#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krr n THR 2 N 0.00 -7.71 0.50 2.61 -1.04 -1.26 -4.95 114.28 102.43 2krr n THR 2 Ca 0.00 -0.97 -0.19 0.00 -2.04 0.00 0.00 64.05 60.84 2krr n THR 2 Cb 0.00 -5.80 -0.09 0.00 -1.82 0.00 0.00 70.33 62.62 2krr n THR 2 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2krr h GLU 3 N -1.46 -1.22 0.00 -2.82 5.08 -2.08 -3.45 114.58 108.64 2krr h GLU 3 Ca -0.60 0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 57.74 2krr h GLU 3 Cb 1.32 0.28 0.05 0.00 0.50 0.00 0.00 28.75 30.90 2krr h GLU 3 CO 0.47 -0.81 0.03 -0.35 -1.00 0.00 0.00 179.01 177.34 2krr n PRO 4 N -5.45 -1.55 -0.02 2.33 -0.04 -1.26 -5.03 135.00 123.97 2krr n PRO 4 Ca -0.16 -0.43 -0.03 0.00 -0.04 0.00 0.00 63.50 62.84 2krr n PRO 4 Cb 0.50 -0.40 -0.04 0.00 -0.04 0.00 0.00 33.50 33.52 2krr n PRO 4 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2krr n THR 5 N -3.09 0.33 -4.37 0.52 5.66 -1.26 -5.06 114.28 107.01 2krr n THR 5 Ca 0.04 -0.19 -0.25 0.00 -3.05 0.00 0.00 64.05 60.59 2krr n THR 5 Cb 0.15 -0.84 -0.09 0.00 -1.55 0.00 0.00 70.33 67.99 2krr n THR 5 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2krr s THR 6 N -2.12 2.40 -0.37 1.09 -4.23 -1.26 -5.03 115.64 106.12 2krr s THR 6 Ca -0.03 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 2krr s THR 6 Cb 0.02 -2.86 0.52 0.00 1.34 0.00 0.00 72.50 71.51 2krr s THR 6 CO 0.19 -0.12 1.76 0.00 -0.54 0.00 0.00 174.62 175.91 2krr n ALA 7 N -1.00 5.06 -3.52 3.99 0.00 -1.26 -4.66 120.51 119.12 2krr n ALA 7 Ca -0.04 -2.35 -0.28 0.00 0.00 0.00 0.00 53.44 50.77 2krr n ALA 7 Cb 0.64 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.59 2krr n ALA 7 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2krr s PHE 8 N -2.67 1.44 0.18 0.00 0.08 -1.26 -5.01 117.98 110.74 2krr s PHE 8 Ca 0.46 -2.30 0.10 0.00 0.12 0.00 0.00 56.93 55.32 2krr s PHE 8 Cb 0.38 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 2krr s PHE 8 CO 0.08 -0.79 -0.22 -0.80 -0.10 0.00 0.00 175.22 173.39 2krr s ASN 9 N 0.17 3.16 0.04 1.36 0.02 -1.26 -0.44 114.94 117.98 2krr s ASN 9 Ca 0.26 -0.85 0.04 0.00 -1.02 0.00 0.00 52.86 51.29 2krr s ASN 9 Cb -0.08 -0.22 -0.02 0.00 0.02 0.00 0.00 41.25 40.95 2krr s ASN 9 CO -0.11 0.07 -0.12 -1.48 0.02 0.00 0.00 177.10 175.48 2krr s LEU 10 N -2.62 2.20 -0.25 0.60 0.05 -0.30 -4.81 118.68 113.54 2krr s LEU 10 Ca 0.18 -0.48 -0.27 0.00 0.05 0.00 0.00 54.13 53.61 2krr s LEU 10 Cb -0.07 -0.46 0.01 0.00 -2.05 0.00 0.00 46.19 43.61 2krr s LEU 10 CO 0.08 -0.04 0.97 0.12 -0.55 0.00 0.00 176.35 176.94 2krr s PHE 11 N -0.98 3.29 0.26 3.48 2.19 0.88 -1.43 117.98 125.68 2krr s PHE 11 Ca -0.02 1.30 0.09 0.00 0.33 0.00 0.00 56.93 58.64 2krr s PHE 11 Cb -0.08 -3.27 -0.04 0.00 -1.31 0.00 0.00 43.02 38.31 2krr s PHE 11 CO 0.01 -0.51 0.00 0.14 1.83 0.00 0.00 175.22 176.70 2krr s VAL 12 N 3.16 3.50 0.37 3.12 -7.23 0.97 0.89 120.40 125.17 2krr s VAL 12 Ca 0.41 -1.88 -0.05 0.00 -1.81 0.00 0.00 61.98 58.65 2krr s VAL 12 Cb -0.15 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 33.95 2krr s VAL 12 CO 0.08 -0.36 0.57 -0.83 -0.31 0.00 0.00 175.10 174.25 2krr s GLY 13 N -3.65 1.27 -1.18 2.32 0.00 0.11 -1.17 107.32 105.02 2krr s GLY 13 Ca 0.31 -1.36 -0.09 0.00 0.00 0.00 0.00 44.72 43.59 2krr s GLY 13 CO 0.20 -0.83 0.80 -2.01 0.00 0.00 0.00 173.10 171.26 2krr n ASN 14 N -1.53 -4.06 -1.24 1.64 5.15 0.12 0.04 115.26 115.37 2krr n ASN 14 Ca -0.02 -0.85 0.12 0.00 -0.60 0.00 0.00 54.58 53.23 2krr n ASN 14 Cb 0.61 -4.19 0.26 0.00 -0.53 0.00 0.00 39.78 35.93 2krr n ASN 14 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2krr n LEU 15 N -3.95 3.69 -1.26 1.20 4.77 -0.48 -3.27 117.00 117.70 2krr n LEU 15 Ca -0.17 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.08 2krr n LEU 15 Cb 0.63 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2krr n LEU 15 CO 0.65 0.86 -0.34 -3.20 -1.33 0.00 0.00 177.39 174.03 2krr n ASN 16 N 1.56 -7.02 -3.72 -1.43 5.15 -1.25 -4.86 115.26 103.69 2krr n ASN 16 Ca 0.22 0.94 -0.34 0.00 -0.60 0.00 0.00 54.58 54.80 2krr n ASN 16 Cb 0.61 -3.31 -0.05 0.00 -0.53 0.00 0.00 39.78 36.50 2krr n ASN 16 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2krr n PHE 17 N -0.30 3.21 0.00 1.20 -1.74 -1.24 -4.46 117.46 114.14 2krr n PHE 17 Ca 0.00 -3.59 0.00 0.00 -0.56 0.00 0.00 57.45 53.30 2krr n PHE 17 Cb 0.00 -0.87 0.00 0.00 1.52 0.00 0.00 39.48 40.13 2krr n PHE 17 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 2krr n ASN 18 N 1.20 1.81 -4.48 5.98 3.02 -1.26 -5.05 115.26 116.47 2krr n ASN 18 Ca 0.27 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.57 2krr n ASN 18 Cb 0.38 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.68 2krr n ASN 18 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2krr s LYS 19 N -1.60 1.27 1.20 3.52 1.02 -1.26 -5.08 119.74 118.80 2krr s LYS 19 Ca 0.00 -1.02 -0.17 0.00 0.02 0.00 0.00 55.97 54.80 2krr s LYS 19 Cb 0.00 -2.20 0.28 0.00 -0.52 0.00 0.00 37.83 35.40 2krr s LYS 19 CO 0.00 -1.80 1.05 -1.12 -0.92 0.00 0.00 175.35 172.56 2krr s SER 20 N -4.83 0.84 0.01 2.83 0.01 -1.26 -4.91 113.70 106.39 2krr s SER 20 Ca 0.70 0.97 -0.26 0.00 1.31 0.00 0.00 55.95 58.67 2krr s SER 20 Cb -0.04 -1.45 -0.15 0.00 0.21 0.00 0.00 66.02 64.59 2krr s SER 20 CO 0.47 -4.21 1.09 0.00 0.41 0.00 0.00 173.24 171.00 2krr h ALA 21 N -2.64 -0.90 0.00 1.44 0.00 -1.98 -3.07 119.26 112.11 2krr h ALA 21 Ca -0.51 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2krr h ALA 21 Cb 1.32 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2krr h ALA 21 CO 0.42 -0.85 0.00 -0.35 0.00 0.00 0.00 179.25 178.47 2krr n PRO 22 N -5.38 0.18 0.15 0.00 -0.04 -1.26 -2.18 135.00 126.47 2krr n PRO 22 Ca -0.12 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 2krr n PRO 22 Cb 0.36 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.49 2krr n PRO 22 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2krr h GLU 23 N 0.00 0.00 0.14 0.54 4.39 -1.90 -3.31 114.58 114.44 2krr h GLU 23 Ca 0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 