#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rkq s VAL 12 N 0.00 -0.02 0.65 2.62 0.11 -1.26 -4.96 120.40 117.54 2rkq s VAL 12 Ca 0.00 0.09 -0.16 0.00 -2.93 0.00 0.00 61.98 58.98 2rkq s VAL 12 Cb 0.00 -0.35 -0.00 0.00 -1.53 0.00 0.00 36.38 34.50 2rkq s VAL 12 CO 0.00 0.04 1.16 -2.84 -3.33 0.00 0.00 175.10 170.12 2rkq s PRO 13 N 0.78 2.72 -0.12 1.54 0.02 -1.26 -5.02 135.00 133.67 2rkq s PRO 13 Ca -0.05 1.61 0.03 0.00 0.02 0.00 0.00 61.00 62.60 2rkq s PRO 13 Cb -0.07 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.53 2rkq s PRO 13 CO -0.05 -1.35 -0.22 0.42 -0.33 0.00 0.00 177.00 175.47 2rkq s ILE 14 N -2.02 2.19 -0.63 2.83 -1.09 -1.26 -4.34 121.20 116.89 2rkq s ILE 14 Ca 0.72 -0.96 -0.28 0.00 -2.23 0.00 0.00 60.65 57.90 2rkq s ILE 14 Cb -0.25 -1.86 0.03 0.00 -1.58 0.00 0.00 42.46 38.79 2rkq s ILE 14 CO 0.39 0.55 1.27 -0.69 -1.23 0.00 0.00 174.94 175.23 2rkq s VAL 15 N 0.50 3.87 0.88 2.92 1.01 0.10 -4.94 120.40 124.74 2rkq s VAL 15 Ca -0.14 0.70 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 2rkq s VAL 15 Cb -0.17 -4.72 0.12 0.00 0.00 0.00 0.00 36.38 31.61 2rkq s VAL 15 CO 0.05 -1.46 1.09 0.42 0.00 0.00 0.00 175.10 175.21 2rkq s THR 16 N 5.48 2.75 0.24 3.92 -4.23 -1.26 -0.70 115.64 121.85 2rkq s THR 16 Ca 0.43 0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 61.14 2rkq s THR 16 Cb -0.08 -2.65 0.22 0.00 1.34 0.00 0.00 72.50 71.32 2rkq s THR 16 CO 0.22 -0.32 1.71 0.03 -0.54 0.00 0.00 174.62 175.72 2rkq h ARG 17 N -1.52 0.35 -0.67 3.99 3.08 -1.93 0.23 114.38 117.91 2rkq h ARG 17 Ca -0.48 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 2rkq h ARG 17 Cb 1.27 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 2rkq h ARG 17 CO 0.52 0.23 0.33 0.00 -1.07 0.00 0.00 179.97 179.98 2rkq h ALA 18 N 1.57 1.32 0.00 0.04 0.00 -1.90 -1.03 119.26 119.26 2rkq h ALA 18 Ca 0.41 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2rkq h ALA 18 Cb 0.66 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2rkq h ALA 18 CO -0.45 0.53 -0.14 0.93 0.00 0.00 0.00 179.25 180.13 2rkq h GLU 19 N 0.95 0.00 -0.57 0.00 5.08 -1.30 -1.54 114.58 117.20 2rkq h GLU 19 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2rkq h GLU 19 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2rkq h GLU 19 CO -0.03 0.14 0.00 -2.67 -1.00 0.00 0.00 179.01 175.45 2rkq n TRP 20 N -3.40 0.96 -3.64 4.33 4.27 -0.91 -4.95 117.44 114.11 2rkq n TRP 20 Ca -0.01 -0.55 -0.23 0.00 -3.89 0.00 0.00 57.50 52.82 2rkq n TRP 20 Cb 0.33 -0.09 0.06 0.00 -1.36 0.00 0.00 31.31 30.24 2rkq n TRP 20 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 2rkq n ASN 21 N 1.04 -3.84 -4.71 -0.67 5.15 -0.58 -4.75 115.26 106.90 2rkq n ASN 21 Ca 0.21 -0.67 -0.36 0.00 -0.60 0.00 0.00 54.58 53.16 2rkq n ASN 21 Cb 0.66 -4.62 0.08 0.00 -0.53 0.00 0.00 39.78 35.37 2rkq n ASN 21 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rkq n ALA 22 N -4.56 0.88 -1.83 5.20 0.00 -0.47 -5.00 120.51 114.74 2rkq n ALA 22 Ca -0.13 -0.06 -0.33 0.00 0.00 0.00 0.00 53.44 52.93 2rkq n ALA 22 Cb 0.61 -2.30 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 2rkq n ALA 22 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2rkq s LYS 23 N -3.45 4.08 0.77 0.00 1.02 -1.26 -4.90 119.74 115.99 2rkq s LYS 23 Ca 0.81 1.03 -0.11 0.00 0.02 0.00 0.00 55.97 57.72 2rkq s LYS 23 Cb -0.37 -2.16 0.05 0.00 -0.52 0.00 0.00 37.83 34.84 2rkq s LYS 23 CO 0.42 -0.16 1.08 -1.25 -0.92 0.00 0.00 175.35 174.53 2rkq s PRO 24 N -3.65 2.34 0.60 -1.68 0.04 -1.26 -4.99 135.00 126.41 2rkq s PRO 24 Ca 0.60 0.92 -0.19 0.00 0.04 0.00 0.00 61.00 62.37 2rkq s PRO 24 Cb -0.09 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2rkq s PRO 24 CO 0.23 -1.51 1.11 -2.30 0.04 0.00 0.00 177.00 174.56 2rkq n PRO 25 N -3.40 1.06 -3.79 0.56 -0.02 -1.26 -4.97 135.00 123.18 2rkq n PRO 25 Ca 0.08 0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 61.67 2rkq n PRO 25 Cb 0.54 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.57 2rkq n PRO 25 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2rkq s ASN 26 N -1.24 3.93 0.00 2.55 6.03 0.32 -5.02 114.94 121.52 2rkq s ASN 26 Ca 0.77 -2.55 0.00 0.00 -1.03 0.00 0.00 52.86 50.05 2rkq s ASN 26 Cb -0.41 -1.19 0.00 0.00 -3.03 0.00 0.00 41.25 36.62 2rkq s ASN 26 CO 0.45 -0.29 0.00 0.61 -2.03 0.00 0.00 177.10 175.85 2rkq n GLY 26 N 3.67 4.30 3.76 0.45 0.00 -1.26 -4.39 105.19 111.72 2rkq n GLY 26 Ca 0.06 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 2rkq n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkq s ALA 27 N -1.82 2.67 -0.06 4.61 0.00 -1.26 -4.85 121.76 121.06 2rkq s ALA 27 Ca 0.00 1.03 0.03 0.00 0.00 0.00 0.00 51.96 53.02 2rkq s ALA 27 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2rkq s ALA 27 CO 0.00 -1.06 -0.15 0.42 0.00 0.00 0.00 175.76 174.97 2rkq s ILE 28 N -1.56 1.32 0.60 0.00 1.01 -1.26 -4.83 121.20 116.48 2rkq s ILE 28 Ca 0.74 -0.62 -0.19 0.00 0.00 0.00 0.00 60.65 60.58 2rkq s ILE 28 Cb -0.31 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 2rkq s ILE 28 CO 0.35 0.39 1.24 -1.81 0.00 0.00 0.00 174.94 175.11 2rkq s ASP 29 N 0.34 5.04 0.49 3.58 1.01 -1.26 -4.82 116.67 121.04 2rkq s ASP 29 Ca -0.10 2.49 -0.09 0.00 0.71 0.00 0.00 52.55 55.56 2rkq s ASP 29 Cb -0.14 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.14 2rkq s ASP 29 CO 0.03 -1.70 0.86 -0.94 0.21 0.00 0.00 175.17 173.63 2rkq s SER 30 N -1.48 6.38 0.09 0.27 1.04 -1.26 -0.42 113.70 118.32 2rkq s SER 30 Ca 0.78 1.17 0.05 0.00 0.48 0.00 0.00 55.95 58.44 2rkq s SER 30 Cb -0.33 -2.35 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 2rkq s SER 30 CO 0.36 -0.59 -0.14 -0.04 0.98 0.00 0.00 173.24 173.81 2rkq s MET 31 N -4.48 0.92 -0.22 4.02 -1.94 0.01 -4.55 119.30 113.05 2rkq s MET 31 Ca 0.52 -1.09 -0.22 0.00 -1.71 0.00 0.00 55.69 53.18 2rkq s MET 31 Cb -0.10 -0.85 -0.02 0.00 2.01 0.00 0.00 34.83 35.86 2rkq s MET 31 CO 0.41 0.18 0.68 0.08 -0.01 0.00 0.00 175.02 176.36 2rkq s VAL 32 N -1.72 4.97 0.15 -6.03 1.01 -1.26 -4.53 120.40 112.98 2rkq s VAL 32 Ca 0.03 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.28 2rkq s VAL 32 Cb -0.07 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2rkq s VAL 32 CO 0.02 0.05 0.32 0.42 0.00 0.00 0.00 175.10 175.91 2rkq s THR 33 N 2.25 5.28 0.41 3.92 -4.23 -1.26 -4.15 115.64 117.86 2rkq s THR 33 Ca 0.30 -0.43 -0.25 0.00 -1.18 0.00 0.00 61.69 60.13 2rkq s THR 33 Cb -0.16 -3.70 -0.08 0.00 1.34 0.00 0.00 72.50 69.90 2rkq s THR 33 CO 0.10 -0.06 1.16 -2.16 -0.54 0.00 0.00 174.62 173.11 2rkq s PRO 34 N -3.06 4.00 0.19 3.99 0.04 -1.20 -5.03 135.00 133.93 2rkq s PRO 34 Ca 0.37 1.79 -0.28 0.00 0.04 0.00 0.00 61.00 62.92 2rkq s PRO 34 Cb -0.12 -2.61 -0.08 0.00 0.04 0.00 0.00 34.50 31.74 2rkq s PRO 34 CO 0.28 -0.35 0.88 -0.51 0.04 0.00 0.00 177.00 177.34 2rkq s LEU 35 N -2.62 4.60 0.36 -3.56 1.43 0.33 -4.50 118.68 114.72 2rkq s LEU 35 Ca 0.58 1.81 0.27 0.00 -1.03 0.00 0.00 54.13 55.76 2rkq s LEU 35 Cb -0.29 -3.48 1.06 0.00 0.03 0.00 0.00 46.19 43.51 2rkq s LEU 35 CO 0.37 0.14 1.81 1.55 0.23 0.00 0.00 176.35 180.45 2rkq h PRO 36 N 4.45 0.00 -4.44 1.29 0.14 -1.86 0.30 132.00 131.87 2rkq h PRO 36 Ca -0.45 0.00 -0.26 0.00 0.14 0.00 0.00 66.00 65.43 2rkq h PRO 36 Cb 1.20 0.00 -0.22 0.00 0.14 0.00 0.00 31.00 32.13 2rkq h PRO 36 CO 0.68 0.00 -0.73 1.03 0.14 0.00 0.00 178.00 179.12 2rkq s ARG 37 N -3.41 0.48 -0.05 0.86 0.52 -0.86 -1.43 118.95 115.06 2rkq s ARG 37 Ca 0.04 -0.68 0.06 0.00 -0.52 0.00 0.00 55.73 54.63 2rkq s ARG 37 Cb 0.09 -0.23 -0.01 0.00 0.52 0.00 0.00 34.95 35.32 2rkq s ARG 37 CO 0.48 0.04 -0.24 0.00 0.02 0.00 0.00 175.30 175.60 2rkq s ALA 38 N -1.28 2.05 -0.13 2.13 0.00 -0.01 -0.48 121.76 124.04 2rkq s ALA 38 Ca -0.10 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.89 2rkq s ALA 38 Cb -0.09 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.41 2rkq s ALA 38 CO 0.00 0.41 -0.20 0.08 0.00 0.00 0.00 175.76 176.05 2rkq s VAL 39 N -0.19 1.90 -0.25 0.00 1.01 0.68 -0.58 120.40 122.97 2rkq s VAL 39 Ca -0.02 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 2rkq s VAL 39 Cb -0.13 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2rkq s VAL 39 CO 0.03 0.52 0.16 -0.63 0.00 0.00 0.00 175.10 175.18 2rkq s ILE 40 N 0.82 5.30 0.34 2.22 -1.09 0.25 -1.06 121.20 127.98 2rkq s ILE 40 Ca -0.08 0.16 0.08 0.00 -2.23 0.00 0.00 60.65 58.58 2rkq s ILE 40 Cb -0.16 -3.48 -0.07 0.00 -1.58 0.00 0.00 42.46 37.18 2rkq s ILE 40 CO -0.01 0.33 -0.05 0.00 -1.23 0.00 0.00 174.94 173.98 2rkq s ALA 41 N 1.18 2.84 0.28 9.38 0.00 0.17 -0.35 121.76 135.26 2rkq s ALA 41 Ca 0.07 -2.10 0.11 0.00 0.00 0.00 0.00 51.96 50.04 2rkq s ALA 41 Cb -0.14 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 2rkq s ALA 41 CO 0.05 -0.02 -0.10 -3.38 0.00 0.00 0.00 175.76 172.31 2rkq s HIS 42 N -2.76 2.46 -0.41 0.00 -3.43 -1.26 -0.61 115.29 109.29 2rkq s HIS 42 Ca 0.33 -0.31 0.23 0.00 -0.80 0.00 0.00 55.06 54.51 2rkq s HIS 42 Cb 0.05 -1.13 0.28 0.00 -1.43 0.00 0.00 32.58 30.35 2rkq s HIS 42 CO 0.16 0.65 1.51 1.79 -2.00 0.00 0.00 174.74 176.85 2rkq h THR 43 N 2.08 0.00 0.00 -5.38 1.35 -1.05 -3.46 112.91 106.45 2rkq h THR 43 Ca -0.42 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 2rkq h THR 43 Cb 1.25 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 2rkq h THR 43 CO 0.61 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 2rkq n ALA 44 N -2.11 0.00 -1.93 6.62 0.00 0.17 -4.92 120.51 118.35 2rkq n ALA 44 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2rkq n ALA 44 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2rkq n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rkq n GLY 45 N -2.00 1.81 3.76 0.00 0.00 -1.24 -4.58 105.19 102.94 2rkq n GLY 45 Ca 0.00 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 2rkq n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rkq s GLY 46 N -0.23 2.50 0.65 -0.02 0.00 -1.26 -2.82 107.32 106.14 2rkq s GLY 46 Ca 0.00 0.81 -0.10 0.00 0.00 0.00 0.00 44.72 45.43 2rkq s GLY 46 CO 0.00 1.18 1.02 0.00 0.00 0.00 0.00 173.10 175.30 2rkq s ALA 47 N -1.90 3.05 0.02 3.20 0.00 -1.26 -3.54 121.76 121.33 2rkq s ALA 47 Ca 0.73 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.32 2rkq s ALA 47 Cb -0.25 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 2rkq s ALA 47 CO 0.35 -0.95 -0.09 0.00 0.00 0.00 0.00 175.76 175.07 2rkq n ALA 49 N 2.21 1.54 -3.13 0.00 0.00 -1.26 -2.14 120.51 117.73 2rkq n ALA 49 Ca -0.17 -0.91 -0.09 0.00 0.00 0.00 0.00 53.44 52.27 2rkq n ALA 49 Cb 0.56 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 2rkq n ALA 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2rkq s ASP 50 N -0.69 -0.04 0.42 0.00 1.47 -1.26 -4.60 116.67 111.97 2rkq s ASP 50 Ca 0.03 -0.98 0.19 0.00 1.18 0.00 0.00 52.55 52.97 2rkq s ASP 50 Cb 0.03 0.58 0.94 0.00 -0.34 0.00 0.00 42.92 44.13 2rkq s ASP 50 CO 0.00 -1.14 1.88 0.44 0.68 0.00 0.00 175.17 177.03 2rkq h ASP 51 N 2.26 0.00 0.07 2.11 3.32 -1.98 -0.58 116.42 121.63 2rkq h ASP 51 Ca -0.27 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 2rkq h ASP 51 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2rkq h ASP 51 CO 0.36 0.29 -0.03 0.58 -1.72 0.00 0.00 179.24 178.72 2rkq h VAL 52 N 0.00 1.21 -0.24 -1.35 2.07 -1.99 -2.71 116.25 113.25 2rkq h VAL 52 Ca -0.00 -1.33 -0.15 0.00 0.82 0.00 0.00 66.70 66.03 2rkq h VAL 52 Cb 0.62 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 2rkq h VAL 52 CO 0.04 0.31 -0.48 0.71 0.02 0.00 0.00 177.57 178.17 2rkq h THR 53 N -0.74 1.30 -0.74 2.57 1.35 -1.93 -1.33 112.91 113.39 2rkq h THR 53 Ca -0.01 -1.69 -0.05 0.00 -0.55 0.00 0.00 66.41 64.11 2rkq h THR 53 Cb 0.59 1.64 -0.03 0.00 -1.73 0.00 0.00 68.15 68.62 2rkq h THR 53 CO 0.02 0.53 0.27 0.00 -0.25 0.00 0.00 175.52 176.09 2rkq h SER 55 N 1.09 1.00 -0.28 0.00 4.64 -1.30 -0.95 113.55 117.75 2rkq h SER 55 Ca 0.25 -0.28 -0.15 0.00 -0.47 0.00 0.00 61.79 61.14 2rkq h SER 55 Cb 0.25 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2rkq h SER 55 CO -0.01 1.05 -0.39 -0.61 -0.87 0.00 0.00 176.83 175.99 2rkq h GLN 56 N 0.93 0.83 -0.59 4.77 5.75 -0.76 -2.10 115.11 123.95 2rkq h GLN 56 Ca 0.17 -0.43 -0.02 0.00 -0.15 0.00 0.00 58.65 58.21 2rkq h GLN 56 Cb 0.54 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 2rkq h GLN 56 CO 0.03 1.07 0.28 0.45 -2.65 0.00 0.00 178.83 178.01 2rkq h HIS 57 N 0.68 0.81 -0.05 3.99 3.86 -0.32 0.60 115.15 124.72 2rkq h HIS 57 Ca 0.05 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2rkq h HIS 57 Cb 0.96 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 29.17 2rkq h HIS 57 CO 0.06 0.60 0.03 0.52 0.86 0.00 0.00 177.93 180.00 2rkq h MET 58 N 0.82 0.07 -0.65 2.45 2.86 -0.73 0.60 114.93 120.35 2rkq h MET 58 Ca 0.20 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.77 2rkq h MET 58 Cb 0.09 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 2rkq h MET 58 CO -0.03 0.06 0.13 0.00 1.06 0.00 0.00 176.91 178.13 2rkq h ARG 59 N 0.06 1.05 -0.63 1.72 3.08 -0.96 -0.85 114.38 117.85 2rkq h ARG 59 Ca 0.02 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 2rkq h ARG 59 Cb 0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2rkq h ARG 59 CO -0.00 0.95 0.03 -0.91 -1.07 0.00 0.00 179.97 178.97 2rkq h ASN 60 N 1.00 1.06 -0.16 7.04 2.35 -0.66 0.64 115.58 126.84 2rkq h ASN 60 Ca 0.20 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 2rkq h ASN 60 Cb 0.39 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2rkq h ASN 60 CO 0.01 1.09 0.01 0.25 -1.65 0.00 0.00 177.43 177.13 2rkq h LEU 61 N 1.00 0.28 -0.35 1.61 5.85 -0.70 0.49 115.31 123.49 2rkq h LEU 61 Ca 0.18 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.65 2rkq h LEU 61 Cb 0.52 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2rkq h LEU 61 CO 0.03 0.51 0.08 -0.61 -0.34 0.00 0.00 178.44 178.11 2rkq h GLN 62 N 0.04 0.20 -0.71 1.25 4.15 -0.96 0.02 115.11 119.10 2rkq h GLN 62 Ca 0.05 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 2rkq h GLN 62 Cb 0.36 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 2rkq h GLN 62 CO 0.01 0.13 0.25 -0.91 -1.93 0.00 0.00 178.83 176.38 2rkq h ASN 63 N 0.20 1.01 -0.07 -0.69 -0.26 -0.73 -0.14 115.58 114.90 2rkq h ASN 63 Ca 0.16 -0.19 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 2rkq h ASN 63 Cb 0.18 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.17 2rkq h ASN 63 CO -0.21 0.93 0.03 0.15 -1.06 0.00 0.00 177.43 177.28 2rkq h PHE 64 N 1.04 0.11 -0.56 1.19 3.04 -0.59 0.18 116.94 121.36 2rkq h PHE 64 Ca 0.23 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.09 2rkq h PHE 64 Cb 0.26 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 2rkq h PHE 64 CO 0.02 0.23 0.02 1.96 -2.02 0.00 0.00 178.31 178.52 2rkq h GLN 65 N -0.03 0.94 -0.04 1.11 4.20 -0.79 0.32 115.11 120.81 2rkq h GLN 65 Ca 0.02 -0.27 -0.18 0.00 0.06 0.00 0.00 58.65 58.29 2rkq h GLN 65 Cb 0.16 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.85 2rkq h GLN 65 CO -0.00 0.91 -0.68 0.52 -0.67 0.00 0.00 178.83 178.92 2rkq h MET 66 N 0.87 0.53 0.10 1.46 2.86 -0.99 0.20 114.93 119.96 2rkq h MET 66 Ca 0.17 -0.51 -0.16 0.00 -2.06 0.00 0.00 59.70 57.13 2rkq h MET 66 Cb 0.48 0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.29 2rkq h MET 66 CO 0.02 1.15 -0.73 1.03 1.06 0.00 0.00 176.91 179.43 2rkq h SER 67 N 0.10 0.34 0.04 1.22 0.87 -0.55 -3.03 113.55 112.54 2rkq h SER 67 Ca -0.07 -0.93 -0.28 0.00 -1.23 0.00 0.00 61.79 59.27 2rkq h SER 67 Cb 1.35 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.17 2rkq h SER 67 CO 0.14 1.34 -1.52 0.29 -0.53 0.00 0.00 176.83 176.55 2rkq n LYS 68 N -4.22 0.63 0.09 2.24 4.76 0.11 -4.22 118.16 117.55 2rkq n LYS 68 Ca -0.15 0.47 0.13 0.00 -2.87 0.00 0.00 58.31 55.89 2rkq n LYS 68 Cb 0.75 -1.73 0.33 0.00 -1.84 0.00 0.00 35.03 32.54 2rkq n LYS 68 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2rkq n GLN 69 N -4.12 0.26 -2.01 1.97 6.02 -1.02 -4.94 117.38 113.54 2rkq n GLN 69 Ca -0.32 0.16 -0.15 0.00 -0.01 0.00 0.00 57.00 56.68 2rkq n GLN 69 Cb 0.80 -1.75 -0.03 0.00 1.02 0.00 0.00 30.24 30.29 2rkq n GLN 69 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2rkq n LYS 70 N -2.18 -1.15 -1.66 -1.09 4.76 -0.13 -4.96 118.16 111.75 2rkq n LYS 70 Ca 0.05 0.83 -0.33 0.00 -2.87 0.00 0.00 58.31 55.98 2rkq n LYS 70 Cb 0.43 -5.10 0.06 0.00 -1.84 0.00 0.00 35.03 28.58 2rkq n LYS 70 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2rkq s PHE 71 N -2.69 2.45 0.25 2.13 2.99 -0.13 -4.94 117.98 118.05 2rkq s PHE 71 Ca 0.00 1.57 0.34 0.00 0.00 0.00 0.00 56.93 58.84 2rkq s PHE 71 Cb 0.00 -3.25 1.55 0.00 0.00 0.00 0.00 43.02 41.32 2rkq s PHE 71 CO 0.00 -1.95 2.06 0.77 -0.00 0.00 0.00 175.22 176.10 2rkq h SER 72 N -0.06 0.00 -5.32 1.36 0.02 -1.88 -3.38 113.55 104.29 2rkq h SER 72 Ca -0.47 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 60.65 2rkq h SER 72 Cb 1.26 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.73 2rkq h SER 72 CO 0.53 0.03 0.48 -0.62 -1.14 0.00 0.00 176.83 176.11 2rkq s ASP 73 N -5.68 -0.15 0.33 3.07 3.68 -1.26 -0.52 116.67 116.13 2rkq s ASP 73 Ca -0.01 -0.47 -0.26 0.00 2.13 0.00 0.00 52.55 53.94 2rkq s ASP 73 Cb 0.10 0.51 -0.14 0.00 -1.45 0.00 0.00 42.92 41.95 2rkq s ASP 73 CO 0.53 -0.96 0.84 0.00 0.13 0.00 0.00 175.17 175.71 2rkq n ILE 74 N -0.50 2.01 0.76 4.11 3.06 -1.26 -4.66 119.36 122.88 2rkq n ILE 74 Ca -0.06 -0.50 0.13 