#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn n THR 6 N 0.00 0.00 0.21 0.52 -2.24 -1.26 -4.66 114.28 106.84 2wrn n THR 6 Ca 0.00 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 2wrn n THR 6 Cb 0.00 -0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 67.86 2wrn n THR 6 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2wrn h ILE 7 N -1.37 0.58 0.00 2.28 5.03 -2.06 -1.29 117.51 120.69 2wrn h ILE 7 Ca -0.45 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.29 2wrn h ILE 7 Cb 1.33 0.58 0.00 0.00 -3.03 0.00 0.00 36.82 35.70 2wrn h ILE 7 CO 0.29 0.00 0.42 -1.13 -0.68 0.00 0.00 178.15 177.05 2wrn h ASN 8 N -0.51 0.00 1.19 1.72 -0.73 -2.00 2.29 115.58 117.54 2wrn h ASN 8 Ca -0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.13 2wrn h ASN 8 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.01 2wrn h ASN 8 CO 0.04 0.00 -0.78 1.56 -0.37 0.00 0.00 177.43 177.88 2wrn h GLN 9 N 0.00 0.00 0.03 6.67 4.20 -1.54 -3.17 115.11 121.30 2wrn h GLN 9 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2wrn h GLN 9 Cb 0.85 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 2wrn h GLN 9 CO 0.00 0.00 -0.30 -0.07 -0.67 0.00 0.00 178.83 177.79 2wrn h LEU 10 N 0.00 0.09 -1.34 1.46 3.38 0.43 -1.72 115.31 117.61 2wrn h LEU 10 Ca 0.00 -0.94 0.11 0.00 0.09 0.00 0.00 57.88 57.14 2wrn h LEU 10 Cb 0.99 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 2wrn h LEU 10 CO 0.00 1.13 0.53 0.58 0.09 0.00 0.00 178.44 180.78 2wrn h VAL 11 N -0.88 0.92 0.17 1.22 2.07 -1.45 2.12 116.25 120.42 2wrn h VAL 11 Ca -0.07 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2wrn h VAL 11 Cb 1.16 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2wrn h VAL 11 CO 0.00 0.13 -0.08 0.03 0.02 0.00 0.00 177.57 177.67 2wrn h ARG 12 N 0.72 -0.22 0.00 1.57 3.08 -1.59 -3.39 114.38 114.55 2wrn h ARG 12 Ca 0.39 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.45 2wrn h ARG 12 Cb 0.52 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2wrn h ARG 12 CO -0.15 0.11 -1.02 1.63 -1.07 0.00 0.00 179.97 179.47 2wrn n LYS 13 N -5.03 1.69 -1.25 0.04 5.02 -0.65 -5.10 118.16 112.88 2wrn n LYS 13 Ca -0.09 -0.05 0.16 0.00 -2.02 0.00 0.00 58.31 56.31 2wrn n LYS 13 Cb 0.23 -1.08 -0.05 0.00 -0.02 0.00 0.00 35.03 34.11 2wrn n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrn n GLY 14 N 1.74 -1.94 3.80 0.72 0.00 0.71 -4.81 105.19 105.42 2wrn n GLY 14 Ca -0.00 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 2wrn n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrn s ARG 15 N -2.80 4.43 -0.21 1.61 1.81 -1.26 -4.97 118.95 117.54 2wrn s ARG 15 Ca 0.00 1.13 -0.21 0.00 -1.72 0.00 0.00 55.73 54.93 2wrn s ARG 15 Cb 0.00 -2.78 -0.02 0.00 -0.45 0.00 0.00 34.95 31.70 2wrn s ARG 15 CO 0.00 0.30 0.67 -2.00 -0.68 0.00 0.00 175.30 173.59 2wrn s GLU 16 N -2.12 4.19 0.96 3.54 2.56 -1.26 -5.05 118.70 121.52 2wrn s GLU 16 Ca 0.48 0.67 -0.13 0.00 0.00 0.00 0.00 54.97 56.00 2wrn s GLU 16 Cb -0.17 -3.60 0.17 0.00 2.00 0.00 0.00 34.13 32.52 2wrn s GLU 16 CO 0.22 -0.32 1.12 0.21 -0.56 0.00 0.00 175.26 175.93 2wrn s LYS 17 N 2.19 0.72 0.00 4.30 2.36 -1.26 -5.05 119.74 123.00 2wrn s LYS 17 Ca 0.30 0.32 0.00 0.00 -2.55 0.00 0.00 55.97 54.04 2wrn s LYS 17 Cb -0.16 -1.79 0.00 0.00 -1.05 0.00 0.00 37.83 34.84 2wrn s LYS 17 CO 0.10 -2.49 0.19 1.33 1.55 0.00 0.00 175.35 176.02 2wrn n VAL 18 N -3.98 0.00 -1.36 4.02 0.24 -1.26 -5.08 118.33 110.92 2wrn n VAL 18 Ca 0.06 0.48 0.00 0.00 -2.04 0.00 0.00 64.34 62.84 2wrn n VAL 18 Cb 0.59 -1.06 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 2wrn n VAL 18 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2wrn n ARG 19 N -0.33 -3.83 -3.75 7.34 0.63 -1.26 -5.06 116.66 110.40 2wrn n ARG 19 Ca 0.00 2.80 -0.12 0.00 -0.92 0.00 0.00 57.85 59.61 2wrn n ARG 19 Cb 0.00 -3.11 -0.12 0.00 0.45 0.00 0.00 32.46 29.68 2wrn n ARG 19 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2wrn s LYS 20 N -3.26 0.30 1.41 -0.14 0.00 -1.26 -5.16 119.74 111.63 2wrn s LYS 20 Ca 0.00 0.49 -0.23 0.00 0.00 0.00 0.00 55.97 56.24 2wrn s LYS 20 Cb 0.00 0.04 0.36 0.00 0.00 0.00 0.00 37.83 38.23 2wrn s LYS 20 CO 0.00 -0.10 0.95 0.15 0.00 0.00 0.00 175.35 176.35 2wrn s LYS 21 N 0.70 -2.86 -0.27 1.78 1.02 -1.26 -4.98 119.74 113.87 2wrn s LYS 21 Ca -0.04 0.08 -0.10 0.00 0.02 0.00 0.00 55.97 55.92 2wrn s LYS 21 Cb -0.06 -1.39 -0.05 0.00 -0.52 0.00 0.00 37.83 35.81 2wrn s LYS 21 CO -0.04 -4.82 0.17 0.45 -0.92 0.00 0.00 175.35 170.19 2wrn s SER 22 N -3.27 5.93 0.00 2.83 0.15 -1.26 -4.95 113.70 113.13 2wrn s SER 22 Ca 0.69 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 57.37 2wrn s SER 22 Cb -0.12 -2.09 0.16 0.00 -1.71 0.00 0.00 66.02 62.26 2wrn s SER 22 CO 0.57 -0.02 1.04 1.17 1.20 0.00 0.00 173.24 177.20 2wrn n LYS 23 N 4.88 0.02 -3.19 5.44 4.81 -1.26 -4.29 118.16 124.56 2wrn n LYS 23 Ca -0.14 0.37 0.01 0.00 -0.87 0.00 0.00 58.31 57.68 2wrn n LYS 23 Cb 0.52 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 34.05 2wrn n LYS 23 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2wrn s VAL 24 N -2.84 -0.92 -1.20 3.15 1.01 -1.26 -5.01 120.40 113.34 2wrn s VAL 24 Ca 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 