2krr h GLU 23 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2krr h GLU 23 CO 0.00 0.00 -1.57 -0.07 -1.16 0.00 0.00 179.01 176.21 2krr h LEU 24 N 0.00 0.48 -0.74 1.33 3.38 -1.42 -3.35 115.31 114.99 2krr h LEU 24 Ca 0.00 -0.65 0.12 0.00 0.09 0.00 0.00 57.88 57.44 2krr h LEU 24 Cb 0.93 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 2krr h LEU 24 CO 0.00 1.54 0.33 0.11 0.09 0.00 0.00 178.44 180.51 2krr h LYS 25 N 0.08 0.50 0.10 1.13 1.57 -1.66 -1.53 116.57 116.76 2krr h LYS 25 Ca -0.26 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2krr h LYS 25 Cb 2.05 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 34.21 2krr h LYS 25 CO 0.18 0.33 -0.39 1.15 -0.57 0.00 0.00 179.45 180.15 2krr h THR 26 N 0.52 0.00 -0.36 -0.16 2.02 -1.69 0.16 112.91 113.39 2krr h THR 26 Ca 0.39 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.63 2krr h THR 26 Cb 0.51 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.86 2krr h THR 26 CO -0.34 0.00 -0.01 1.23 0.37 0.00 0.00 175.52 176.77 2krr h GLY 27 N -0.56 0.34 0.15 2.16 0.00 -1.64 0.27 103.07 103.80 2krr h GLY 27 Ca -0.01 0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.46 2krr h GLY 27 CO -0.21 -0.09 -0.12 -2.22 0.00 0.00 0.00 176.54 173.90 2krr h ILE 28 N 0.08 0.56 0.00 2.60 2.04 -0.97 0.16 117.51 121.98 2krr h ILE 28 Ca 0.18 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 2krr h ILE 28 Cb 0.25 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2krr h ILE 28 CO -0.31 0.00 -0.07 0.77 0.00 0.00 0.00 178.15 178.54 2krr h SER 29 N -0.02 0.00 0.34 1.72 4.64 -0.43 -3.15 113.55 116.64 2krr h SER 29 Ca 0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 2krr h SER 29 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2krr h SER 29 CO -0.43 0.07 -0.16 -0.78 -0.87 0.00 0.00 176.83 174.65 2krr h ASP 30 N 0.00 -0.39 -0.83 4.97 1.82 0.21 -2.83 116.42 119.37 2krr h ASP 30 Ca -0.00 -0.04 0.20 0.00 -0.39 0.00 0.00 57.03 56.79 2krr h ASP 30 Cb 0.68 0.10 -0.12 0.00 0.68 0.00 0.00 39.33 40.67 2krr h ASP 30 CO 0.01 0.07 0.29 1.62 -1.61 0.00 0.00 179.24 179.62 2krr h VAL 31 N -1.09 0.48 -0.77 2.25 3.04 -0.96 0.25 116.25 119.45 2krr h VAL 31 Ca -0.05 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.52 2krr h VAL 31 Cb 0.41 0.11 -0.04 0.00 -2.01 0.00 0.00 31.29 29.76 2krr h VAL 31 CO 0.08 0.06 0.44 -0.26 -1.01 0.00 0.00 177.57 176.88 2krr h PHE 32 N 0.34 1.03 -0.39 3.17 0.04 -1.63 -1.86 116.94 117.64 2krr h PHE 32 Ca 0.50 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.33 2krr h PHE 32 Cb 0.92 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 2krr h PHE 32 CO -0.20 0.70 0.27 0.00 -0.60 0.00 0.00 178.31 178.48 2krr h ALA 33 N 1.42 2.08 0.00 2.45 0.00 -0.23 0.10 119.26 125.07 2krr h ALA 33 Ca 0.28 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2krr h ALA 33 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2krr h ALA 33 CO -0.05 -0.16 -0.27 1.57 0.00 0.00 0.00 179.25 180.35 2krr h LYS 34 N 0.23 0.00 -0.82 0.00 2.10 -1.10 -2.76 116.57 114.23 2krr h LYS 34 Ca 0.18 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.66 2krr h LYS 34 Cb 0.41 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.64 2krr h LYS 34 CO -0.03 0.27 0.21 0.09 -2.00 0.00 0.00 179.45 177.98 2krr n ASN 35 N -3.45 4.18 -2.01 7.07 3.02 0.22 -4.86 115.26 119.44 2krr n ASN 35 Ca -0.00 -2.92 -0.20 0.00 -0.03 0.00 0.00 54.58 51.43 2krr n ASN 35 Cb 0.45 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 2krr n ASN 35 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2krr n ASP 36 N -0.04 -5.53 -4.83 6.41 8.00 -1.04 -4.98 116.55 114.55 2krr n ASP 36 Ca 0.31 0.13 -0.33 0.00 0.71 0.00 0.00 54.79 55.61 2krr n ASP 36 Cb 1.15 -4.62 -0.06 0.00 -0.02 0.00 0.00 41.12 37.57 2krr n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2krr s LEU 37 N -5.26 4.08 -0.14 0.64 1.43 -0.45 -5.01 118.68 113.97 2krr s LEU 37 Ca 0.00 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 2krr s LEU 37 Cb 0.00 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.89 2krr s LEU 37 CO 0.00 0.29 -0.19 0.00 0.23 0.00 0.00 176.35 176.68 2krr s ALA 38 N -1.21 2.06 -0.07 4.21 0.00 -1.26 -3.52 121.76 121.97 2krr s ALA 38 Ca 0.23 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2krr s ALA 38 Cb -0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 2krr s ALA 38 CO 0.14 -0.11 0.04 0.14 0.00 0.00 0.00 175.76 175.96 2krr s VAL 39 N 0.98 4.55 -0.13 0.00 -7.23 -1.26 -3.33 120.40 113.98 2krr s VAL 39 Ca -0.04 -0.25 0.11 0.00 -1.81 0.00 0.00 61.98 59.99 2krr s VAL 39 Cb -0.15 -2.97 -0.23 0.00 0.56 0.00 0.00 36.38 33.59 2krr s VAL 39 CO -0.04 0.54 0.32 1.33 -0.31 0.00 0.00 175.10 176.94 2krr n VAL 40 N 1.86 1.54 -3.64 1.32 0.24 0.21 -4.87 118.33 115.00 2krr n VAL 40 Ca -0.17 -0.78 -0.08 0.00 -2.04 0.00 0.00 64.34 61.27 2krr n VAL 40 Cb 0.54 -0.97 -0.07 0.00 -1.47 0.00 0.00 33.84 31.87 2krr n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2krr s ASP 41 N -6.05 -0.63 -0.05 -1.34 2.15 -1.21 -5.01 116.67 104.53 2krr s ASP 41 Ca -0.12 1.12 0.04 0.00 0.43 0.00 0.00 52.55 54.02 2krr s ASP 41 Cb 0.07 1.19 -0.03 0.00 -0.30 0.00 0.00 42.92 43.86 2krr s ASP 41 CO 0.80 -0.19 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.76 2krr s VAL 42 N 0.81 2.96 0.04 1.11 1.01 -1.26 -0.10 120.40 124.97 2krr s VAL 42 Ca -0.03 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.27 2krr s VAL 42 Cb -0.05 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 2krr s VAL 42 CO -0.09 0.59 -0.22 -0.60 0.00 0.00 0.00 175.10 174.77 2krr s ARG 43 N -0.72 1.96 -0.01 2.72 3.52 0.69 -4.98 118.95 122.13 2krr s ARG 43 Ca 0.11 -1.03 0.06 0.00 -0.13 0.00 0.00 55.73 54.75 2krr s ARG 43 Cb -0.11 -2.09 -0.02 0.00 -1.56 0.00 0.00 34.95 31.18 2krr s ARG 43 CO 0.00 0.53 -0.20 0.42 -0.81 0.00 0.00 175.30 175.24 2krr s ILE 44 N -0.85 1.60 0.49 4.11 -1.09 -1.26 -0.79 121.20 123.41 2krr s ILE 44 Ca 0.13 -0.89 -0.08 0.00 -2.23 0.00 0.00 60.65 57.58 2krr s ILE 44 Cb -0.10 -1.33 