0.00 -2.50 0.00 0.00 62.75 59.83 2rkq n ILE 74 Cb 0.60 -0.78 0.45 0.00 0.54 0.00 0.00 39.64 40.45 2rkq n ILE 74 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2rkq n GLY 75 N 1.45 -1.60 3.71 4.50 0.00 -1.26 -4.48 105.19 107.51 2rkq n GLY 75 Ca 0.11 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 2rkq n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rkq s TYR 76 N -3.07 2.86 0.06 1.61 1.51 -1.26 -1.11 117.35 117.95 2rkq s TYR 76 Ca 0.11 -0.18 -0.03 0.00 -1.01 0.00 0.00 57.07 55.97 2rkq s TYR 76 Cb 0.15 -1.28 -0.28 0.00 -0.11 0.00 0.00 41.96 40.44 2rkq s TYR 76 CO 0.59 0.58 1.06 0.45 -1.11 0.00 0.00 175.55 177.12 2rkq h HIS 77 N 1.76 0.45 -3.48 2.71 3.86 -1.17 -0.02 115.15 119.26 2rkq h HIS 77 Ca -0.46 -0.33 -0.15 0.00 -1.16 0.00 0.00 60.37 58.27 2rkq h HIS 77 Cb 1.24 -0.02 -0.22 0.00 1.06 0.00 0.00 27.41 29.48 2rkq h HIS 77 CO 0.63 1.29 -0.50 0.71 0.86 0.00 0.00 177.93 180.92 2rkq s TYR 78 N -2.65 -0.00 0.07 2.45 1.51 -0.89 -0.24 117.35 117.61 2rkq s TYR 78 Ca -0.05 -0.02 0.06 0.00 -1.01 0.00 0.00 57.07 56.04 2rkq s TYR 78 Cb 0.07 -0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.86 2rkq s TYR 78 CO 0.87 -0.25 -0.15 -0.51 -1.11 0.00 0.00 175.55 174.40 2rkq s LEU 79 N -1.09 2.27 -0.18 -1.29 1.02 -0.24 -1.12 118.68 118.06 2rkq s LEU 79 Ca -0.12 -0.61 0.01 0.00 0.02 0.00 0.00 54.13 53.43 2rkq s LEU 79 Cb -0.06 -0.58 0.03 0.00 0.02 0.00 0.00 46.19 45.61 2rkq s LEU 79 CO 0.01 -0.05 -0.12 -0.63 0.02 0.00 0.00 176.35 175.59 2rkq s ILE 80 N -1.22 1.60 0.63 -0.59 1.01 0.15 0.13 121.20 122.90 2rkq s ILE 80 Ca -0.01 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 2rkq s ILE 80 Cb -0.10 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 2rkq s ILE 80 CO 0.02 0.28 1.03 -0.83 0.00 0.00 0.00 174.94 175.44 2rkq s GLY 81 N 1.44 1.64 0.15 6.18 0.00 -0.15 -0.62 107.32 115.96 2rkq s GLY 81 Ca 0.01 -0.20 0.17 0.00 0.00 0.00 0.00 44.72 44.70 2rkq s GLY 81 CO -0.09 0.09 1.51 0.61 0.00 0.00 0.00 173.10 175.22 2rkq n GLY 82 N -2.78 -1.00 0.00 0.20 0.00 -0.91 -0.86 105.19 99.85 2rkq n GLY 82 Ca 0.06 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.27 2rkq n GLY 82 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2rkq n ASN 83 N -1.90 0.00 0.00 1.61 6.94 -1.23 -4.75 115.26 115.94 2rkq n ASN 83 Ca 0.02 -0.86 0.00 0.00 -0.02 0.00 0.00 54.58 53.72 2rkq n ASN 83 Cb 0.14 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 2rkq n ASN 83 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2rkq n GLY 84 N 0.80 0.76 3.86 4.83 0.00 -0.04 -4.92 105.19 110.48 2rkq n GLY 84 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2rkq n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rkq s LYS 85 N -0.20 3.85 -0.23 1.61 1.02 -1.25 -4.70 119.74 119.85 2rkq s LYS 85 Ca 0.00 0.32 -0.07 0.00 0.02 0.00 0.00 55.97 56.24 2rkq s LYS 85 Cb 0.00 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 2rkq s LYS 85 CO 0.00 0.42 0.07 0.08 -0.92 0.00 0.00 175.35 175.00 2rkq s VAL 86 N -1.61 4.45 -0.13 3.17 1.01 -1.26 -0.97 120.40 125.05 2rkq s VAL 86 Ca 0.41 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 2rkq s VAL 86 Cb -0.13 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2rkq s VAL 86 CO 0.20 0.37 0.03 -0.31 0.00 0.00 0.00 175.10 175.40 2rkq s TYR 87 N 1.24 3.23 0.06 5.22 1.51 0.12 0.00 117.35 128.72 2rkq s TYR 87 Ca 0.05 0.12 -0.30 0.00 -1.01 0.00 0.00 57.07 55.92 2rkq s TYR 87 Cb -0.14 -1.93 -0.05 0.00 -0.11 0.00 0.00 41.96 39.72 2rkq s TYR 87 CO 0.03 0.32 1.12 -2.00 -1.11 0.00 0.00 175.55 173.91 2rkq s GLU 88 N -0.28 4.49 0.00 -0.62 2.12 0.13 -1.07 118.70 123.46 2rkq s GLU 88 Ca 0.07 1.66 0.00 0.00 0.36 0.00 0.00 54.97 57.06 2rkq s GLU 88 Cb -0.12 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.90 2rkq s GLU 88 CO 0.02 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 2rkq n GLY 89 N 2.99 1.25 3.72 -1.50 0.00 0.67 -4.35 105.19 107.98 2rkq n GLY 89 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2rkq n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rkq s ARG 90 N 3.96 2.16 0.46 1.61 0.52 -0.02 -4.91 118.95 122.74 2rkq s ARG 90 Ca 0.00 1.75 -0.24 0.00 -0.52 0.00 0.00 55.73 56.72 2rkq s ARG 90 Cb 0.00 -1.84 -0.07 0.00 0.52 0.00 0.00 34.95 33.56 2rkq s ARG 90 CO 0.00 -1.81 1.32 0.45 0.02 0.00 0.00 175.30 175.27 2rkq s SER 91 N -2.05 5.90 0.66 0.23 0.15 -1.26 -4.43 113.70 112.90 2rkq s SER 91 Ca 0.74 2.67 0.37 0.00 0.70 0.00 0.00 55.95 60.43 2rkq s SER 91 Cb -0.29 -2.63 2.02 0.00 -1.71 0.00 0.00 66.02 63.40 2rkq s SER 91 CO 0.45 -1.13 2.16 -0.65 1.20 0.00 0.00 173.24 175.27 2rkq h PRO 92 N 2.14 0.00 -0.36 5.44 0.11 -1.94 0.92 132.00 138.32 2rkq h PRO 92 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2rkq h PRO 92 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2rkq h PRO 92 CO 0.60 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 2rkq n SER 93 N -3.12 1.91 -4.38 -2.05 3.41 -1.26 -4.73 113.62 103.40 2rkq n SER 93 Ca -0.02 -2.00 -0.33 0.00 -0.26 0.00 0.00 58.87 56.26 2rkq n SER 93 Cb 0.23 -0.24 -0.14 0.00 -0.26 0.00 0.00 64.21 63.80 2rkq n SER 93 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2rkq s GLN 94 N -1.52 3.42 0.33 4.33 -0.21 0.32 -0.81 119.66 125.50 2rkq s GLN 94 Ca 0.24 -0.66 -0.28 0.00 0.02 0.00 0.00 55.36 54.68 2rkq s GLN 94 Cb 0.12 -2.70 -0.13 0.00 1.00 0.00 0.00 33.01 31.30 2rkq s GLN 94 CO 0.16 0.17 1.26 -2.13 -2.12 0.00 0.00 175.29 172.63 2rkq n ARG 95 N 3.66 2.00 -1.94 2.91 0.63 0.44 -4.72 116.66 119.64 2rkq n ARG 95 Ca -0.18 0.70 -0.30 0.00 -0.92 0.00 0.00 57.85 57.16 2rkq n ARG 95 Cb 0.52 -2.26 0.18 0.00 0.45 0.00 0.00 32.46 31.36 2rkq n ARG 95 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2rkq s GLY 96 N -0.30 1.78 -0.47 5.14 0.00 -1.26 -4.80 107.32 107.41 2rkq