2wrn s VAL 24 Cb 0.02 -0.97 0.06 0.00 0.00 0.00 0.00 36.38 35.49 2wrn s VAL 24 CO 0.06 -0.03 2.60 -0.81 0.00 0.00 0.00 175.10 176.92 2wrn n PRO 25 N 5.41 4.03 0.00 2.72 -0.04 -1.26 -4.48 135.00 141.38 2wrn n PRO 25 Ca -0.01 -2.97 0.02 0.00 -0.04 0.00 0.00 63.50 60.50 2wrn n PRO 25 Cb 0.51 -2.57 0.13 0.00 -0.04 0.00 0.00 33.50 31.53 2wrn n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wrn n ALA 26 N 1.99 2.15 -0.69 0.55 0.00 -1.26 -4.90 120.51 118.34 2wrn n ALA 26 Ca 0.63 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 54.13 2wrn n ALA 26 Cb 0.31 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 2wrn n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrn n LEU 27 N -0.61 -0.42 -1.98 0.00 7.99 -1.26 -4.53 117.00 116.19 2wrn n LEU 27 Ca 0.03 0.97 0.00 0.00 -0.01 0.00 0.00 56.01 57.00 2wrn n LEU 27 Cb 0.01 -2.20 0.00 0.00 -0.11 0.00 0.00 43.42 41.12 2wrn n LEU 27 CO 0.02 -1.42 0.00 0.29 -1.51 0.00 0.00 177.39 174.77 2wrn n LYS 28 N -3.36 -0.72 -2.98 3.23 5.02 -1.26 -0.00 118.16 118.10 2wrn n LYS 28 Ca -0.02 -0.09 -0.21 0.00 -2.02 0.00 0.00 58.31 55.97 2wrn n LYS 28 Cb 0.32 0.17 -0.04 0.00 -0.02 0.00 0.00 35.03 35.46 2wrn n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrn n GLY 29 N -0.69 -0.21 3.82 0.72 0.00 -1.26 -4.79 105.19 102.78 2wrn n GLY 29 Ca 0.00 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2wrn n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrn s ALA 30 N -2.09 2.89 0.00 4.61 0.00 1.00 -5.01 121.76 123.15 2wrn s ALA 30 Ca 0.41 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2wrn s ALA 30 Cb -0.24 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2wrn s ALA 30 CO 0.50 -0.57 0.32 -2.30 0.00 0.00 0.00 175.76 173.70 2wrn n PRO 31 N -1.88 0.00 -1.36 0.00 -0.02 -1.26 -4.89 135.00 125.59 2wrn n PRO 31 Ca 0.08 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2wrn n PRO 31 Cb 0.53 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.17 2wrn n PRO 31 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2wrn n PHE 32 N -0.65 -1.30 -3.26 6.00 3.72 -1.26 -4.78 117.46 115.94 2wrn n PHE 32 Ca 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 2wrn n PHE 32 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 2wrn n PHE 32 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2wrn s ARG 33 N -1.58 0.07 0.75 -1.08 3.52 -0.49 -4.93 118.95 115.21 2wrn s ARG 33 Ca 0.00 0.16 -0.15 0.00 -0.13 0.00 0.00 55.73 55.61 2wrn s ARG 33 Cb 0.00 0.09 0.05 0.00 -1.56 0.00 0.00 34.95 33.53 2wrn s ARG 33 CO 0.00 -0.02 1.23 0.50 -0.81 