0.12 0.00 -1.58 0.00 0.00 42.46 39.57 2krr s ILE 44 CO 0.03 0.43 0.48 0.61 -1.23 0.00 0.00 174.94 175.26 2krr n GLY 45 N 2.52 -2.30 0.09 6.18 0.00 0.10 -4.94 105.19 106.85 2krr n GLY 45 Ca -0.15 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 2krr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2krr h MET 46 N 0.00 0.18 -0.00 1.61 -0.00 -2.01 -3.21 114.93 111.50 2krr h MET 46 Ca -0.17 -0.31 0.00 0.00 -0.00 0.00 0.00 59.70 59.21 2krr h MET 46 Cb 0.51 0.12 0.00 0.00 -0.00 0.00 0.00 31.60 32.23 2krr h MET 46 CO 0.11 1.13 -0.03 -2.37 -0.00 0.00 0.00 176.91 175.76 2krr n THR 47 N -3.46 0.00 -1.55 -0.10 5.66 -1.26 -4.89 114.28 108.68 2krr n THR 47 Ca -0.07 -0.01 -0.19 0.00 -3.05 0.00 0.00 64.05 60.74 2krr n THR 47 Cb 1.00 -0.44 -0.08 0.00 -1.55 0.00 0.00 70.33 69.26 2krr n THR 47 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2krr n ARG 48 N -1.32 -1.49 -0.00 1.09 3.00 -1.21 -4.63 116.66 112.10 2krr n ARG 48 Ca 0.12 1.16 0.08 0.00 -0.01 0.00 0.00 57.85 59.19 2krr n ARG 48 Cb 0.27 -5.54 -0.10 0.00 0.00 0.00 0.00 32.46 27.10 2krr n ARG 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2krr n LYS 49 N -2.12 1.47 -3.96 5.56 0.00 -1.26 -3.62 118.16 114.23 2krr n LYS 49 Ca -0.19 -0.04 -0.11 0.00 0.00 0.00 0.00 58.31 57.98 2krr n LYS 49 Cb 0.66 -1.28 -0.02 0.00 0.00 0.00 0.00 35.03 34.39 2krr n LYS 49 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 2krr s PHE 50 N -2.65 0.45 -1.23 5.64 -0.71 -1.26 0.13 117.98 118.36 2krr s PHE 50 Ca 0.03 -0.88 0.00 0.00 -1.04 0.00 0.00 56.93 55.04 2krr s PHE 50 Cb 0.11 0.35 0.00 0.00 -1.21 0.00 0.00 43.02 42.28 2krr s PHE 50 CO 0.65 -1.24 0.00 0.41 -1.34 0.00 0.00 175.22 173.70 2krr n GLY 51 N -0.49 -0.61 3.18 1.99 0.00 -0.32 0.01 105.19 108.94 2krr n GLY 51 Ca -0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 2krr n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2krr s TYR 52 N -3.36 0.93 -0.05 1.61 1.51 0.03 -0.02 117.35 118.00 2krr s TYR 52 Ca 0.00 -0.93 -0.01 0.00 -1.01 0.00 0.00 57.07 55.12 2krr s TYR 52 Cb 0.00 -0.54 0.03 0.00 -0.11 0.00 0.00 41.96 41.34 2krr s TYR 52 CO 0.00 -0.16 0.01 0.08 -1.11 0.00 0.00 175.55 174.37 2krr s VAL 53 N -3.63 0.22 -0.11 0.71 1.01 -0.51 -0.22 120.40 117.86 2krr s VAL 53 Ca 0.14 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 2krr s VAL 53 Cb 0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 2krr s VAL 53 CO -0.04 0.20 0.19 -1.81 0.00 0.00 0.00 175.10 173.65 2krr s ASP 54 N 1.62 6.44 0.20 3.32 1.01 0.86 -1.15 116.67 128.96 2krr s ASP 54 Ca -0.01 0.52 0.10 0.00 0.71 0.00 0.00 52.55 53.87 2krr s ASP 54 Cb -0.13 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 2krr s ASP 54 CO -0.03 0.34 -0.16 -0.36 0.21 0.00 0.00 175.17 175.17 2krr s PHE 55 N -0.73 2.48 0.14 4.23 0.40 0.41 -0.62 117.98 124.28 2krr s PHE 55 Ca 0.16 -0.29 -0.27 0.00 -0.60 0.00 0.00 56.93 55.93 2krr s PHE 55 Cb -0.13 -1.19 -0.03 0.00 0.51 0.00 0.00 43.02 42.18 2krr s PHE 55 CO 0.05 0.54 1.60 0.93 0.70 0.00 0.00 175.22 179.03 2krr h GLU 56 N 2.89 -0.42 -5.03 0.44 5.08 -1.87 -3.41 114.58 112.27 2krr h GLU 56 Ca -0.46 0.03 -0.54 0.00 -1.00 0.00 0.00 59.36 57.39 2krr h GLU 56 Cb 1.21 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 30.43 2krr h GLU 56 CO 0.53 -0.28 -0.52 -1.12 -1.00 0.00 0.00 179.01 176.62 2krr s SER 57 N -4.91 2.65 0.39 1.42 0.01 -1.26 -4.90 113.70 107.09 2krr s SER 57 Ca -0.15 -1.66 0.08 0.00 1.31 0.00 0.00 55.95 55.53 2krr s SER 57 Cb 0.10 0.48 0.78 0.00 0.21 0.00 0.00 66.02 67.59 2krr s SER 57 CO 0.65 -0.92 1.94 0.00 0.41 0.00 0.00 173.24 175.32 2krr h ALA 58 N 1.84 1.54 0.08 1.44 0.00 -1.94 -2.02 119.26 120.19 2krr h ALA 58 Ca -0.35 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.42 2krr h ALA 58 Cb 1.27 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2krr h ALA 58 CO 0.56 0.34 -0.48 0.93 0.00 0.00 0.00 179.25 180.60 2krr h GLU 59 N 0.33 -0.66 0.00 0.00 5.08 -1.98 0.23 114.58 117.59 2krr h GLU 59 Ca 0.08 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2krr h GLU 59 Cb 0.27 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2krr h GLU 59 CO 0.01 -0.44 -0.24 -0.44 -1.00 0.00 0.00 179.01 176.90 2krr h ASP 60 N -0.68 0.00 0.12 1.42 3.32 -1.91 0.52 116.42 119.21 2krr h ASP 60 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2krr h ASP 60 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2krr h ASP 60 CO -0.29 0.24 -0.06 0.25 -1.72 0.00 0.00 179.24 177.66 2krr h LEU 61 N 0.00 -0.13 0.00 1.55 7.12 -0.48 -3.14 115.31 120.23 2krr h LEU 61 Ca -0.00 -0.27 -0.18 0.00 0.13 0.00 0.00 57.88 57.56 2krr h LEU 61 Cb 0.73 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.86 2krr h LEU 61 CO 0.03 0.21 -0.86 1.05 -0.13 0.00 0.00 178.44 178.74 2krr h GLU 62 N -0.49 0.00 -0.41 1.25 4.11 -0.59 -3.33 114.58 115.13 2krr h GLU 62 Ca -0.02 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.50 2krr h GLU 62 Cb 0.39 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.55 2krr h GLU 62 CO 0.03 0.82 -0.24 0.87 0.07 0.00 0.00 179.01 180.56 2krr h LYS 63 N 0.00 -0.16 -0.30 1.06 1.79 -0.90 0.24 116.57 118.29 2krr h LYS 63 Ca -0.01 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.55 2krr h LYS 63 Cb 1.65 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.32 2krr h LYS 63 CO 0.11 -0.11 0.21 0.00 -1.08 0.00 0.00 179.45 178.58 2krr h ALA 64 N 1.04 2.24 0.00 3.86 0.00 -1.66 0.35 119.26 125.09 2krr h ALA 64 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2krr h ALA 64 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2krr h ALA 64 CO -0.50 -0.32 0.00 1.28 0.00 0.00 0.00 179.25 179.71 2krr n LEU 65 N -4.46 0.00 -0.11 0.00 4.77 0.77 -3.81 117.00 114.16 2krr n LEU 65 Ca 0.04 0.46 -0.21 0.00 -0.03 0.00 0.00 56.01 56.27 2krr n LEU 65 Cb 0.35 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 2krr n LEU 65 CO 0.35 -0.07 -1.14 -0.62 -1.33 0.00 0.00 177.39 174.59 2krr n GLU 66 N -1.46 0.48 -0.48 3.23 -0.58 0.11 -5.02 120.64 116.92 2krr n GLU 66 Ca 0.07 0.21 -0.30 0.00 -0.42 0.00 0.00 57.16 56.72 2krr n GLU 66 Cb 0.27 -1.32 0.28 0.00 -0.57 0.00 0.00 31.44 30.10 2krr n GLU 66 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2krr s LEU 67 N -7.38 -0.50 0.29 -4.62 0.05 -0.15 -5.07 118.68 101.29 2krr s LEU 67 Ca -0.31 0.99 -0.04 0.00 0.05 0.00 0.00 54.13 54.82 2krr s LEU 67 Cb 0.10 -2.56 -0.01 0.00 -2.05 0.00 0.00 46.19 41.67 2krr s LEU 67 CO 0.40 -4.99 0.39 0.28 -0.55 0.00 0.00 176.35 171.88 2krr s THR 68 N -2.38 0.00 0.00 5.48 -1.32 -1.26 -4.93 115.64 111.22 2krr s THR 68 Ca 0.69 -1.