s GLY 96 Ca 0.57 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 44.12 2rkq s GLY 96 CO 0.61 -0.44 0.36 0.00 0.00 0.00 0.00 173.10 173.62 2rkq s ALA 97 N -3.87 1.93 0.00 3.20 0.00 -0.27 -4.85 121.76 117.89 2rkq s ALA 97 Ca 0.74 -2.71 0.00 0.00 0.00 0.00 0.00 51.96 49.99 2rkq s ALA 97 Cb -0.04 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2rkq s ALA 97 CO 0.53 -2.02 0.00 1.97 0.00 0.00 0.00 175.76 176.24 2rkq n PHE 98 N 2.80 0.00 -1.79 0.00 1.16 -1.26 -4.54 117.46 113.83 2rkq n PHE 98 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.83 2rkq n PHE 98 Cb 0.43 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.30 2rkq n PHE 98 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2rkq n ALA 99 N 0.00 1.72 -0.62 1.98 0.00 -1.26 -4.87 120.51 117.46 2rkq n ALA 99 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2rkq n ALA 99 Cb 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.18 2rkq n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rkq n GLY 100 N 0.00 3.44 0.30 0.00 0.00 -1.26 -0.79 105.19 106.87 2rkq n GLY 100 Ca 0.00 0.14 0.19 0.00 0.00 0.00 0.00 46.02 46.35 2rkq n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rkq h PRO 101 N 0.00 0.00 -0.65 1.61 0.13 -2.00 -0.91 132.00 130.18 2rkq h PRO 101 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2rkq h PRO 101 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2rkq h PRO 101 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 2rkq n ASN 102 N -2.87 3.93 0.21 1.44 3.02 0.03 -4.22 115.26 116.80 2rkq n ASN 102 Ca -0.02 -2.20 0.05 0.00 -0.03 0.00 0.00 54.58 52.37 2rkq n ASN 102 Cb 0.13 -0.50 0.46 0.00 -0.61 0.00 0.00 39.78 39.27 2rkq n ASN 102 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2rkq h ASN 103 N 3.77 0.00 -3.45 6.41 2.35 -1.24 -3.45 115.58 119.97 2rkq h ASN 103 Ca 0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 2rkq h ASN 103 Cb 1.11 0.00 0.11 0.00 0.05 0.00 0.00 38.32 39.58 2rkq h ASN 103 CO 0.11 0.24 0.64 0.47 -1.65 0.00 0.00 177.43 177.24 2rkq n ASP 104 N -4.23 3.21 -1.68 5.81 9.92 -1.26 -3.02 116.55 125.30 2rkq n ASP 104 Ca -0.02 1.20 -0.17 0.00 -0.53 0.00 0.00 54.79 55.27 2rkq n ASP 104 Cb 0.30 -1.53 -0.03 0.00 -0.64 0.00 0.00 41.12 39.21 2rkq n ASP 104 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2rkq n GLY 105 N 0.92 0.48 2.98 0.44 0.00 -1.26 -4.97 105.19 103.78 2rkq n GLY 105 Ca 0.05 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 2rkq n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rkq s SER 106 N -2.47 1.87 -0.33 1.61 0.01 -1.17 -2.04 113.70 111.19 2rkq s SER 106 Ca 0.00 -0.29 -0.25 0.00 1.31 0.00 0.00 55.95 56.72 2rkq s SER 106 Cb 0.00 -0.82 0.01 0.00 0.21 0.00 0.00 66.02 65.42 2rkq s SER 106 CO 0.00 -0.02 0.85 -0.22 0.41 0.00 0.00 173.24 174.26 2rkq s LEU 107 N 1.03 4.06 -0.25 2.44 2.96 0.37 -4.64 118.68 124.65 2rkq s LEU 107 Ca -0.08 0.64 -0.13 0.00 -0.22 0.00 0.00 54.13 54.34 2rkq s LEU 107 Cb -0.15 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.34 2rkq s LEU 107 CO -0.01 -0.71 0.29 -0.83 -1.32 0.00 0.00 176.35 173.77 2rkq s GLY 108 N 1.71 1.97 -0.17 7.98 0.00 -1.26 -0.23 107.32 117.32 2rkq s GLY 108 Ca 0.35 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.26 2rkq s GLY 108 CO 0.15 0.73 -0.17 -0.42 0.00 0.00 0.00 173.10 173.40 2rkq s ILE 109 N 1.57 1.80 -0.13 0.90 1.01 -0.22 -0.78 121.20 125.34 2rkq s ILE 109 Ca 0.13 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 2rkq s ILE 109 Cb -0.15 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 2rkq s ILE 109 CO 0.08 0.48 -0.13 0.00 0.00 0.00 0.00 174.94 175.37 2rkq s ALA 110 N 1.39 2.61 0.04 9.38 0.00 -0.27 -0.65 121.76 134.25 2rkq s ALA 110 Ca 0.05 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 2rkq s ALA 110 Cb -0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 2rkq s ALA 110 CO -0.12 0.21 0.93 -0.06 0.00 0.00 0.00 175.76 176.72 2rkq s PHE 111 N 0.42 3.71 -0.11 0.00 0.40 0.22 -0.68 117.98 121.94 2rkq s PHE 111 Ca -0.10 1.68 -0.30 0.00 -0.60 0.00 0.00 56.93 57.61 2rkq s PHE 111 Cb -0.16 -3.05 -0.02 0.00 0.51 0.00 0.00 43.02 40.31 2rkq s PHE 111 CO 0.05 0.10 1.17 0.42 0.70 0.00 0.00 175.22 177.66 2rkq s ILE 112 N 0.55 4.40 -1.97 0.64 1.01 0.21 -1.26 121.20 124.78 2rkq s ILE 112 Ca 0.48 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.83 2rkq s ILE 112 Cb -0.21 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.16 2rkq s ILE 112 CO 0.27 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2rkq n GLY 113 N 3.38 0.58 2.99 6.18 0.00 -1.23 -4.47 105.19 112.63 2rkq n GLY 113 Ca 0.12 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 2rkq n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2rkq s ASN 114 N -3.43 3.18 -0.29 1.61 3.84 -1.13 -0.66 114.94 118.06 2rkq s ASN 114 Ca 0.00 -0.77 0.08 0.00 0.21 0.00 0.00 52.86 52.37 2rkq s ASN 114 Cb 0.00 -1.19 0.46 0.00 -0.55 0.00 0.00 41.25 39.97 2rkq s ASN 114 CO 0.00 -0.13 1.32 0.49 -2.79 0.00 0.00 177.10 175.99 2rkq n PHE 115 N 4.72 1.59 -0.17 0.43 3.01 -1.26 -4.58 117.46 121.21 2rkq n PHE 115 Ca -0.15 -1.93 -0.10 0.00 1.01 0.00 0.00 57.45 56.28 2rkq n PHE 115 Cb 0.47 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 2rkq n PHE 115 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2rkq h GLU 116 N 1.56 0.82 0.00 -1.08 4.39 -1.83 -1.66 114.58 116.77 2rkq h GLU 116 Ca 0.24 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2rkq h GLU 116 Cb 1.35 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2rkq h GLU 116 CO 0.51 0.84 -1.03 0.39 -1.16 0.00 0.00 179.01 178.56 2rkq n GLU 117 N -4.40 1.09 -4.10 2.33 1.02 -1.26 -2.63 120.64 112.68 2rkq n GLU 117 Ca 0.01 -0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 56.98 2rkq n GLU 117 Cb 0.27 -1.04 -0.11 0.00 -0.02 0.00 0.00 31.44 30.54 2rkq n GLU 117 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2rkq s ARG 118 N -2.16 0.64 0.61 3.49 1.70 -1.26 -4.89 118.95 117.08 2rkq s ARG 118 Ca -0.01 -0.93 -0.15 0.00 -0.47 0.00 0.00 55.73 54.17 2rkq s ARG 118 Cb 0.03 -0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.05 2rkq s ARG 118 CO 0.19 0.05 1.07 0.00 -1.08 0.00 0.00 175.30 175.52 2rkq s ALA 119 N -1.94 2.69 0.99 7.88 0.00 -1.26 -4.35 121.76 125.76 2rkq s ALA 119 Ca -0.03 0.38 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 2rkq s ALA 119 Cb -0.06 -3.24 0.17 0.00 0.00 0.00 0.00 23.12 19.99 2rkq s ALA 119 CO -0.01 -0.93 0.99 -2.30 0.00 0.00 0.00 175.76 173.52 2rkq n PRO 120 N -2.21 -0.94 -1.65 0.00 -0.02 -1.26 -4.97 135.00 123.94 2rkq n PRO 120 Ca 0.09 -0.22 -0.37 0.00 -2.02 0.00 0.00 63.50 60.98 2rkq n PRO 120 Cb 0.53 -2.25 0.08 0.00 -0.02 0.00 0.00 33.50 31.84 2rkq n PRO 120 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2rkq n ASN 121 N -3.99 1.95 -0.30 2.55 3.02 -1.26 -4.79 115.26 112.44 2rkq n ASN 121 Ca 0.09 0.80 0.06 0.00 -0.03 0.00 0.00 54.58 55.50 2rkq n ASN 121 Cb 0.53 -1.55 0.21 0.00 -0.61 0.00 0.00 39.78 38.36 2rkq n ASN 121 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2rkq h LYS 122 N 0.35 0.69 -0.64 3.52 3.64 -1.95 -0.92 116.57 121.26 2rkq h LYS 122 Ca -0.50 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2rkq h LYS 122 Cb 1.34 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 2rkq h LYS 122 CO 0.52 0.46 0.40 0.93 -2.27 0.00 0.00 179.45 179.49 2rkq h GLU 123 N 0.71 0.86 -0.25 1.90 3.07 -1.91 0.22 114.58 119.18 2rkq h GLU 123 Ca 0.45 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 59.13 2rkq h GLU 123 Cb 0.55 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2rkq h GLU 123 CO -0.31 0.59 -0.27 0.00 -1.40 0.00 0.00 179.01 177.62 2rkq h ALA 124 N 1.56 0.37 -0.53 3.43 0.00 -1.45 -1.33 119.26 121.32 2rkq h ALA 124 Ca 0.23 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2rkq h ALA 124 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2rkq h ALA 124 CO -0.05 0.37 0.21 -0.07 0.00 0.00 0.00 179.25 179.71 2rkq h LEU 125 N 0.34 0.73 -0.48 0.00 3.38 -0.70 -0.95 115.31 117.63 2rkq h LEU 125 Ca 0.04 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2rkq h LEU 125 Cb 0.83 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2rkq h LEU 125 CO 0.07 0.71 0.27 0.44 0.09 0.00 0.00 178.44 180.01 2rkq h ASP 126 N 0.72 0.43 -0.76 -0.43 3.32 -0.56 -2.02 116.42 117.11 2rkq h ASP 126 Ca 0.18 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.27 2rkq h ASP 126 Cb 0.21 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 2rkq h ASP 126 CO -0.01 0.30 0.47 0.00 -1.72 0.00 0.00 179.24 178.28 2rkq h ALA 127 N 1.23 1.00 -0.43 3.45 0.00 -0.87 -0.43 119.26 123.20 2rkq h ALA 127 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2rkq h ALA 127 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2rkq h ALA 127 CO -0.10 0.26 0.21 0.00 0.00 0.00 0.00 179.25 179.62 2rkq h ALA 128 N 1.33 0.56 -0.65 0.00 0.00 -0.82 0.23 119.26 119.91 2rkq h ALA 128 Ca 0.31 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2rkq h ALA 128 Cb 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2rkq h ALA 128 CO -0.12 0.11 0.08 0.87 0.00 0.00 0.00 179.25 180.19 2rkq h LYS 129 N 0.56 1.09 -0.39 0.00 1.57 -0.91 -1.02 116.57 117.47 2rkq h LYS 129 Ca 0.15 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 2rkq h LYS 129 Cb 0.11 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2rkq h LYS 129 CO -0.02 1.01 -0.20 0.93 -0.57 0.00 0.00 179.45 180.61 2rkq h GLU 130 N 1.01 0.75 -0.58 3.15 5.08 -0.88 -2.29 114.58 120.82 2rkq h GLU 130 Ca 0.19 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2rkq h GLU 130 Cb 0.47 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2rkq h GLU 130 CO 0.02 0.89 0.19 1.25 -1.00 0.00 0.00 179.01 180.36 2rkq h LEU 131 N 0.66 0.84 -0.46 1.33 5.85 -0.13 -0.10 115.31 123.29 2rkq h LEU 131 Ca 0.10 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2rkq h LEU 131 Cb 0.69 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2rkq h LEU 131 CO 0.05 0.81 0.27 -0.07 -0.34 0.00 0.00 178.44 179.17 2rkq h LEU 132 N 0.81 0.55 -0.54 2.25 3.38 -1.03 0.26 115.31 120.99 2rkq h LEU 132 Ca 0.19 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2rkq h LEU 132 Cb 0.27 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2rkq h LEU 132 CO -0.01 0.45 0.32 -0.08 0.09 0.00 0.00 178.44 179.22 2rkq h GLU 133 N 0.61 0.62 -0.57 1.13 4.81 -1.20 -1.54 114.58 118.44 2rkq h GLU 133 Ca 0.16 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 2rkq h GLU 133 Cb 0.00 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2rkq h GLU 133 CO -0.03 0.41 0.12 0.37 -0.73 0.00 0.00 179.01 179.15 2rkq h GLN 134 N 0.64 0.92 -0.87 1.92 4.15 -0.55 -1.49 115.11 119.82 2rkq h GLN 134 Ca 0.22 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 2rkq h GLN 134 Cb 0.03 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 2rkq h GLN 134 CO -0.10 0.87 0.52 0.00 -1.93 0.00 0.00 178.83 178.18 2rkq h ALA 135 N 1.01 1.27 -0.13 3.38 0.00 -0.14 0.19 119.26 124.85 2rkq h ALA 135 Ca 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2rkq h ALA 135 Cb 0.38 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2rkq h ALA 135 CO 0.01 0.62 0.05 0.28 0.00 0.00 0.00 179.25 180.20 2rkq h VAL 136 N 1.20 1.16 0.00 0.00 2.07 -1.03 0.15 116.25 119.80 2rkq h VAL 136 Ca 0.31 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2rkq h VAL 136 Cb -0.04 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2rkq h VAL 136 CO -0.06 0.15 -0.10 0.11 0.02 0.00 0.00 177.57 177.69 2rkq h LYS 137 N 0.04 0.00 -0.34 1.57 1.57 -0.72 -1.80 116.57 116.89 2rkq h LYS 137 