0.00 0.00 175.30 176.20 2wrn s ARG 34 N 1.99 1.98 -0.03 5.12 3.52 -1.26 -1.43 118.95 128.84 2wrn s ARG 34 Ca -0.01 1.83 -0.30 0.00 -0.13 0.00 0.00 55.73 57.13 2wrn s ARG 34 Cb -0.01 -1.81 0.08 0.00 -1.56 0.00 0.00 34.95 31.65 2wrn s ARG 34 CO -0.16 -1.97 0.71 0.20 -0.81 0.00 0.00 175.30 173.27 2wrn s GLY 35 N -1.95 -0.55 -0.29 8.12 0.00 -0.85 -2.78 107.32 109.03 2wrn s GLY 35 Ca 0.76 1.26 -0.16 0.00 0.00 0.00 0.00 44.72 46.58 2wrn s GLY 35 CO 0.47 0.83 0.43 0.14 0.00 0.00 0.00 173.10 174.96 2wrn s VAL 36 N -1.62 5.13 0.00 1.40 1.01 -1.02 -1.22 120.40 124.07 2wrn s VAL 36 Ca -0.08 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 2wrn s VAL 36 Cb -0.00 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 2wrn s VAL 36 CO 0.05 0.07 1.89 0.00 0.00 0.00 0.00 175.10 177.11 2wrn n THR 38 N 5.62 0.00 -3.71 0.00 5.66 0.27 -2.54 114.28 119.58 2wrn n THR 38 Ca 0.20 -0.27 -0.11 0.00 -3.05 0.00 0.00 64.05 60.81 2wrn n THR 38 Cb 0.42 0.49 -0.10 0.00 -1.55 0.00 0.00 70.33 69.59 2wrn n THR 38 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2wrn s VAL 39 N -2.75 -0.01 -0.70 1.08 1.01 -1.01 -4.79 120.40 113.24 2wrn s VAL 39 Ca -0.01 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.07 2wrn s VAL 39 Cb 0.10 -0.62 0.24 0.00 0.00 0.00 0.00 36.38 36.09 2wrn s VAL 39 CO 0.60 0.02 0.75 0.52 0.00 0.00 0.00 175.10 176.98 2wrn n VAL 40 N 3.73 2.45 -0.90 2.92 0.31 -1.26 0.49 118.33 126.06 2wrn n VAL 40 Ca -0.19 -5.19 -0.07 0.00 -0.01 0.00 0.00 64.34 58.87 2wrn n VAL 40 Cb 0.56 -2.13 0.05 0.00 -0.91 0.00 0.00 33.84 31.41 2wrn n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wrn n ARG 41 N 1.18 -0.96 -3.89 5.55 0.00 -0.84 -4.95 116.66 112.75 2wrn n ARG 41 Ca 0.27 -0.45 -0.11 0.00 -0.00 0.00 0.00 57.85 57.56 2wrn n ARG 41 Cb 0.39 -0.36 -0.13 0.00 0.00 0.00 0.00 32.46 32.36 2wrn n ARG 41 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2wrn s THR 42 N -1.58 0.04 -0.06 5.15 -1.32 -1.26 -3.73 115.64 112.88 2wrn s THR 42 Ca 0.17 -0.31 -0.04 0.00 -1.21 0.00 0.00 61.69 60.30 2wrn s THR 42 Cb -0.01 -0.15 0.02 0.00 -1.51 0.00 0.00 72.50 70.85 2wrn s THR 42 CO 0.13 -0.17 0.14 0.68 -2.21 0.00 0.00 174.62 173.19 2wrn s VAL 43 N -0.51 -0.01 0.23 5.08 -7.23 -0.82 -4.94 120.40 112.19 2wrn s VAL 43 Ca -0.06 0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 59.87 2wrn s VAL 43 Cb -0.04 -0.21 -0.09 0.00 0.56 0.00 0.00 36.38 36.61 2wrn s VAL 43 CO -0.00 0.02 1.13 0.28 -0.31 0.00 0.00 175.10 176.22 2wrn s THR 44 N 0.39 3.56 0.41 5.32 -1.32 -1.26 -1.74 115.64 121.01 2wrn s THR 44 Ca -0.03 1.45 -0.07 0.00 -1.21 0.00 0.00 61.69 61.84 2wrn s THR 44 Cb -0.04 -3.92 0.10 0.00 -1.51 0.00 0.00 72.50 67.13 2wrn s THR 44 CO -0.02 0.30 0.29 -2.65 -2.21 0.00 0.00 174.62 170.33 2wrn n PRO 45 N 1.78 -2.34 0.00 7.08 -0.02 -1.25 -4.94 135.00 135.31 2wrn n PRO 45 Ca 0.01 -0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.02 2wrn n PRO 45 Cb 0.45 -0.53 0.00 0.00 -0.02 0.00 0.00 33.50 33.40 2wrn n PRO 45 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wrn n LYS 46 N -2.86 0.00 0.00 -0.52 4.81 -0.59 -4.97 118.16 114.03 2wrn n LYS 46 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2wrn n LYS 46 Cb 0.18 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.23 2wrn n LYS 46 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2wrn n LYS 47 N 0.00 0.00 -0.54 1.64 4.81 -1.26 -4.76 118.16 118.05 2wrn n LYS 47 Ca 0.00 0.00 0.44 0.00 -0.87 0.00 0.00 58.31 57.88 2wrn n LYS 47 Cb 0.00 0.00 0.72 0.00 0.02 0.00 0.00 35.03 35.77 2wrn n LYS 47 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2wrn n PRO 48 N -0.26 -0.03 -4.09 1.64 -0.04 -1.26 -4.51 135.00 126.45 2wrn n PRO 48 Ca 0.00 1.19 -0.29 0.00 -0.04 0.00 0.00 63.50 64.37 2wrn n PRO 48 Cb 0.00 -2.46 -0.07 0.00 -0.04 0.00 0.00 33.50 30.93 2wrn n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2wrn s ASN 49 N -4.15 5.32 0.02 3.54 0.02 -1.26 -5.13 114.94 113.30 2wrn s ASN 49 Ca -0.07 -0.13 0.01 0.00 -1.02 0.00 0.00 52.86 51.65 2wrn s ASN 49 Cb 0.30 -1.35 -0.02 0.00 0.02 0.00 0.00 41.25 40.20 2wrn s ASN 49 CO 0.84 0.13 -0.04 -0.55 0.02 0.00 0.00 177.10 177.50 2wrn s SER 50 N -2.66 0.38 0.00 -1.22 0.15 -1.26 -4.35 113.70 104.74 2wrn s SER 50 Ca 0.29 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2wrn s SER 50 Cb -0.11 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2wrn s SER 50 CO 0.21 -0.21 0.00 0.00 1.20 0.00 0.00 173.24 174.45 2wrn n ALA 51 N 1.89 0.00 -3.84 5.45 0.00 -1.26 -5.01 120.51 117.73 2wrn n ALA 51 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.95 2wrn n ALA 51 Cb 0.56 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.89 2wrn n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrn n LEU 52 N 0.00 2.65 -4.68 0.00 4.77 -1.26 -3.84 117.00 114.65 2wrn n LEU 52 Ca 0.00 -5.13 -0.47 0.00 -0.03 0.00 0.00 56.01 50.39 2wrn n LEU 52 Cb 0.00 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.44 2wrn n LEU 52 CO 0.00 1.77 1.37 0.54 -1.33 0.00 0.00 177.39 179.75 2wrn n ARG 53 N 2.03 2.26 -2.56 3.23 3.00 -0.71 -4.60 116.66 119.31 2wrn n ARG 53 Ca 0.21 0.82 -0.43 0.00 -0.01 0.00 0.00 57.85 58.45 2wrn n ARG 53 Cb 0.37 -2.65 -0.02 0.00 0.00 0.00 0.00 32.46 30.16 2wrn n ARG 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wrn s LYS 54 N 2.68 3.58 0.21 5.56 3.01 -1.26 -1.95 119.74 131.57 2wrn s LYS 54 Ca 0.86 0.42 0.05 0.00 -1.01 0.00 0.00 55.97 56.30 2wrn s LYS 54 Cb -0.66 -3.98 -0.05 0.00 -1.01 0.00 0.00 37.83 32.13 2wrn s LYS 54 CO 0.44 -1.58 -0.08 0.54 0.51 0.00 0.00 175.35 175.18 2wrn s VAL 55 N 4.88 1.37 0.01 3.17 0.11 -1.24 0.03 120.40 128.73 2wrn s VAL 55 Ca 0.47 -2.11 -0.06 0.00 -2.93 0.00 0.00 61.98 57.36 2wrn s VAL 55 Cb -0.08 -2.15 -0.01 0.00 -1.53 0.00 0.00 36.38 32.62 2wrn s VAL 55 CO 0.28 -0.51 0.10 0.00 -3.33 0.00 0.00 175.10 171.64 2wrn s ALA 56 N -3.20 -0.19 -0.21 1.54 0.00 -0.54 -1.98 121.76 117.18 2wrn s ALA 56 Ca 0.24 -0.30 -0.10 0.00 0.00 0.00 0.00 51.96 51.80 2wrn s ALA 56 Cb 0.03 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 2wrn s ALA 56 CO 0.06 -0.22 0.14 0.15 0.00 0.00 0.00 175.76 175.90 2wrn s LYS 57 N -1.61 4.15 0.09 0.00 1.02 0.18 -1.49 119.74 122.08 2wrn s LYS 57 Ca -0.13 -0.24 0.09 0.00 0.02 0.00 0.00 55.97 55.71 2wrn s LYS 57 Cb -0.07 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2wrn s LYS 57 CO 0.00 0.23 -0.23 0.08 -0.92 0.00 0.00 175.35 174.51 2wrn s VAL 58 N 0.56 2.48 -0.53 3.17 1.01 -1.07 -0.57 120.40 125.46 2wrn s VAL 58 Ca 0.08 -1.50 -0.10 0.00 0.00 0.00 0.00 61.98 60.46 2wrn s VAL 58 Cb -0.12 -2.07 0.13 0.00 0.00 0.00 0.00 36.38 34.33 2wrn s VAL 58 CO -0.00 0.21 0.42 -0.60 0.00 0.00 0.00 175.10 175.12 2wrn s ARG 59 N -1.76 2.67 0.80 2.72 3.52 -0.74 -2.64 118.95 123.52 2wrn s ARG 59 Ca 0.15 -1.88 -0.13 0.00 -0.13 0.00 0.00 55.73 53.74 2wrn s ARG 59 Cb -0.10 -4.02 0.08 0.00 -1.56 0.00 0.00 34.95 29.35 2wrn s ARG 59 CO 0.06 -1.23 1.17 -0.51 -0.81 0.00 0.00 175.30 173.98 2wrn s LEU 60 N 1.18 3.11 0.00 -0.88 2.01 -1.02 -2.44 118.68 120.64 2wrn s LEU 60 Ca 0.07 2.22 0.07 0.00 0.01 0.00 0.00 54.13 56.51 2wrn s LEU 60 Cb -0.25 -4.57 0.34 0.00 0.01 0.00 0.00 46.19 41.72 2wrn s LEU 60 CO -0.01 -2.54 1.13 0.35 1.01 0.00 0.00 176.35 176.29 2wrn n THR 61 N -3.38 1.08 -1.73 5.49 -2.24 -1.12 -2.66 114.28 109.74 2wrn n THR 61 Ca 0.12 0.27 -0.36 0.00 -2.27 0.00 0.00 64.05 61.81 2wrn n THR 61 Cb 0.51 -1.15 0.03 0.00 -2.10 0.00 0.00 70.33 67.62 2wrn n THR 61 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wrn n SER 62 N -1.36 7.32 -0.79 3.42 3.41 -1.26 -4.85 113.62 119.51 2wrn n SER 62 Ca 0.03 -3.68 0.00 0.00 -0.26 0.00 0.00 58.87 54.95 2wrn n SER 62 Cb 0.06 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 2wrn n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrn n GLY 63 N -0.28 0.00 3.56 5.00 0.00 -1.09 -4.81 105.19 107.57 2wrn n GLY 63 Ca 0.53 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.35 2wrn n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wrn n TYR 64 N -0.79 -1.65 -3.15 1.61 4.02 -1.25 -4.99 117.16 110.96 2wrn n TYR 64 Ca 0.00 -2.03 0.05 0.00 -0.01 0.00 0.00 57.90 55.91 2wrn n TYR 64 Cb 0.00 -0.47 -0.00 0.00 -0.02 0.00 0.00 39.34 38.85 2wrn n TYR 64 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2wrn s GLU 65 N -4.28 0.24 0.26 -0.72 2.12 -1.26 -2.42 118.70 112.63 2wrn s GLU 65 Ca 0.45 0.24 0.07 0.00 0.36 0.00 0.00 54.97 56.09 2wrn s GLU 65 Cb -0.04 0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.41 2wrn s GLU 65 CO 0.29 -0.44 -0.08 0.14 -0.54 0.00 0.00 175.26 174.62 2wrn s VAL 66 N 2.93 1.62 0.13 3.70 -7.23 -1.08 -4.97 120.40 115.51 2wrn s VAL 66 Ca 0.23 -2.14 -0.26 0.00 -1.81 0.00 0.00 61.98 57.99 2wrn s VAL 66 Cb -0.04 -2.33 -0.07 0.00 0.56 0.00 0.00 36.38 34.50 2wrn s VAL 66 CO -0.23 -0.38 0.82 -0.89 -0.31 0.00 0.00 175.10 174.10 2wrn s THR 67 N -3.03 4.45 -0.03 5.32 2.01 -1.26 -2.60 115.64 120.50 2wrn s THR 67 Ca 0.27 1.78 0.01 0.00 0.31 0.00 0.00 61.69 64.06 2wrn s THR 67 Cb 0.03 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.38 2wrn s THR 67 CO 0.10 0.45 -0.02 0.00 -0.69 0.00 0.00 174.62 174.46 2wrn s ALA 68 N -0.70 0.41 0.35 7.40 0.00 -0.56 -4.14 121.76 124.53 2wrn s ALA 68 Ca 0.39 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 2wrn s ALA 68 Cb -0.23 -0.29 -0.10 0.00 0.00 0.00 0.00 23.12 22.51 2wrn s ALA 68 CO 0.26 -0.02 0.99 -0.47 0.00 0.00 0.00 175.76 176.53 2wrn s TYR 69 N 0.74 3.51 -0.21 0.00 5.04 -1.02 -1.47 117.35 123.94 2wrn s TYR 69 Ca -0.08 1.72 -0.09 0.00 -2.44 0.00 0.00 57.07 56.17 2wrn s TYR 69 Cb -0.11 -3.01 -0.05 0.00 0.35 0.00 0.00 41.96 39.14 2wrn s TYR 69 CO -0.01 -0.15 0.12 0.42 -1.34 0.00 0.00 175.55 174.60 2wrn s ILE 70 N -1.64 5.19 0.81 3.14 1.01 0.10 -2.12 121.20 127.70 2wrn s ILE 70 Ca 0.53 0.12 -0.09 0.00 0.00 0.00 0.00 60.65 61.21 2wrn s ILE 70 Cb -0.20 -3.39 0.13 0.00 0.01 0.00 0.00 42.46 39.02 2wrn s ILE 70 CO 0.25 0.41 1.13 -2.84 0.00 0.00 0.00 174.94 173.89 2wrn s PRO 71 N 0.67 1.45 0.32 2.79 0.02 -1.26 -4.62 135.00 134.37 2wrn s PRO 71 Ca 0.07 -0.56 0.00 0.00 0.02 0.00 0.00 61.00 60.53 2wrn s PRO 71 Cb -0.12 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.31 2wrn s PRO 71 CO 0.01 -1.76 0.00 0.41 -0.33 0.00 0.00 177.00 175.34 2wrn n GLY 72 N -3.23 -1.91 3.59 0.52 0.00 -1.26 -4.73 105.19 98.17 2wrn n GLY 72 Ca 0.13 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 