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 2krr s THR 68 Cb -0.16 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 2krr s THR 68 CO 0.59 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.61 2krr n GLY 69 N -0.46 0.95 3.50 6.08 0.00 -1.26 -5.06 105.19 108.94 2krr n GLY 69 Ca 0.01 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 2krr n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2krr s LEU 70 N -0.54 3.58 0.06 0.99 1.43 -1.26 -5.08 118.68 117.86 2krr s LEU 70 Ca 0.00 -0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 2krr s LEU 70 Cb 0.00 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.29 2krr s LEU 70 CO 0.00 0.01 0.36 -1.59 0.23 0.00 0.00 176.35 175.35 2krr s LYS 71 N 1.38 0.90 -0.07 1.70 0.00 -1.26 -2.73 119.74 119.66 2krr s LYS 71 Ca 0.05 -0.51 -0.10 0.00 0.00 0.00 0.00 55.97 55.41 2krr s LYS 71 Cb -0.15 0.39 0.02 0.00 0.00 0.00 0.00 37.83 38.10 2krr s LYS 71 CO 0.04 -0.31 0.26 0.14 0.00 0.00 0.00 175.35 175.48 2krr s VAL 72 N -2.82 0.02 -1.87 1.79 -7.23 0.69 -4.76 120.40 106.21 2krr s VAL 72 Ca -0.03 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 2krr s VAL 72 Cb 0.00 -0.43 0.00 0.00 0.56 0.00 0.00 36.38 36.51 2krr s VAL 72 CO -0.05 -0.10 0.00 0.49 -0.31 0.00 0.00 175.10 175.13 2krr n PHE 73 N 2.42 -0.60 0.00 2.82 3.72 -1.26 -1.95 117.46 122.61 2krr n PHE 73 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2krr n PHE 73 Cb 0.57 -3.58 0.00 0.00 -0.94 0.00 0.00 39.48 35.53 2krr n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2krr n GLY 74 N -0.69 2.64 3.80 1.37 0.00 -1.26 -5.02 105.19 106.03 2krr n GLY 74 Ca -0.22 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 2krr n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2krr s ASN 75 N 0.00 5.55 -0.35 1.61 0.01 -0.82 -5.02 114.94 115.91 2krr s ASN 75 Ca 0.00 1.76 -0.13 0.00 -0.71 0.00 0.00 52.86 53.79 2krr s ASN 75 Cb 0.00 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.13 2krr s ASN 75 CO 0.00 -1.33 0.24 -0.70 -1.51 0.00 0.00 177.10 173.80 2krr s GLU 76 N -4.43 3.38 0.88 -0.60 2.12 -1.26 -0.22 118.70 118.57 2krr s GLU 76 Ca 0.62 -0.72 -0.11 0.00 0.36 0.00 0.00 54.97 55.12 2krr s GLU 76 Cb -0.16 -3.81 0.12 0.00 0.26 0.00 0.00 34.13 30.54 2krr s GLU 76 CO 0.44 -0.50 1.10 0.96 -0.54 0.00 0.00 175.26 176.72 2krr s ILE 77 N 1.70 2.73 -0.13 -3.70 -5.25 -1.10 -4.77 121.20 110.67 2krr s ILE 77 Ca 0.06 0.24 0.01 0.00 -0.99 0.00 0.00 60.65 59.97 2krr s ILE 77 Cb -0.18 -2.60 0.02 0.00 2.95 0.00 0.00 42.46 42.65 2krr s ILE 77 CO 0.10 -0.31 -0.17 -0.54 -1.79 0.00 0.00 174.94 172.23 2krr s LYS 78 N -4.83 2.47 -0.10 0.37 1.02 0.11 -4.84 119.74 113.94 2krr s LYS 78 Ca 0.64 -0.64 -0.14 0.00 0.02 0.00 0.00 55.97 55.85 2krr s LYS 78 Cb -0.19 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.94 2krr s LYS 78 CO 0.57 -0.12 0.33 -0.51 -0.92 0.00 0.00 175.35 174.70 2krr s LEU 79 N 1.14 4.35 0.30 3.17 1.02 -1.26 0.06 118.68 127.46 2krr s LEU 79 Ca -0.02 0.69 -0.11 0.00 0.02 0.00 0.00 54.13 54.71 2krr s LEU 79 Cb -0.14 -2.43 0.01 0.00 0.02 0.00 0.00 46.19 43.64 2krr s LEU 79 CO -0.06 0.21 0.54 -1.61 0.02 0.00 0.00 176.35 175.46 2krr s GLU 80 N -0.27 1.78 -0.07 1.70 0.41 0.26 -4.99 118.70 117.52 2krr s GLU 80 Ca 0.20 -1.42 -0.00 0.00 -0.41 0.00 0.00 54.97 53.34 2krr s GLU 80 Cb -0.14 0.50 -0.03 0.00 -1.78 0.00 0.00 34.13 32.67 2krr s GLU 80 CO 0.08 -0.76 -0.04 -1.59 -0.49 0.00 0.00 175.26 172.45 2krr s LYS 81 N -3.44 2.83 0.81 1.61 -2.85 -1.26 -0.08 119.74 117.36 2krr s LYS 81 Ca 0.23 -0.50 -0.14 0.00 -1.00 0.00 0.00 55.97 54.56 2krr s LYS 81 Cb -0.02 -2.67 0.20 0.00 -2.06 0.00 0.00 37.83 33.29 2krr s LYS 81 CO 0.13 0.68 0.72 -0.35 0.10 0.00 0.00 175.35 176.63 2krr n PRO 82 N 2.14 -2.43 -3.55 1.78 -0.04 -1.26 -4.79 135.00 126.85 2krr n PRO 82 Ca -0.18 -1.16 -0.08 0.00 -0.04 0.00 0.00 63.50 62.04 2krr n PRO 82 Cb 0.53 -1.08 -0.03 0.00 -0.04 0.00 0.00 33.50 32.88 2krr n PRO 82 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2krr s LYS 83 N -4.64 0.63 0.00 0.54 2.20 -1.26 -5.05 119.74 112.16 2krr s LYS 83 Ca 0.47 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 2krr s LYS 83 Cb -0.05 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 2krr s LYS 83 CO 0.36 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.51 2krr n GLY 84 N 0.17 2.67 3.60 5.54 0.00 -1.26 -5.03 105.19 110.87 2krr n GLY 84 Ca -0.08 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 2krr n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2krr s LYS 85 N -1.95 3.90 0.30 1.61 2.47 -1.26 -5.01 119.74 119.80 2krr s LYS 85 Ca 0.00 0.24 -0.02 0.00 -1.56 0.00 0.00 55.97 54.63 2krr s LYS 85 Cb 0.00 -3.72 -0.01 0.00 -1.46 0.00 0.00 37.83 32.63 2krr s LYS 85 CO 0.00 -0.54 0.38 0.34 0.16 0.00 0.00 175.35 175.69 2krr s ASP 86 N 1.64 0.72 0.51 1.43 2.15 -1.26 -5.02 116.67 116.84 2krr s ASP 86 Ca 0.23 -1.42 0.34 0.00 0.43 0.00 0.00 52.55 52.14 2krr s ASP 86 Cb -0.15 0.58 1.76 0.00 -0.30 0.00 0.00 42.92 44.81 2krr s ASP 86 CO 0.11 -1.14 2.05 -1.28 -0.17 0.00 0.00 175.17 174.74 2krr h SER 87 N 2.24 0.00 -0.52 -0.34 0.87 -2.04 -2.36 113.55 111.39 2krr h SER 87 Ca -0.29 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.42 2krr h SER 87 Cb 1.24 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 2krr h SER 87 CO 0.40 0.00 0.40 0.07 -0.53 0.00 0.00 176.83 177.18 2krr h LYS 88 N 0.00 0.00 -0.00 2.24 2.10 -1.97 0.24 116.57 119.18 2krr h LYS 88 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2krr