25 0.00 -0.53 4.34 2.43 -1.89 -2.92 114.38 124.06 3krq h ARG 527 Ca -0.35 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.73 3krq h ARG 527 Cb 1.15 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.65 3krq h ARG 527 CO 0.60 0.25 0.09 1.19 -1.51 0.00 0.00 179.97 180.59 3krq n PHE 528 N -3.54 1.82 -1.69 2.20 3.01 -1.26 -4.93 117.46 113.06 3krq n PHE 528 Ca -0.01 -1.01 -0.44 0.00 1.01 0.00 0.00 57.45 57.01 3krq n PHE 528 Cb 0.40 -0.52 -0.03 0.00 -0.01 0.00 0.00 39.48 39.33 3krq n PHE 528 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 3krq n TRP 529 N -0.11 2.42 -0.23 1.38 -0.00 -1.11 -4.82 117.44 114.97 3krq n TRP 529 Ca 0.31 0.32 0.22 0.00 -0.00 0.00 0.00 57.50 58.35 3krq n TRP 529 Cb 1.17 -2.53 0.57 0.00 -0.00 0.00 0.00 31.31 30.51 3krq n TRP 529 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 177.69 177.80 3krq h TRP 530 N 4.89 0.41 -0.08 5.87 5.08 -1.93 -1.39 115.95 128.80 3krq h TRP 530 Ca -0.45 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.53 3krq h TRP 530 Cb 1.25 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 27.29 3krq h TRP 530 CO 0.59 0.10 0.00 -1.91 -1.28 0.00 0.00 178.44 175.93 3krq n GLU 531 N -4.46 1.78 -2.45 0.12 2.13 -1.26 -4.40 120.64 112.10 3krq n GLU 531 Ca 0.20 -1.15 -0.43 0.00 0.66 0.00 0.00 57.16 56.44 3krq n GLU 531 Cb 0.78 -1.45 -0.02 0.00 0.27 0.00 0.00 31.44 31.01 3krq n GLU 531 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3krq s ASN 532 N -1.84 6.99 0.15 4.31 2.47 -0.53 -4.95 114.94 121.54 3krq s ASN 532 Ca 0.35 1.71 -0.34 0.00 0.42 0.00 0.00 52.86 55.01 3krq s ASN 532 Cb 0.20 -2.54 -0.15 0.00 -1.45 0.00 0.00 41.25 37.30 3krq s ASN 532 CO 0.31 -0.70 1.34 -2.65 -3.72 0.00 0.00 177.10 171.68 3krq n PRO 533 N 6.13 1.50 0.00 0.43 -0.02 -1.26 -1.67 135.00 140.11 3krq n PRO 533 Ca 0.13 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3krq n PRO 533 Cb 0.45 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3krq n PRO 533 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3krq n GLY 534 N 2.46 3.12 0.06 -1.23 0.00 -1.26 -4.93 105.19 103.41 3krq n GLY 534 Ca 0.16 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 3krq n GLY 534 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3krq h VAL 535 N 0.00 1.13 -3.17 1.61 2.07 -1.64 -3.44 116.25 112.82 3krq h VAL 535 Ca 0.00 -0.51 -0.61 0.00 0.82 0.00 0.00 66.70 66.39 3krq h VAL 535 Cb 0.00 1.47 -0.18 0.00 -1.52 0.00 0.00 31.29 31.06 3krq h VAL 535 CO 0.00 0.13 -0.81 -0.36 0.02 0.00 0.00 177.57 176.55 3krq s PHE 536 N -5.29 2.16 0.87 1.57 0.40 -1.26 -5.12 117.98 111.30 3krq s PHE 536 Ca -0.14 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 55.71 3krq s PHE 536 Cb 0.04 -1.06 