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2rkq h LYS 137 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2rkq h LYS 137 CO -0.00 0.10 0.00 1.04 -0.57 0.00 0.00 179.45 180.02 2rkq n GLN 138 N -4.40 2.00 -2.06 3.15 6.02 0.00 -4.93 117.38 117.17 2rkq n GLN 138 Ca -0.03 -1.53 -0.17 0.00 -0.01 0.00 0.00 57.00 55.26 2rkq n GLN 138 Cb 0.18 -1.39 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 2rkq n GLN 138 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2rkq n ALA 139 N 0.74 -0.42 0.03 -1.58 0.00 -0.68 -4.87 120.51 113.74 2rkq n ALA 139 Ca 0.16 0.18 -0.04 0.00 0.00 0.00 0.00 53.44 53.74 2rkq n ALA 139 Cb 0.39 -1.84 -0.09 0.00 0.00 0.00 0.00 19.45 17.91 2rkq n ALA 139 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2rkq h GLN 140 N 0.00 0.00 -4.49 0.00 4.20 -0.94 -3.18 115.11 110.69 2rkq h GLN 140 Ca -0.38 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 57.92 2rkq h GLN 140 Cb 1.24 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 28.71 2rkq h GLN 140 CO 0.48 0.49 -0.78 -1.17 -0.67 0.00 0.00 178.83 177.19 2rkq s LEU 141 N -6.12 1.79 0.68 1.46 2.96 -0.86 -0.51 118.68 118.08 2rkq s LEU 141 Ca -0.02 -0.16 -0.16 0.00 -0.22 0.00 0.00 54.13 53.57 2rkq s LEU 141 Cb 0.08 -0.48 0.01 0.00 0.50 0.00 0.00 46.19 46.30 2rkq s LEU 141 CO 0.81 0.06 1.16 0.68 -1.32 0.00 0.00 176.35 177.74 2rkq s VAL 142 N 0.18 2.77 0.12 1.68 -7.23 0.09 -4.03 120.40 114.00 2rkq s VAL 142 Ca -0.03 0.39 -0.16 0.00 -1.81 0.00 0.00 61.98 60.37 2rkq s VAL 142 Cb -0.08 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 2rkq s VAL 142 CO 0.00 -0.20 1.65 -0.08 -0.31 0.00 0.00 175.10 176.17 2rkq h GLU 143 N 0.05 0.57 -2.32 4.82 4.81 -1.91 -3.07 114.58 117.54 2rkq h GLU 143 Ca -0.48 -0.12 -0.52 0.00 -0.13 0.00 0.00 59.36 58.12 2rkq h GLU 143 Cb 1.27 -0.09 -0.11 0.00 0.63 0.00 0.00 28.75 30.46 2rkq h GLU 143 CO 0.52 0.57 1.28 0.41 -0.73 0.00 0.00 179.01 181.06 2rkq n GLY 144 N -0.68 4.24 3.83 1.92 0.00 -1.26 -4.97 105.19 108.26 2rkq n GLY 144 Ca -0.01 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 2rkq n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2rkq s TYR 145 N -0.31 3.20 -0.22 1.61 -0.85 -1.16 -5.00 117.35 114.62 2rkq s TYR 145 Ca 0.61 1.42 -0.14 0.00 -0.52 0.00 0.00 57.07 58.45 2rkq s TYR 145 Cb 0.29 -2.87 -0.04 0.00 0.38 0.00 0.00 41.96 39.71 2rkq s TYR 145 CO -0.11 -1.03 0.29 0.15 -1.52 0.00 0.00 175.55 173.33 2rkq s LYS 146 N -4.76 4.12 -0.20 -3.49 -0.14 -0.51 -4.80 119.74 109.97 2rkq s LYS 146 Ca 0.59 -0.01 -0.13 0.00 -1.36 0.00 0.00 55.97 55.07 2rkq s LYS 146 Cb -0.14 -3.54 -0.05 0.00 -1.68 0.00 0.00 37.83 32.43 2rkq s LYS 146 CO 0.49 -0.00 0.24 -1.17 -0.76 0.00 0.00 175.35 174.15 2rkq s LEU 147 N 1.22 4.19 0.05 3.17 2.96 -0.09 -0.83 118.68 129.35 2rkq s LEU 147 Ca 0.14 0.35 0.04 0.00 -0.22 0.00 0.00 54.13 54.44 2rkq s LEU 147 Cb -0.14 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 2rkq s LEU 147 CO 0.06 0.08 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.29 2rkq s LEU 148 N 0.73 2.22 0.52 -0.68 1.43 0.25 -1.54 118.68 121.61 2rkq s LEU 148 Ca 0.13 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.56 2rkq s LEU 148 Cb -0.13 -0.43 -0.08 0.00 0.03 0.00 0.00 46.19 45.58 2rkq s LEU 148 CO 0.03 -0.07 0.99 -0.83 0.23 0.00 0.00 176.35 176.71 2rkq s GLY 149 N -1.39 2.04 0.29 -3.19 0.00 -1.26 -0.59 107.32 103.21 2rkq s GLY 149 Ca -0.03 0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.89 2rkq s GLY 149 CO 0.01 0.44 1.78 0.84 0.00 0.00 0.00 173.10 176.17 2rkq h HIS 150 N 0.83 0.98 0.00 1.90 2.76 -0.80 0.57 115.15 121.39 2rkq h HIS 150 Ca -0.47 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 2rkq h HIS 150 Cb 1.18 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.86 2rkq h HIS 150 CO 0.64 0.24 0.00 0.07 -1.30 0.00 0.00 177.93 177.58 2rkq h ARG 151 N 0.74 0.00 0.00 5.26 0.11 -0.94 -0.50 114.38 119.06 2rkq h ARG 151 Ca 0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.61 2rkq h ARG 151 Cb 0.77 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.85 2rkq h ARG 151 CO -0.36 0.00 -0.17 1.04 0.10 0.00 0.00 179.97 180.57 2rkq n GLN 152 N -2.80 0.16 0.00 0.08 6.02 0.19 -4.06 117.38 116.96 2rkq n GLN 152 Ca -0.02 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2rkq n GLN 152 Cb 0.11 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.72 2rkq n GLN 152 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2rkq n VAL 153 N -1.91 0.00 -3.77 5.09 0.24 -0.34 -0.64 118.33 117.00 2rkq n VAL 153 Ca 0.06 -0.41 -0.13 0.00 -2.04 0.00 0.00 64.34 61.82 2rkq n VAL 153 Cb 0.39 1.07 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 2rkq n VAL 153 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2rkq s SER 154 N -0.48 -0.16 -0.95 -1.34 0.15 -0.38 -4.67 113.70 105.88 2rkq s SER 154 Ca 0.00 0.00 -0.24 0.00 0.70 0.00 0.00 55.95 56.41 2rkq s SER 154 Cb 0.00 0.31 0.05 0.00 -1.71 0.00 0.00 66.02 64.67 2rkq s SER 154 CO 0.00 -0.48 1.41 0.00 1.20 0.00 0.00 173.24 175.36 2rkq s ALA 155 N -1.62 2.73 0.08 5.45 0.00 -1.26 -4.25 121.76 122.89 2rkq s ALA 155 Ca -0.12 -2.06 -0.26 0.00 0.00 0.00 0.00 51.96 49.53 2rkq s ALA 155 Cb -0.04 -4.46 0.08 0.00 0.00 0.00 0.00 23.12 18.69 2rkq s ALA 155 CO 0.02 -3.53 0.69 -0.08 0.00 0.00 0.00 175.76 172.85 2rkq s THR 156 N 5.13 0.00 -0.52 0.00 -1.32 -1.26 -5.02 115.64 112.65 2rkq s THR 156 Ca 0.43 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.15 2rkq s THR 156 Cb -0.02 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.28 2rkq s THR 156 CO -0.04 0.00 1.63 0.11 -2.21 0.00 0.00 174.62 174.11 2rkq h LYS 157 N 2.20 0.00 -6.55 7.08 1.79 -1.96 -3.39 116.57 115.74 2rkq h LYS 157 Ca -0.30 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.58 2rkq h LYS 157 Cb 1.26 