h LYS 88 Cb 0.12 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2krr h LYS 88 CO 0.00 0.00 0.01 1.57 -2.00 0.00 0.00 179.45 179.03 2krr h LYS 89 N 0.00 0.00 -0.08 0.07 5.09 -1.82 -2.82 116.57 117.02 2krr h LYS 89 Ca 0.25 0.00 0.04 0.00 0.09 0.00 0.00 60.65 61.03 2krr h LYS 89 Cb 1.05 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 33.32 2krr h LYS 89 CO -0.00 0.00 -0.36 0.93 -2.09 0.00 0.00 179.45 177.93 2krr h GLU 90 N 0.00 -0.45 -0.14 0.07 5.08 -0.74 -0.51 114.58 117.88 2krr h GLU 90 Ca 0.00 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2krr h GLU 90 Cb 0.02 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2krr h GLU 90 CO -0.00 -0.30 -0.20 0.07 -1.00 0.00 0.00 179.01 177.58 2krr h ARG 91 N -0.47 0.24 0.00 2.33 -0.00 -1.61 -1.72 114.38 113.15 2krr h ARG 91 Ca 0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 59.98 59.99 2krr h ARG 91 Cb 0.59 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.53 2krr h ARG 91 CO -0.34 0.44 0.00 -3.47 -0.00 0.00 0.00 179.97 176.60 2krr n ASP 92 N -4.21 0.56 0.00 0.08 2.03 -0.47 -1.99 116.55 112.54 2krr n ASP 92 Ca -0.01 0.65 0.10 0.00 0.52 0.00 0.00 54.79 56.05 2krr n ASP 92 Cb 0.32 -0.77 0.45 0.00 -0.72 0.00 0.00 41.12 40.40 2krr n ASP 92 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2krr n ALA 93 N -1.73 1.95 -4.05 -1.67 0.00 -0.32 -4.88 120.51 109.81 2krr n ALA 93 Ca 0.02 -0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 2krr n ALA 93 Cb 0.20 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2krr n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2krr n ARG 94 N -1.43 -4.39 -1.32 0.00 1.74 -0.84 -4.03 116.66 106.39 2krr n ARG 94 Ca 0.06 0.49 -0.36 0.00 -0.77 0.00 0.00 57.85 57.28 2krr n ARG 94 Cb 0.21 -5.31 0.08 0.00 -1.02 0.00 0.00 32.46 26.42 2krr n ARG 94 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2krr n THR 95 N -4.53 2.52 -3.33 0.55 -1.04 -1.00 -4.37 114.28 103.09 2krr n THR 95 Ca 0.06 -0.37 -0.31 0.00 -2.04 0.00 0.00 64.05 61.38 2krr n THR 95 Cb 0.51 -1.01 -0.05 0.00 -1.82 0.00 0.00 70.33 67.96 2krr n THR 95 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2krr s LEU 96 N -2.45 4.11 0.04 -4.42 2.01 -1.06 -0.47 118.68 116.45 2krr s LEU 96 Ca 0.71 0.96 0.06 0.00 0.01 0.00 0.00 54.13 55.88 2krr s LEU 96 Cb -0.35 -3.74 -0.02 0.00 0.01 0.00 0.00 46.19 42.09 2krr s LEU 96 CO 0.52 -0.13 -0.18 -0.22 1.01 0.00 0.00 176.35 177.35 2krr s LEU 97 N -3.01 2.17 -0.12 1.79 2.96 0.72 -1.75 118.68 121.44 2krr s LEU 97 Ca 0.48 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 2krr s LEU 97 Cb -0.11 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 2krr s LEU 97 CO 0.22 0.11 -0.00 0.00 -1.32 0.00 0.00 176.35 175.36 2krr s ALA 98 N -0.81 3.22 0.29 5.97 0.00 0.12 0.18 121.76 130.73 2krr s ALA 98 Ca 0.05 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.23 2krr s ALA 98 Cb -0.08 -1.55 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 2krr s ALA 98 CO 0.02 0.43 0.11 0.15 0.00 0.00 0.00 175.76 176.46 2krr s LYS 99 N -0.37 1.54 -1.05 0.00 1.02 0.19 -1.85 119.74 119.22 2krr s LYS 99 Ca 0.07 -1.86 -0.06 0.00 0.02 0.00 0.00 55.97 54.14 2krr s LYS 99 Cb -0.12 -0.35 0.01 0.00 -0.52 0.00 0.00 37.83 36.84 2krr s LYS 99 CO 0.02 -0.33 0.91 -1.71 -0.92 0.00 0.00 175.35 173.32 2krr n ASN 100 N -0.68 -4.90 -4.63 2.83 5.15 -1.25 -2.19 115.26 109.59 2krr n ASN 100 Ca -0.01 -0.44 -0.33 0.00 -0.60 0.00 0.00 54.58 53.21 2krr n ASN 100 Cb 0.66 -4.08 -0.10 0.00 -0.53 0.00 0.00 39.78 35.73 2krr n ASN 100 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2krr s LEU 101 N -5.88 3.32 1.12 1.20 1.43 -1.10 -4.45 118.68 114.32 2krr s LEU 101 Ca 0.39 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 2krr s LEU 101 Cb -0.17 -1.87 0.25 0.00 0.03 0.00 0.00 46.19 44.43 2krr s LEU 101 CO 0.57 0.30 1.10 -2.16 0.23 0.00 0.00 176.35 176.40 2krr s PRO 102 N -1.33 -0.56 0.00 1.29 0.04 -1.26 -4.30 135.00 128.87 2krr s PRO 102 Ca 0.17 0.17 0.29 0.00 0.04 0.00 0.00 61.00 61.67 2krr s PRO 102 Cb -0.11 -1.65 1.24 0.00 0.04 0.00 0.00 34.50 34.01 2krr s PRO 102 CO 0.07 -3.32 1.86 0.66 0.04 0.00 0.00 177.00 176.31 2krr n TYR 103 N -4.53 0.00 -1.05 0.56 4.01 -1.26 -3.37 117.16 111.52 2krr n TYR 103 Ca 0.10 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.92 2krr n TYR 103 Cb 0.59 -0.17 0.21 0.00 -0.31 0.00 0.00 39.34 39.66 2krr n TYR 103 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2krr n LYS 104 N -0.93 2.25 -3.13 -0.72 2.85 -1.26 -3.19 118.16 114.04 2krr n LYS 104 Ca 0.15 -2.76 -0.30 0.00 -1.05 0.00 0.00 58.31 54.34 2krr n LYS 104 Cb 0.27 -1.71 -0.04 0.00 -0.65 0.00 0.00 35.03 32.90 2krr n LYS 104 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2krr s VAL 105 N -2.87 4.87 0.13 0.58 0.11 -1.22 -5.08 120.40 116.92 2krr s VAL 105 Ca 0.38 0.47 0.05 0.00 -2.93 0.00 0.00 61.98 59.96 2krr s VAL 105 Cb 0.32 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 2krr s VAL 105 CO 0.06 -0.34 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.48 2krr s THR 106 N -2.14 1.17 0.30 5.04 2.01 -1.26 -4.77 115.64 115.99 2krr s THR 106 Ca 0.49 -1.82 0.03 0.00 0.31 0.00 0.00 61.69 60.70 2krr s THR 106 Cb -0.11 -1.60 0.34 0.00 0.01 0.00 0.00 72.50 71.14 2krr s THR 106 CO 0.27 -0.57 1.62 -0.61 -0.69 0.00 0.00 174.62 174.64 2krr h GLN 107 N 3.26 0.14 -0.64 4.92 4.15 -1.98 0.29 115.11 125.24 2krr h GLN 107 Ca -0.38 -0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.17 2krr h GLN 107 Cb 1.19 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 28.75 2krr h GLN 107 CO 0.56 0.09 0.05 0.22 -1.93 0.00 0.00 178.83 177.82 2krr h ASP 108 N 0.14 -0.20 -1.04 -0.69 1.82 -1.96 0.31 116.42 114.81 2krr h ASP 108 Ca 0.58 0.15 0.28 0.00 -0.39 0.00 0.00 57.03 57.64 2krr h ASP 108 Cb 1.21 0.25 -0.07 0.00 0.68 0.00 0.00 39.33 41.39 2krr h ASP 108 CO -0.73 -0.09 0.70 1.05 -1.61 0.00 0.00 179.24 178.56 2krr h GLU 109 N 0.16 0.26 0.00 0.28 -0.00 -0.82 0.29 114.58 114.74 2krr h GLU 109 Ca 0.34 -0.02 -0.25 0.00 -0.00 0.00 0.00 59.36 59.44 2krr h GLU 109 Cb 0.56 -0.06 -0.04 0.00 -0.00 0.00 0.00 28.75 29.21 2krr h GLU 109 CO -0.52 0.17 -1.56 -0.07 -0.00 0.00 0.00 179.01 177.03 2krr h LEU 110 N 0.26 0.00 -0.07 3.06 3.38 -0.55 -3.31 115.31 118.08 2krr h LEU 110 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 2krr h LEU 110 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2krr h LEU 110 CO -0.19 0.88 0.00 2.29 0.09 0.00 0.00 178.44 181.51 2krr n LYS 111 N -3.02 0.03 0.00 1.13 2.85 0.81 -2.49 118.16 117.46 2krr n LYS 111 Ca -0.14 0.20 0.10 0.00 -1.05 0.00 0.00 58.31 57.43 2krr n LYS 111 Cb 0.98 -1.55 0.44 0.00 -0.65 0.00 0.00 35.03 34.25 2krr n LYS 111 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2krr n GLU 112 N -1.61 0.01 -0.06 -1.58 1.02 -0.08 -1.01 120.64 117.33 2krr n GLU 112 Ca 0.04 0.14 -0.11 0.00 -0.02 0.00 0.00 57.16 57.22 2krr n GLU 112 Cb 0.23 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.11 2krr n GLU 112 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2krr n VAL 113 N -1.49 0.63 -1.57 2.62 0.24 -1.04 -4.70 118.33 113.02 2krr n VAL 113 Ca 0.05 -0.19 -0.27 0.00 -2.04 0.00 0.00 64.34 61.90 2krr n VAL 113 Cb 0.24 -1.42 0.08 0.00 -1.47 0.00 0.00 33.84 31.27 2krr n VAL 113 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 2krr n PHE 114 N -3.30 2.78 0.30 6.34 1.16 -1.18 -4.69 117.46 118.86 2krr n PHE 114 Ca -0.22 -2.50 0.18 0.00 -1.87 0.00 0.00 57.45 53.05 2krr n PHE 114 Cb 0.68 -0.93 0.94 0.00 -1.61 0.00 0.00 39.48 38.55 2krr n PHE 114 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2krr h GLU 115 N 1.85 0.00 0.00 3.97 4.81 -1.34 0.55 114.58 124.43 2krr h GLU 115 Ca 0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 2krr h GLU 115 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2krr h GLU 115 CO 1.13 0.00 -0.28 0.22 -0.73 0.00 0.00 179.01 179.35 2krr h ASP 116 N 0.00 0.00 -2.16 1.04 3.58 -1.84 -3.47 116.42 113.57 2krr h ASP 116 Ca 0.03 -0.08 -0.46 0.00 0.42 0.00 0.00 57.03 56.95 2krr h ASP 116 Cb 0.46 0.00 0.24 0.00 1.72 0.00 0.00 39.33 41.75 2krr h ASP 116 CO -0.00 0.04 -1.26 0.00 -2.88 0.00 0.00 179.24 175.14 2krr n ALA 117 N -1.86 -4.37 0.13 -0.78 0.00 0.19 -4.96 120.51 108.87 2krr n ALA 117 Ca 0.04 -1.32 -0.06 0.00 0.00 0.00 0.00 53.44 52.10 2krr n ALA 117 Cb 0.45 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 2krr n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2krr h ALA 118 N -1.99 -0.53 -2.48 0.00 0.00 -1.86 -3.49 119.26 108.91 2krr h ALA 118 Ca -0.53 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.10 2krr h ALA 118 Cb 1.37 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 19.15 2krr h ALA 118 CO 0.37 -0.51 -0.64 -1.83 0.00 0.00 0.00 179.25 176.65 2krr s GLU 119 N -2.86 1.04 0.03 0.00 -1.05 -0.67 -5.03 118.70 110.15 2krr s GLU 119 Ca -0.05 -1.51 0.02 0.00 -0.15 0.00 0.00 54.97 53.27 2krr s GLU 119 Cb 0.01 0.24 -0.02 0.00 -0.44 0.00 0.00 34.13 33.92 2krr s GLU 119 CO 0.16 -0.31 -0.08 0.42 0.95 0.00 0.00 175.26 176.41 2krr s ILE 120 N -4.08 0.56 -0.21 1.83 1.09 -1.26 -2.57 121.20 116.56 2krr s ILE 120 Ca 0.30 -0.85 -0.04 0.00 -1.10 0.00 0.00 60.65 58.96 2krr s ILE 120 Cb 0.07 -0.58 0.10 0.00 -1.06 0.00 0.00 42.46 41.00 2krr s ILE 120 CO 0.06 -0.22 0.35 -0.13 -0.10 0.00 0.00 174.94 174.91 2krr s ARG 121 N -1.16 0.29 0.39 2.79 1.81 0.85 -4.97 118.95 118.96 2krr s ARG 121 Ca -0.06 0.69 -0.01 0.00 -1.72 0.00 0.00 55.73 54.63 2krr s ARG 121 Cb -0.08 -0.23 -0.03 0.00 -0.45 0.00 0.00 34.95 34.16 2krr s ARG 121 CO 0.00 -0.47 0.63 -1.17 -0.68 0.00 0.00 175.30 173.62 2krr s LEU 122 N 2.52 3.88 -0.31 2.53 2.96 -1.26 0.28 118.68 129.29 2krr s LEU 122 Ca 0.06 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 2krr s LEU 122 Cb -0.14 -3.51 0.07 0.00 0.50 0.00 0.00 46.19 43.11 2krr s LEU 122 CO -0.13 -0.39 0.01 0.54 -1.32 0.00 0.00 176.35 175.06 2krr s VAL 123 N -2.46 2.73 0.01 1.68 0.11 -1.23 -4.86 120.40 116.38 2krr s VAL 123 Ca 0.42 -1.68 0.01 0.00 -2.93 0.00 0.00 61.98 57.80 2krr s VAL 123 Cb -0.10 -2.68 -0.01 0.00 -1.53 0.00 0.00 36.38 32.06 2krr s VAL 123 CO 0.39 -0.24 -0.04 -0.94 -3.33 0.00 0.00 175.10 170.94 2krr s SER 124 N 1.25 0.41 0.04 3.54 1.04 -1.26 -1.35 113.70 117.36 2krr s SER 124 Ca -0.02 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.17 2krr s SER 124 Cb -0.20 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 2krr s SER 124 CO -0.03 -0.10 -0.09 -0.75 0.98 0.00 0.00 173.24 173.24 2krr s LYS 125 N -0.75 0.63 -1.60 4.02 2.20 0.87 -4.78 119.74 120.33 2krr s LYS 125 Ca -0.06 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 2krr s LYS 125 Cb -0.05 -0.51 0.00 0.00 -1.51 0.00 0.00 37.83 35.76 2krr s LYS 125 CO -0.00 0.11 0.00 -3.47 -0.36 0.00 0.00 175.35 171.63 2krr n ASP 126 N 1.79 -5.02 -0.02 1.43 2.03 -1.26 -1.39 116.55 114.11 2krr n ASP 126 Ca -0.20 0.16 -0.00 0.00 0.52 0.00 0.00 54.79 55.27 2krr n ASP 126 Cb 0.55 -4.08 -0.00 0.00 -0.72 0.00 0.00 41.12 36.87 2krr n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krr n GLY 127 N -0.97 0.42 3.15 0.27 0.00 -1.26 -5.01 105.19 101.79 2krr n GLY 127 Ca -0.19 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 2krr n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2krr s LYS 128 N -0.49 0.99 0.64 1.61 -0.14 -0.48 -5.13 119.74 116.74 2krr s LYS 128 Ca 0.00 -0.74 -0.18 0.00 -1.36 0.00 0.00 55.97 53.69 2krr s LYS 128 Cb 0.00 -1.00 -0.01 0.00 -1.68 0.00 0.00 37.83 35.14 2krr s LYS 128 CO 0.00 0.25 1.25 0.45 -0.76 0.00 0.00 175.35 176.54 2krr s SER 129 N -1.06 4.72 0.09 2.83 0.15 -1.19 -0.09 113.70 119.15 2krr s SER 129 Ca 0.02 2.51 0.22 0.00 0.70 0.00 0.00 55.95 59.41 2krr s SER 129 Cb -0.08 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 61.54 2krr s SER 129 CO 0.01 -1.92 0.88 0.29 1.20 0.00 0.00 173.24 173.70 2krr n LYS 130 N -1.94 0.52 0.00 5.44 4.76 -0.46 -4.72 118.16 121.76 2krr n LYS 130 Ca 0.15 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 2krr n LYS 130 Cb 0.49 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 