0.18 0.00 0.51 0.00 0.00 43.02 42.69 3krq s PHE 536 CO 0.66 0.46 1.19 0.95 0.70 0.00 0.00 175.22 179.18 3krq s THR 537 N -1.83 2.02 0.01 0.64 -4.23 -1.26 -4.83 115.64 106.16 3krq s THR 537 Ca 0.20 -0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 60.39 3krq s THR 537 Cb -0.07 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 71.05 3krq s THR 537 CO 0.09 0.00 1.04 1.05 -0.54 0.00 0.00 174.62 176.26 3krq h GLU 538 N -1.19 -0.00 0.00 3.99 4.11 -2.00 -2.09 114.58 117.39 3krq h GLU 538 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 3krq h GLU 538 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3krq h GLU 538 CO 0.35 -0.00 0.00 0.87 0.07 0.00 0.00 179.01 180.30 3krq h LYS 539 N -0.00 0.00 -0.29 1.06 1.57 -1.95 -3.32 116.57 113.64 3krq h LYS 539 Ca 0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 3krq h LYS 539 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3krq h LYS 539 CO -0.06 0.00 -0.15 1.96 -0.57 0.00 0.00 179.45 180.63 3krq h GLN 540 N 0.00 0.61 0.00 3.15 4.20 -1.69 -2.76 115.11 118.61 3krq h GLN 540 Ca 0.00 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 3krq h GLN 540 Cb 0.55 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 3krq h GLN 540 CO 0.00 0.85 -0.01 0.00 -0.67 0.00 0.00 178.83 178.99 3krq h ARG 541 N 0.35 0.00 0.05 1.46 3.08 -1.60 -2.60 114.38 115.12 3krq h ARG 541 Ca 0.06 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.85 3krq h ARG 541 Cb 0.67 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.73 3krq h ARG 541 CO 0.04 0.01 -1.09 -0.44 -1.07 0.00 0.00 179.97 177.43 3krq h ASP 542 N 0.00 0.74 0.18 7.04 3.45 -1.65 -2.15 116.42 124.03 3krq h ASP 542 Ca -0.00 -0.64 -0.16 0.00 0.43 0.00 0.00 57.03 56.66 3krq h ASP 542 Cb 0.61 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 3krq h ASP 542 CO 0.00 1.45 -0.62 0.28 -1.57 0.00 0.00 179.24 178.78 3krq h SER 543 N 0.28 0.49 0.11 6.45 0.02 -1.40 -3.20 113.55 116.31 3krq h SER 543 Ca -0.13 -0.28 -0.14 0.00 -0.84 0.00 0.00 61.79 60.39 3krq h SER 543 Cb 1.75 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 64.14 3krq h SER 543 CO 0.20 0.99 -0.50 -0.07 -1.14 0.00 0.00 176.83 176.31 3krq h LEU 544 N 0.32 0.49 0.00 5.07 3.38 -1.48 -2.97 115.31 120.11 3krq h LEU 544 Ca -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3krq h LEU 544 Cb 1.16 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3krq h LEU 544 CO 0.11 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.54 3krq n GLN 545 N -3.97 0.19 -0.00 1.13 1.13 -0.81 -1.98 117.38 113.07 3krq n GLN 545 Ca -0.02 0.07 0.11 0.00 -1.94 0.00 0.00 57.00 55.22 3krq n GLN 545 Cb 0.56 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 29.27 