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 32.02 2rkq h LYS 157 CO 0.37 0.00 0.27 0.45 -1.08 0.00 0.00 179.45 179.46 2rkq n SER 158 N -2.81 1.80 -1.26 0.86 2.88 -1.26 -0.68 113.62 113.15 2rkq n SER 158 Ca 0.04 1.18 0.02 0.00 -1.33 0.00 0.00 58.87 58.79 2rkq n SER 158 Cb 0.50 -1.35 0.20 0.00 -0.75 0.00 0.00 64.21 62.81 2rkq n SER 158 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2rkq n PRO 159 N 0.82 2.93 0.00 -1.46 -0.04 -1.26 -0.46 135.00 135.53 2rkq n PRO 159 Ca 0.09 -1.63 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 2rkq n PRO 159 Cb 0.33 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 2rkq n PRO 159 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rkq n GLY 160 N 0.27 0.34 0.26 0.55 0.00 0.15 -4.20 105.19 102.56 2rkq n GLY 160 Ca 0.16 -1.52 0.02 0.00 0.00 0.00 0.00 46.02 44.68 2rkq n GLY 160 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2rkq h GLU 161 N 0.00 0.52 -0.36 1.61 4.57 -1.57 0.19 114.58 119.53 2rkq h GLU 161 Ca 0.00 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.03 2rkq h GLU 161 Cb 0.00 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 2rkq h GLU 161 CO 0.00 0.34 -0.23 0.00 -1.18 0.00 0.00 179.01 177.94 2rkq h ALA 162 N 1.45 0.52 -0.20 2.92 0.00 -1.06 -0.82 119.26 122.07 2rkq h ALA 162 Ca 0.35 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2rkq h ALA 162 Cb 0.42 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2rkq h ALA 162 CO -0.30 0.49 -0.69 1.25 0.00 0.00 0.00 179.25 180.00 2rkq h LEU 163 N 0.59 0.93 -0.82 0.00 5.85 -1.22 -2.96 115.31 117.67 2rkq h LEU 163 Ca 0.07 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.27 2rkq h LEU 163 Cb 0.79 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 2rkq h LEU 163 CO 0.06 1.37 0.52 0.22 -0.34 0.00 0.00 178.44 180.27 2rkq h TYR 164 N 0.58 0.96 -0.56 1.25 5.03 -0.51 -1.04 116.97 122.67 2rkq h TYR 164 Ca -0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2rkq h TYR 164 Cb 1.31 -0.31 -0.03 0.00 1.55 0.00 0.00 36.73 39.25 2rkq h TYR 164 CO 0.08 0.51 0.35 0.00 -1.32 0.00 0.00 178.16 177.78 2rkq h ALA 165 N 1.37 1.57 -0.03 1.82 0.00 -1.08 -1.44 119.26 121.47 2rkq h ALA 165 Ca 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2rkq h ALA 165 Cb 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2rkq h ALA 165 CO -0.15 0.39 -0.05 -0.07 0.00 0.00 0.00 179.25 179.37 2rkq h LEU 166 N 0.76 0.10 -1.51 0.00 3.38 -1.19 -3.26 115.31 113.58 2rkq h LEU 166 Ca 0.20 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 2rkq h LEU 166 Cb -0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2rkq h LEU 166 CO -0.04 0.62 -0.25 0.16 0.09 0.00 0.00 178.44 179.02 2rkq h ILE 167 N -0.42 1.08 0.00 1.22 -0.00 -0.81 -0.13 117.51 118.45 2rkq h ILE 167 Ca 0.00 -0.89 -0.00 0.00 -0.00 0.00 0.00 64.86 63.97 2rkq h ILE 167 Cb 0.60 1.49 -0.00 0.00 -0.00 0.00 0.00 36.82 38.91 2rkq h ILE 167 CO 0.01 0.25 -0.00 1.56 -0.00 0.00 0.00 178.15 179.97 2rkq h GLN 168 N 0.00 0.00 0.00 0.16 4.20 -1.32 -0.91 115.11 117.24 2rkq h GLN 168 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2rkq h GLN 168 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2rkq h GLN 168 CO 0.03 0.00 -0.53 1.04 -0.67 0.00 0.00 178.83 178.71 2rkq n GLN 169 N -3.16 0.04 -1.98 1.46 6.02 -0.06 -4.80 117.38 114.90 2rkq n GLN 169 Ca -0.03 0.01 -0.32 0.00 -0.01 0.00 0.00 57.00 56.65 2rkq n GLN 169 Cb 0.08 -1.52 0.01 0.00 1.02 0.00 0.00 30.24 29.83 2rkq n GLN 169 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2rkq s TRP 170 N -3.02 3.17 0.31 1.08 0.52 -0.35 -4.98 118.94 115.67 2rkq s TRP 170 Ca 0.10 1.46 -0.29 0.00 0.02 0.00 0.00 56.10 57.40 2rkq s TRP 170 Cb 0.17 -2.90 -0.13 0.00 -1.15 0.00 0.00 33.47 29.46 2rkq s TRP 170 CO 0.70 -0.96 1.28 -2.30 0.02 0.00 0.00 176.95 175.70 2rkq n PRO 171 N -2.29 2.02 -0.95 4.98 -0.02 -1.26 -2.40 135.00 135.08 2rkq n PRO 171 Ca 0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2rkq n PRO 171 Cb 0.53 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2rkq n PRO 171 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2rkq n ASN 172 N 1.10 -2.17 -4.72 2.55 3.02 -1.26 -4.78 115.26 109.00 2rkq n ASN 172 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 2rkq n ASN 172 Cb 0.35 -0.98 -0.02 0.00 -0.61 0.00 0.00 39.78 38.51 2rkq n ASN 172 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 2rkq n TRP 173 N -2.43 2.72 -4.92 3.10 -0.00 -1.01 -0.91 117.44 113.99 2rkq n TRP 173 Ca 0.00 0.19 -0.33 0.00 -0.00 0.00 0.00 57.50 57.36 2rkq n TRP 173 Cb 0.07 -2.61 -0.14 0.00 -0.00 0.00 0.00 31.31 28.63 2rkq n TRP 173 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2rkq s SER 174 N 0.77 3.93 0.00 5.87 0.15 -0.59 -4.84 113.70 118.99 2rkq s SER 174 Ca 0.70 -0.24 0.30 0.00 0.70 0.00 0.00 55.95 57.41 2rkq s SER 174 Cb -0.53 -0.93 1.51 0.00 -1.71 0.00 0.00 66.02 64.36 2rkq s SER 174 CO 0.42 0.31 2.04 -1.84 1.20 0.00 0.00 173.24 175.37 2rkq n GLU 175 N 2.52 0.45 -1.72 5.44 0.28 -1.26 -4.81 120.64 121.54 2rkq n GLU 175 Ca -0.17 -0.02 -0.42 0.00 -0.16 0.00 0.00 57.16 56.39 2rkq n GLU 175 Cb 0.52 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.89 2rkq n GLU 175 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2rkq n GLU 176 N -1.26 2.28 -4.28 3.44 0.28 -1.26 -4.99 120.64 114.84 2rkq n GLU 176 Ca 0.14 0.80 -0.34 0.00 -0.16 0.00 0.00 57.16 57.60 2rkq n GLU 176 Cb 0.24 -2.42 -0.15 0.00 1.43 0.00 0.00 31.44 30.54 2rkq n GLU 176 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2rkq s MET 177 N -1.91 3.28 0.00 3.44 -1.94 -1.26 -4.88 119.30 116.03 2rkq s MET 177 Ca 0.55 -0.70 0.30 0.00 -1.71 0.00 0.00 55.69 54.13 2rkq s MET 177 Cb -0.54 -2.76 1.54 0.00 2.01 0.00 0.00 34.83 35.07 2rkq s MET 177 CO 0.62 -0.05 2.02 1.28 -0.01 0.00 0.00 175.02 178.88