2krr n LYS 130 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2krr n GLY 131 N 1.26 0.92 3.48 0.72 0.00 -1.26 -5.00 105.19 105.31 2krr n GLY 131 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2krr n GLY 131 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2krr s ILE 132 N -2.00 0.62 -0.04 -0.61 -4.36 -1.26 -2.69 121.20 110.85 2krr s ILE 132 Ca 0.00 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.08 2krr s ILE 132 Cb 0.00 -2.42 0.07 0.00 1.25 0.00 0.00 42.46 41.36 2krr s ILE 132 CO 0.00 0.00 0.68 0.00 0.24 0.00 0.00 174.94 175.86 2krr s ALA 133 N -3.27 -1.77 -0.05 2.27 0.00 -0.77 -3.57 121.76 114.60 2krr s ALA 133 Ca 0.27 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.55 2krr s ALA 133 Cb 0.03 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2krr s ALA 133 CO 0.15 -0.39 -0.15 0.71 0.00 0.00 0.00 175.76 176.08 2krr s TYR 134 N -1.33 1.62 -0.05 0.00 2.02 0.14 0.13 117.35 119.88 2krr s TYR 134 Ca -0.10 -0.51 0.04 0.00 -0.37 0.00 0.00 57.07 56.13 2krr s TYR 134 Cb -0.00 -1.11 -0.00 0.00 -0.40 0.00 0.00 41.96 40.44 2krr s TYR 134 CO 0.08 -0.20 -0.16 0.96 -1.57 0.00 0.00 175.55 174.66 2krr s ILE 135 N 0.24 1.37 -0.37 2.71 -0.00 -0.72 -0.10 121.20 124.32 2krr s ILE 135 Ca -0.07 -0.67 -0.05 0.00 -0.00 0.00 0.00 60.65 59.85 2krr s ILE 135 Cb -0.13 -1.19 0.07 0.00 -0.00 0.00 0.00 42.46 41.22 2krr s ILE 135 CO 0.03 0.40 0.15 -0.70 -0.00 0.00 0.00 174.94 174.82 2krr s GLU 136 N 0.16 2.40 0.78 0.37 2.12 -1.06 -2.57 118.70 120.90 2krr s GLU 136 Ca -0.06 -1.46 -0.10 0.00 0.36 0.00 0.00 54.97 53.71 2krr s GLU 136 Cb -0.12 -3.52 0.09 0.00 0.26 0.00 0.00 34.13 30.83 2krr s GLU 136 CO 0.03 -0.85 1.13 -0.06 -0.54 0.00 0.00 175.26 174.96 2krr s PHE 137 N 1.30 2.73 0.08 5.30 0.40 -1.26 -1.67 117.98 124.85 2krr s PHE 137 Ca 0.02 0.54 0.24 0.00 -0.60 0.00 0.00 56.93 57.13 2krr s PHE 137 Cb -0.21 -3.44 0.85 0.00 0.51 0.00 0.00 43.02 40.73 2krr s PHE 137 CO -0.00 -1.73 1.79 0.87 0.70 0.00 0.00 175.22 176.85 2krr h LYS 138 N -0.93 0.00 -2.35 0.44 6.56 -1.96 -3.45 116.57 114.88 2krr h LYS 138 Ca -0.45 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.06 2krr h LYS 138 Cb 1.31 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 32.76 2krr h LYS 138 CO 0.60 0.22 -0.02 -0.08 -2.06 0.00 0.00 179.45 178.11 2krr s THR 139 N -3.57 0.01 0.54 -0.16 -1.32 -1.26 -5.02 115.64 104.86 2krr s THR 139 Ca 0.01 -0.06 0.31 0.00 -1.21 0.00 0.00 61.69 60.74 2krr s THR 139 Cb 0.10 -0.82 0.47 0.00 -1.51 0.00 0.00 72.50 70.73 2krr s THR 139 CO 0.64 -0.03 1.90 -0.33 -2.21 0.00 0.00 174.62 174.59 2krr h GLU 140 N 4.62 0.00 -0.37 7.08 5.08 -1.87 0.28 114.58 129.40 2krr h GLU 140 Ca -0.28 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.96 2krr h GLU 140 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2krr h GLU 140 CO 0.22 0.00 -0.25 0.00 -1.00 0.00 0.00 179.01 177.98 2krr h ALA 141 N 1.56 0.87 -0.12 3.43 0.00 -1.95 -1.23 119.26 121.82 2krr h ALA 141 Ca 0.39 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 2krr h ALA 141 Cb 1.61 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.26 2krr h ALA 141 CO -0.00 0.63 -0.72 -0.44 0.00 0.00 0.00 179.25 178.72 2krr h ASP 142 N 0.65 0.85 0.77 0.00 5.19 -0.88 -2.71 116.42 120.28 2krr h ASP 142 Ca 0.09 -0.65 -0.04 0.00 -0.62 0.00 0.00 57.03 55.81 2krr h ASP 142 Cb 0.76 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 40.02 2krr h ASP 142 CO 0.06 1.36 -0.37 0.00 -3.12 0.00 0.00 179.24 177.17 2krr h ALA 143 N 0.51 -1.03 -0.38 3.45 0.00 -1.28 0.22 119.26 120.74 2krr h ALA 143 Ca -0.05 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.74 2krr h ALA 143 Cb 1.36 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 2krr h ALA 143 CO 0.15 -0.96 0.38 1.05 0.00 0.00 0.00 179.25 179.87 2krr h GLU 144 N -1.28 0.00 0.21 0.00 4.11 -1.35 0.50 114.58 116.78 2krr h GLU 144 Ca -0.11 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.00 2krr h GLU 144 Cb 0.79 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.07 2krr h GLU 144 CO 0.17 0.00 -1.40 -0.22 0.07 0.00 0.00 179.01 177.63 2krr h LYS 145 N 0.00 0.49 0.00 1.06 3.64 -1.28 -3.24 116.57 117.24 2krr h LYS 145 Ca 0.18 -0.82 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 2krr h LYS 145 Cb 0.94 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2krr h LYS 145 CO -0.00 1.39 0.00 1.15 -2.27 0.00 0.00 179.45 179.72 2krr h THR 146 N 0.15 0.00 -0.33 1.00 2.02 0.12 -2.88 112.91 113.00 2krr h THR 146 Ca -0.22 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 66.67 2krr h THR 146 Cb 2.10 1.29 -0.07 0.00 -1.74 0.00 0.00 68.15 69.73 2krr h THR 146 CO 0.26 0.00 -0.51 0.15 0.37 0.00 0.00 175.52 175.79 2krr h PHE 147 N 0.00 -1.55 0.20 3.16 3.57 -1.41 0.60 116.94 121.51 2krr h PHE 147 Ca 0.00 0.07 -0.33 0.00 3.53 0.00 0.00 57.97 61.24 2krr h PHE 147 Cb 0.34 0.72 0.02 0.00 2.79 0.00 0.00 35.95 39.82 2krr h PHE 147 CO 0.00 -0.46 -1.55 1.05 -2.23 0.00 0.00 178.31 175.12 2krr h GLU 148 N -0.39 0.42 -0.22 1.11 -0.00 -1.78 -1.00 114.58 112.71 2krr h GLU 148 Ca 0.06 -0.72 0.06 0.00 -0.00 0.00 0.00 59.36 58.77 2krr h GLU 148 Cb 0.56 0.27 -0.01 0.00 -0.00 0.00 0.00 28.75 29.56 2krr h GLU 148 CO -0.52 1.33 0.21 1.49 -0.00 0.00 0.00 179.01 181.52 2krr h GLU 149 N 0.11 0.00 0.00 1.06 4.81 -1.30 -1.98 114.58 117.28 2krr h GLU 149 Ca -0.27 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.67 2krr h GLU 149 Cb 2.10 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.43 2krr h GLU 149 CO 0.22 0.00 -2.17 0.36 -0.73 0.00 0.00 179.01 176.69 2krr n LYS 150 N -3.97 1.08 -1.77 1.92 -0.00 0.21 -4.98 118.16 110.64 2krr n LYS 150 Ca 0.02 -0.03 -0.40 0.00 -0.00 0.00 0.00 58.31 57.90 2krr n LYS 150 Cb 0.35 -1.45 0.01 0.00 -0.00 0.00 0.00 35.03 33.94 2krr n LYS 150 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2krr n GLN 151 N -2.60 2.46 0.00 -1.58 -0.06 -0.38 -3.64 117.38 111.58 2krr n GLN 151 Ca -0.26 0.87 0.00 0.00 -2.00 0.00 0.00 57.00 55.61 2krr n GLN 151 Cb 1.01 -2.66 0.00 0.00 -4.06 