3krq n GLN 545 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3krq n LYS 546 N -1.09 0.48 -1.33 -1.09 5.02 -1.12 -5.01 118.16 114.02 3krq n LYS 546 Ca 0.05 -0.13 -0.36 0.00 -2.02 0.00 0.00 58.31 55.85 3krq n LYS 546 Cb 0.04 -1.53 0.08 0.00 -0.02 0.00 0.00 35.03 33.60 3krq n LYS 546 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3krq n VAL 547 N -2.07 2.48 -3.70 -0.18 0.24 -0.84 -4.78 118.33 109.48 3krq n VAL 547 Ca -0.02 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.34 61.80 3krq n VAL 547 Cb 0.50 -0.98 -0.04 0.00 -1.47 0.00 0.00 33.84 31.85 3krq n VAL 547 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3krq s SER 548 N -1.58 -0.27 0.31 -1.34 1.04 -1.26 -4.98 113.70 105.62 3krq s SER 548 Ca 0.71 -0.42 0.13 0.00 0.48 0.00 0.00 55.95 56.85 3krq s SER 548 Cb -0.35 0.55 0.46 0.00 0.10 0.00 0.00 66.02 66.78 3krq s SER 548 CO 0.53 -0.99 1.65 0.15 0.98 0.00 0.00 173.24 175.55 3krq h PHE 549 N 2.23 0.00 -0.79 5.02 3.57 -1.96 -2.34 116.94 122.67 3krq h PHE 549 Ca -0.30 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.15 3krq h PHE 549 Cb 1.26 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 3krq h PHE 549 CO 0.34 0.54 0.32 0.77 -2.23 0.00 0.00 178.31 178.05 3krq h SER 550 N 0.00 1.08 -0.14 0.41 0.02 -1.87 -2.34 113.55 110.71 3krq h SER 550 Ca -0.01 -0.16 -0.14 0.00 -0.84 0.00 0.00 61.79 60.64 3krq h SER 550 Cb 1.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 3krq h SER 550 CO 0.07 0.95 -0.39 -0.09 -1.14 0.00 0.00 176.83 176.23 3krq h ARG 551 N 1.14 0.67 -0.86 3.45 9.65 -1.81 -1.96 114.38 124.65 3krq h ARG 551 Ca 0.26 -0.34 0.11 0.00 -1.10 0.00 0.00 59.98 58.91 3krq h ARG 551 Cb 0.20 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.71 3krq h ARG 551 CO -0.02 0.95 0.50 1.25 2.80 0.00 0.00 179.97 185.44 3krq h LEU 552 N 0.55 0.70 -0.13 3.80 5.85 -1.05 0.11 115.31 125.14 3krq h LEU 552 Ca 0.05 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3krq h LEU 552 Cb 0.92 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 3krq h LEU 552 CO 0.08 0.38 -0.02 0.40 -0.34 0.00 0.00 178.44 178.94 3krq h ILE 553 N 0.80 1.28 -0.99 4.05 2.04 -1.24 -1.81 117.51 121.65 3krq h ILE 553 Ca 0.43 -0.92 0.08 0.00 1.00 0.00 0.00 64.86 65.44 3krq h ILE 553 Cb 0.44 1.63 -0.07 0.00 -0.74 0.00 0.00 36.82 38.08 3krq h ILE 553 CO -0.27 0.27 0.64 0.00 0.00 0.00 0.00 178.15 178.78 3krq h ASP 555 N 1.12 0.00 0.00 0.00 3.32 -0.75 -3.38 116.42 116.73 3krq h ASP 555 Ca 0.44 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.45 3krq h ASP 555 Cb 0.24 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 3krq h ASP 555 CO -0.19 0.01 -0.40 0.59 -1.72 0.00 0.00 179.24 177.54 3krq n ASN 556 N -2.76 1.76 -3.04 6.45 3.02 -0.69 -5.03 115.26 114.97 3krq n ASN 556 Ca 0.03 -3.39 -0.10 0.00 -0.03 0.00 0.00 54.58 51.09 3krq n ASN 556 Cb 0.51 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 39.23 3krq n ASN 556 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3krq s THR 557 N -2.67 0.00 -0.38 3.41 -4.23 -0.76 -4.99 115.64 106.02 3krq s THR 557 Ca 0.34 -1.14 0.06 0.00 -1.18 0.00 0.00 61.69 59.77 3krq s THR 557 Cb 0.33 -2.79 0.54 0.00 1.34 0.00 0.00 72.50 71.91 3krq s THR 557 CO -0.04 0.00 1.62 1.41 -0.54 0.00 0.00 174.62 177.06 3krq n HIS 558 N -0.53 1.98 -3.34 3.99 8.25 -1.26 -4.82 115.22 119.49 3krq n HIS 558 Ca -0.06 -1.90 -0.34 0.00 -0.26 0.00 0.00 57.72 55.15 3krq n HIS 558 Cb 0.60 -0.70 -0.06 0.00 1.12 0.00 0.00 29.99 30.95 3krq n HIS 558 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3krq s ILE 559 N -3.59 4.84 0.00 1.59 -1.09 -1.26 -4.97 121.20 116.72 3krq s ILE 559 Ca 0.51 0.77 0.00 0.00 -2.23 0.00 0.00 60.65 59.70 3krq s ILE 559 Cb 0.44 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 3krq s ILE 559 CO 0.03 0.12 0.36 0.35 -1.23 0.00 0.00 174.94 174.57 3krq n THR 560 N 0.46 0.08 -3.92 2.92 -2.24 -1.26 -4.62 114.28 105.69 3krq n THR 560 Ca -0.03 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.35 3krq n THR 560 Cb 0.52 1.31 -0.16 0.00 -2.10 0.00 0.00 70.33 69.90 3krq n THR 560 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3krq s LYS 561 N -0.08 1.57 0.05 -0.78 -0.14 -1.26 -1.33 119.74 117.77 3krq s LYS 561 Ca 0.00 -0.86 0.00 0.00 -1.36 0.00 0.00 55.97 53.75 3krq s LYS 561 Cb 0.00 -2.45 -0.03 0.00 -1.68 0.00 0.00 37.83 33.66 3krq s LYS 561 CO 0.00 -0.56 -0.05 0.14 -0.76 0.00 0.00 175.35 174.13 3krq s VAL 562 N 1.47 0.36 0.79 3.17 -7.23 -0.62 -4.89 120.40 113.44 3krq s VAL 562 Ca -0.04 -1.55 -0.12 0.00 -1.81 0.00 0.00 61.98 58.47 3krq s VAL 562 Cb -0.18 -1.17 0.07 0.00 0.56 0.00 0.00 36.38 35.66 3krq s VAL 562 CO -0.07 -0.78 1.11 -2.84 -0.31 0.00 0.00 175.10 172.21 3krq s PRO 563 N -3.05 2.14 0.01 4.82 0.02 -1.26 -1.41 135.00 136.26 3krq s PRO 563 Ca 0.01 0.51 -0.01 0.00 0.02 0.00 0.00 61.00 61.53 3krq s PRO 563 Cb 0.01 -1.94 -0.27 0.00 0.02 0.00 0.00 34.50 32.33 3krq s PRO 563 CO -0.05 -1.55 0.88 -0.07 -0.33 0.00 0.00 177.00 175.87 3krq h LEU 564 N -1.03 0.32 -7.35 -5.54 3.38 -1.97 -3.40 115.31 99.72 3krq h LEU 564 Ca -0.47 -0.45 -0.67 0.00 0.09 0.00 0.00 57.88 56.38 3krq h LEU 564 Cb 1.28 -0.10 -0.38 0.00 0.09 0.00 0.00 40.66 41.54 3krq h LEU 564 CO 0.61 1.37 -0.38 -1.00 0.09 0.00 0.00 178.44 179.13 3krq s HIS 565 N -2.62 3.54 0.57 1.13 3.76 -1.26 -4.80 115.29 115.62 3krq s HIS 565 Ca -0.08 -3.04 0.30 0.00 -0.15 0.00 0.00 55.06 52.09 3krq s HIS 565 Cb 0.07 -3.03 1.46 0.00 1.11 0.00 0.00 32.58 32.19 3krq s HIS 565 CO 0.85 -0.72 1.87 0.00 -0.85 0.00 0.00 174.74 175.89 3krq h ALA 566 N 6.25 2.45 0.00 -1.40 0.00 -1.98 -2.95 119.26 121.63 3krq h ALA 566 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3krq h ALA 566 Cb 0.85 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3krq h ALA 566 CO 0.75 -0.89 -0.33 0.74 0.00 0.00 0.00 179.25 179.52 3krq h PHE 567 N 0.00 0.00 -4.23 0.00 0.04 -1.95 -3.41 116.94 107.38 3krq h PHE 567 Ca 0.30 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.59 3krq h PHE 567 Cb 1.43 0.00 0.08 0.00 2.20 0.00 0.00 35.95 39.66 3krq h PHE 567 CO 0.00 0.11 0.34 1.14 -0.60 0.00 0.00 178.31 179.30 3krq s GLN 568 N -3.18 2.53 0.02 1.51 -2.07 -1.11 -1.01 119.66 116.35 3krq s GLN 568 Ca 0.05 0.16 -0.30 0.00 -1.82 0.00 0.00 55.36 53.44 3krq s GLN 568 Cb 0.06 -2.08 -0.07 0.00 -1.09 0.00 0.00 33.01 29.84 3krq s GLN 568 CO 0.71 -1.15 1.51 0.00 -1.32 0.00 0.00 175.29 175.04 3krq s ALA 569 N -3.32 3.62 -0.13 2.60 0.00 -1.24 -3.42 121.76 119.86 3krq s ALA 569 Ca 0.59 1.01 0.02 0.00 0.00 0.00 0.00 51.96 53.57 3krq s ALA 569 Cb -0.11 -3.64 0.02 0.00 0.00 0.00 0.00 23.12 19.39 3krq s ALA 569 CO 0.49 -1.00 -0.18 -0.80 0.00 0.00 0.00 175.76 174.27 3krq s ASN 570 N 2.12 2.77 -0.21 0.00 0.01 -1.26 -4.91 114.94 113.46 3krq s ASN 570 Ca 0.68 -0.52 -0.09 0.00 -0.71 0.00 0.00 52.86 52.22 3krq s ASN 570 Cb -0.35 -1.26 -0.04 0.00 0.41 0.00 0.00 41.25 40.01 3krq s ASN 570 CO 0.29 0.02 0.10 0.20 -1.51 0.00 0.00 177.10 176.20 3krq s ASN 571 N 1.08 5.79 0.25 -1.22 0.01 -1.26 -4.47 114.94 115.11 3krq s ASN 571 Ca -0.03 0.07 -0.26 0.00 -0.71 0.00 0.00 52.86 51.93 3krq s ASN 571 Cb -0.14 -2.02 -0.09 0.00 0.41 0.00 0.00 41.25 39.41 3krq s ASN 571 CO -0.05 0.11 0.87 -0.47 -1.51 0.00 0.00 177.10 176.05 3krq s TYR 572 N 0.75 3.82 -1.17 2.20 5.04 -1.26 0.04 117.35 126.77 3krq s TYR 572 Ca 0.05 1.72 0.23 0.00 -2.44 0.00 0.00 57.07 56.63 3krq s TYR 572 Cb -0.13 -2.85 0.07 0.00 0.35 0.00 0.00 41.96 39.39 3krq s TYR 572 CO 0.02 0.37 1.11 -0.35 -1.34 0.00 0.00 175.55 175.36 3krq n PRO 573 N 1.09 0.19 -0.14 4.97 -0.04 -1.26 -4.89 135.00 134.91 3krq n PRO 573 Ca -0.02 -0.14 -0.03 0.00 -0.04 0.00 0.00 63.50 63.27 3krq n PRO 573 Cb 0.49 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.50 3krq n PRO 573 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3krq h HIS 574 N 0.35 0.05 -0.09 0.54 2.76 -1.97 -1.02 115.15 115.77 3krq h HIS 574 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3krq h HIS 574 Cb 0.53 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.54 3krq h HIS 574 CO 0.00 -0.06 0.00 -0.25 -1.30 0.00 0.00 177.93 176.32 3krq n ASP 575 N -5.17 0.78 -4.54 3.26 8.00 0.11 -4.84 116.55 114.16 3krq n ASP 575 Ca 0.05 -1.63 -0.34 0.00 0.71 0.00 0.00 54.79 53.58 3krq n ASP 575 Cb 0.24 -0.06 -0.12 0.00 -0.02 0.00 0.00 41.12 41.16 3krq n ASP 575 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3krq s PHE 576 N -1.88 2.99 0.49 1.24 0.40 -0.39 -4.27 117.98 116.56 3krq s PHE 576 Ca 0.27 -0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.48 3krq s PHE 576 Cb 0.13 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.81 3krq s PHE 576 CO 0.21 0.13 0.18 0.14 0.70 0.00 0.00 175.22 176.58 3krq s VAL 577 N -0.17 1.67 0.16 -0.44 -7.23 -0.50 -4.87 120.40 109.02 3krq s VAL 577 Ca 0.03 -1.75 -0.13 0.00 -1.81 0.00 0.00 61.98 58.31 3krq s VAL 577 Cb -0.13 -2.42 -0.07 0.00 0.56 0.00 0.00 36.38 34.32 3krq s VAL 577 CO 0.03 0.00 0.55 -0.62 -0.31 0.00 0.00 175.10 174.74 3krq s ASP 578 N -4.01 6.78 0.54 4.85 -1.08 -1.26 -1.59 116.67 120.90 3krq s ASP 578 Ca 0.26 1.04 0.29 0.00 -0.52 0.00 0.00 52.55 53.61 3krq s ASP 578 Cb 0.01 -2.27 1.45 0.00 -1.46 0.00 0.00 42.92 40.65 3krq s ASP 578 CO 0.15 0.06 1.94 0.00 0.52 0.00 0.00 175.17 177.84 3krq h SER 580 N 0.00 0.00 1.57 0.00 4.64 -1.93 -2.27 113.55 115.56 3krq h SER 580 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3krq h SER 580 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3krq h SER 580 CO -0.00 0.02 -0.16 0.74 -0.87 0.00 0.00 176.83 176.56 3krq h THR 581 N 0.00 0.00 -3.17 2.95 2.02 -1.60 -3.46 112.91 109.65 3krq h THR 581 Ca -0.00 -0.72 -0.59 0.00 0.77 0.00 0.00 66.41 65.86 3krq h THR 581 Cb 0.12 1.63 -0.07 0.00 -1.74 0.00 0.00 68.15 68.09 3krq h THR 581 CO 0.00 0.00 -0.21 -0.69 0.37 0.00 0.00 175.52 174.99 3krq s VAL 582 N -3.17 5.15 0.28 3.16 1.01 -0.86 -5.05 120.40 120.92 3krq s VAL 582 Ca 0.08 0.81 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 3krq s VAL 582 Cb 0.09 -3.73 -0.12 0.00 0.00 0.00 0.00 36.38 32.63 3krq s VAL 582 CO 0.66 0.46 1.56 0.47 0.00 0.00 0.00 175.10 178.24 3krq n ASP 583 N 2.80 3.59 -4.91 3.32 8.00 -1.26 -5.01 116.55 123.09 3krq n ASP 583 Ca -0.11 1.14 -0.22 0.00 0.71 0.00 0.00 54.79 56.31 3krq n ASP 583 Cb 0.52 -1.55 0.05 0.00 -0.02 0.00 0.00 41.12 40.12 3krq n ASP 583 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3krq s LYS 584 N -0.42 2.34 -0.32 -1.24 1.02 -1.26 -4.80 119.74 115.05 3krq s LYS 584 Ca 0.65 -0.84 -0.15 0.00 0.02 0.00 0.00 55.97 55.66 3krq s LYS 584 Cb -0.53 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 3krq s LYS 584 CO 0.48 -0.90 0.36 -1.17 -0.92 0.00 0.00 175.35 173.20 3krq s LEU 585 N -4.87 4.33 -0.63 3.17 2.96 -1.26 -4.75 118.68 117.63 3krq s LEU 585 Ca 0.59 -0.11 -0.25 0.00 -0.22 0.00 0.00 54.13 54.14 3krq s LEU 585 Cb -0.09 -2.35 0.04 0.00 0.50 0.00 0.00 46.19 44.29 3krq s LEU 585 CO 0.40 -0.30 1.09 -0.62 -1.32 0.00 0.00 176.35 175.60 3krq s ASP 586 N 1.72 6.27 0.00 3.68 2.15 -1.26 -4.91 116.67 124.32 3krq s ASP 586 Ca 0.12 -0.43 0.30 0.00 0.43 0.00 0.00 52.55 52.97 3krq s ASP 586 Cb -0.16 -2.49 1.54 0.00 -0.30 0.00 0.00 42.92 41.51 3krq s ASP 586 CO 0.11 -1.49 2.05 0.18 -0.17 0.00 0.00 175.17 175.85 3krq n LEU 587 N 8.23 0.10 -0.33 -1.34 4.77 -1.26 -4.34 117.00 122.84 3krq n LEU 587 Ca 0.02 0.17 0.23 0.00 -0.03 0.00 0.00 56.01 56.41 3krq n LEU 587 Cb 0.48 -0.21 0.45 0.00 -2.33 0.00 0.00 43.42 41.81 3krq n LEU 587 CO 0.67 0.02 0.97 0.28 -1.33 0.00 0.00 177.39 178.00 3krq h SER 588 N 0.12 0.06 0.04 -1.43 0.02 -1.99 -1.98 113.55 108.39 3krq h SER 588 Ca 0.00 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3krq h SER 588 Cb 0.24 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3krq h SER 588 CO 0.00 -0.35 0.00 -2.65 -1.14 0.00 0.00 176.83 172.69 3krq n PRO 589 N -5.30 0.09 -0.31 3.45 -0.02 -1.26 -2.64 135.00 129.01 3krq n PRO 589 Ca 0.31 0.12 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 3krq n PRO 589 Cb 1.02 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 33.29 3krq n PRO 589 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3krq n TRP 590 N -1.14 0.81 0.31 6.00 8.01 -0.74 -4.80 117.44 125.89 3krq n TRP 590 Ca 0.02 -0.41 0.01 0.00 -1.31 0.00 0.00 57.50 55.82 3krq n TRP 590 Cb 0.02 0.00 0.07 0.00 -2.01 0.00 0.00 31.31 29.40 3krq n TRP 590 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3krq n ALA 591 N 1.58 1.67 -1.68 6.99 0.00 -1.08 -4.99 120.51 122.99 3krq n ALA 591 Ca 0.23 -0.02 -0.58 0.00 0.00 0.00 0.00 53.44 53.07 3krq n ALA 591 Cb 0.61 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 3krq n ALA 591 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3krq n SER 592 N -0.75 1.95 -4.94 0.00 7.64 -1.26 -4.98 113.62 111.28 3krq n SER 592 Ca 0.02 1.10 -0.20 0.00 1.01 0.00 0.00 58.87 60.80 3krq n SER 592 Cb 0.01 -1.10 -0.02 0.00 -1.01 0.00 0.00 64.21 62.09 3krq n SER 592 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3krq s ARG 593 N 2.68 3.04 0.00 1.43 0.52 -1.26 -5.03 118.95 120.34 3krq s ARG 593 Ca 0.96 -1.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 3krq s ARG 593 Cb -1.12 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 31.63 3krq s ARG 593 CO 0.64 0.14 0.00 0.39 0.02 0.00 0.00 175.30 176.48 3krq n GLU 594 N -1.52 0.00 0.00 3.54 1.02 -1.26 -5.30 120.64 117.12 3krq n GLU 594 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3krq n GLU 594 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.00 3krq n GLU 594 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60