0.00 0.00 30.24 24.53 2krr n GLN 151 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2krr n GLY 152 N 0.51 1.28 3.85 1.69 0.00 -1.26 -4.91 105.19 106.35 2krr n GLY 152 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2krr n GLY 152 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2krr s THR 153 N -2.00 4.43 0.04 2.61 -1.32 -1.24 -5.03 115.64 113.13 2krr s THR 153 Ca 0.00 0.88 0.08 0.00 -1.21 0.00 0.00 61.69 61.44 2krr s THR 153 Cb 0.00 -3.68 -0.03 0.00 -1.51 0.00 0.00 72.50 67.28 2krr s THR 153 CO 0.00 -0.94 -0.23 -1.61 -2.21 0.00 0.00 174.62 169.63 2krr s GLU 154 N -4.87 1.57 -0.19 7.08 2.02 -1.26 -3.38 118.70 119.67 2krr s GLU 154 Ca 0.57 -0.97 -0.14 0.00 0.02 0.00 0.00 54.97 54.45 2krr s GLU 154 Cb -0.12 -1.68 0.06 0.00 0.10 0.00 0.00 34.13 32.48 2krr s GLU 154 CO 0.49 0.44 0.49 0.42 0.02 0.00 0.00 175.26 177.12 2krr s ILE 155 N -0.76 -0.01 -1.74 -1.63 1.09 0.11 -4.88 121.20 113.38 2krr s ILE 155 Ca 0.09 0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.67 2krr s ILE 155 Cb -0.09 -0.71 0.00 0.00 -1.06 0.00 0.00 42.46 40.60 2krr s ILE 155 CO 0.01 0.01 0.00 -0.67 -0.10 0.00 0.00 174.94 174.20 2krr n ASP 156 N 3.58 -5.02 0.00 3.58 -0.08 -1.26 -1.85 116.55 115.50 2krr n ASP 156 Ca -0.18 0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 2krr n ASP 156 Cb 0.56 -4.02 0.00 0.00 2.34 0.00 0.00 41.12 40.00 2krr n ASP 156 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2krr n GLY 157 N -0.92 2.96 3.16 0.27 0.00 -1.26 -5.02 105.19 104.39 2krr n GLY 157 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 2krr n GLY 157 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2krr n ARG 158 N -0.42 0.43 -4.08 1.61 1.85 -0.77 -5.08 116.66 110.20 2krr n ARG 158 Ca 0.00 -2.41 -0.33 0.00 -1.00 0.00 0.00 57.85 54.11 2krr n ARG 158 Cb 0.00 -0.33 -0.15 0.00 -1.05 0.00 0.00 32.46 30.93 2krr n ARG 158 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2krr s SER 159 N -4.06 3.55 0.14 2.89 0.01 -1.26 0.05 113.70 115.01 2krr s SER 159 Ca 0.51 -0.75 -0.30 0.00 1.31 0.00 0.00 55.95 56.72 2krr s SER 159 Cb -0.04 -1.53 -0.07 0.00 0.21 0.00 0.00 66.02 64.59 2krr s SER 159 CO 0.33 -0.04 1.05 0.27 0.41 0.00 0.00 173.24 175.26 2krr s ILE 160 N 1.29 4.14 0.12 1.44 -4.36 -1.22 -4.91 121.20 117.70 2krr s ILE 160 Ca 0.03 1.79 0.05 0.00 -0.26 0.00 0.00 60.65 62.26 2krr s ILE 160 Cb -0.14 -4.14 -0.04 0.00 1.25 0.00 0.00 42.46 39.38 2krr s ILE 160 CO -0.10 0.28 0.01 -0.44 0.24 0.00 0.00 174.94 174.93 2krr s SER 161 N 0.02 5.00 0.08 4.36 0.01 -0.93 -4.49 113.70 117.75 2krr s SER 161 Ca 0.49 -0.23 0.10 0.00 1.31 0.00 0.00 55.95 57.62 2krr s SER 161 Cb -0.27 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 64.76 2krr s SER 161 CO 0.32 0.14 -0.26 -0.22 0.41 0.00 0.00 173.24 173.64 2krr s LEU 162 N -2.53 2.28 -0.15 2.44 2.96 -1.26 -0.63 118.68 121.78 2krr s LEU 162 Ca 0.27 -0.64 -0.07 0.00 -0.22 0.00 0.00 54.13 53.47 2krr s LEU 162 Cb -0.11 -1.29 0.06 0.00 0.50 0.00 0.00 46.19 45.36 2krr s LEU 162 CO 0.19 0.22 0.33 -0.31 -1.32 0.00 0.00 176.35 175.46 2krr s TYR 163 N -0.93 -0.52 0.33 5.38 1.51 0.13 -4.95 117.35 118.29 2krr s TYR 163 Ca 0.13 1.12 -0.28 0.00 -1.01 0.00 0.00 57.07 57.03 2krr s TYR 163 Cb -0.10 0.14 -0.10 0.00 -0.11 0.00 0.00 41.96 41.79 2krr s TYR 163 CO 0.04 -0.35 1.20 1.52 -1.11 0.00 0.00 175.55 176.86 2krr s TYR 164 N 1.86 3.25 0.09 2.71 -0.85 -1.26 -0.20 117.35 122.96 2krr s TYR 164 Ca -0.05 1.55 -0.25 0.00 -0.52 0.00 0.00 57.07 57.79 2krr s TYR 164 Cb -0.11 -3.48 0.07 0.00 0.38 0.00 0.00 41.96 38.83 2krr s TYR 164 CO -0.11 -1.26 0.64 -0.08 -1.52 0.00 0.00 175.55 173.22 2krr s THR 165 N -1.20 0.00 -0.07 -3.49 -1.32 0.38 -4.88 115.64 105.05 2krr s THR 165 Ca 0.49 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.87 2krr s THR 165 Cb -0.35 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.61 2krr s THR 165 CO 0.46 0.00 -0.19 0.61 -2.21 0.00 0.00 174.62 173.29 2krr n GLY 166 N -0.03 -0.37 3.86 6.08 0.00 -1.26 -2.37 105.19 111.10 2krr n GLY 166 Ca -0.17 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 2krr n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2krr s GLU 167 N -2.26 3.89 0.77 1.61 8.01 -1.26 -3.91 118.70 125.56 2krr s GLU 167 Ca -0.16 0.66 -0.10 0.00 0.01 0.00 0.00 54.97 55.38 2krr s GLU 167 Cb 0.02 -2.33 0.06 0.00 -4.31 0.00 0.00 34.13 27.57 2krr s GLU 167 CO 0.23 -0.05 1.09 -1.25 0.01 0.00 0.00 175.26 175.30 2krr s PRO 168 N -3.67 2.24 0.49 0.39 0.04 -1.26 -5.08 135.00 128.15 2krr s PRO 168 Ca 0.54 1.17 0.05 0.00 0.04 0.00 0.00 61.00 62.80 2krr s PRO 168 Cb -0.10 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 2krr s PRO 168 CO 0.27 -1.66 0.23 0.15 0.04 0.00 0.00 177.00 176.03 2krr s LYS 169 N -4.90 2.23 -1.91 4.56 1.02 -1.26 -4.66 119.74 114.82 2krr s LYS 169 Ca 0.61 -2.07 0.00 0.00 0.02 0.00 0.00 55.97 54.53 2krr s LYS 169 Cb -0.17 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 2krr s LYS 169 CO 0.56 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 2krr n GLY 170 N -1.47 1.21 0.14 -3.33 0.00 -1.26 -4.84 105.19 95.65 2krr n GLY 170 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2krr n GLY 170 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2krr h GLU 171 N 0.00 0.44 0.00 1.61 4.11 -2.02 -3.42 114.58 115.29 2krr h GLU 171 Ca -0.40 -0.75 0.00 0.00 0.07 0.00 0.00 59.36 58.28 2krr h GLU 171 Cb 1.26 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2krr h GLU 171 CO 0.56 1.36 -0.20 0.41 0.07 0.00 0.00 179.01 181.21 2krr n GLY 172 N 1.80 -0.16 0.12 1.06 0.00 -1.26 -4.93 105.19 101.82 2krr n GLY 172 Ca -0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 2krr n GLY 172 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2krr h LEU 173 N 0.00 -0.15 -0.73 0.99 3.38 -1.96 -3.56 115.31 113.29 2krr h LEU 173 Ca 0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2krr h LEU 173 Cb 1.16 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2krr h LEU 173 CO 0.00 0.34 0.00 -0.62 0.09 0.00 0.00 178.44 178.25