2wrn n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wrn s GLU 73 N -2.21 3.82 0.00 1.61 2.02 -1.26 -4.93 118.70 117.75 2wrn s GLU 73 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.08 2wrn s GLU 73 Cb 0.00 -3.74 0.00 0.00 0.10 0.00 0.00 34.13 30.49 2wrn s GLU 73 CO 0.00 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.15 2wrn n GLY 74 N 4.60 -1.76 3.64 -1.39 0.00 -1.26 -4.95 105.19 104.07 2wrn n GLY 74 Ca -0.04 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 2wrn n GLY 74 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wrn s HIS 75 N -2.25 -0.03 -0.80 1.61 -3.43 -1.26 -4.95 115.29 104.18 2wrn s HIS 75 Ca 0.00 0.02 0.02 0.00 -0.80 0.00 0.00 55.06 54.30 2wrn s HIS 75 Cb 0.00 0.50 0.32 0.00 -1.43 0.00 0.00 32.58 31.97 2wrn s HIS 75 CO 0.00 -0.04 1.31 0.27 -2.00 0.00 0.00 174.74 174.28 2wrn n ASN 76 N 0.02 5.68 -4.48 7.38 6.94 -1.26 -5.04 115.26 124.51 2wrn n ASN 76 Ca 0.04 -3.64 -0.33 0.00 -0.02 0.00 0.00 54.58 50.63 2wrn n ASN 76 Cb 0.57 -0.86 -0.13 0.00 -2.36 0.00 0.00 39.78 37.00 2wrn n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wrn s LEU 77 N -3.64 3.00 0.43 -4.53 1.43 -1.26 -4.69 118.68 109.41 2wrn s LEU 77 Ca 0.43 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.43 2wrn s LEU 77 Cb 0.21 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 2wrn s LEU 77 CO -0.10 0.24 0.33 -1.10 0.23 0.00 0.00 176.35 175.95 2wrn s GLN 78 N -0.07 2.43 0.00 1.70 -0.21 -1.26 -4.92 119.66 117.33 2wrn s GLN 78 Ca -0.00 -1.65 0.04 0.00 0.02 0.00 0.00 55.36 53.76 2wrn s GLN 78 Cb -0.14 -2.25 0.23 0.00 1.00 0.00 0.00 33.01 31.85 2wrn s GLN 78 CO 0.03 -0.21 0.58 -1.91 -2.12 0.00 0.00 175.29 171.66 2wrn n GLU 79 N -1.49 0.26 -1.90 2.91 0.00 -1.26 -2.79 120.64 116.37 2wrn n GLU 79 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.16 2wrn n GLU 79 Cb 0.63 -1.23 0.03 0.00 0.00 0.00 0.00 31.44 30.86 2wrn n GLU 79 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2wrn n HIS 80 N -0.73 -0.37 -3.30 4.31 1.44 -1.05 -3.70 115.22 111.81 2wrn n HIS 80 Ca 0.03 -1.13 -0.38 0.00 -2.01 0.00 0.00 57.72 54.23 2wrn n HIS 80 Cb 0.01 0.54 -0.06 0.00 0.12 0.00 0.00 29.99 30.61 2wrn n HIS 80 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2wrn s SER 81 N -1.73 6.66 0.62 4.39 0.01 -1.12 -4.70 113.70 117.82 2wrn s SER 81 Ca 0.14 0.79 -0.18 0.00 1.31 0.00 0.00 55.95 58.01 2wrn s SER 81 Cb 0.26 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 64.18 2wrn s SER 81 CO -0.08 -0.04 1.23 -0.69 0.41 0.00 0.00 173.24 174.07 2wrn s VAL 82 N 0.82 2.47 0.23 3.43 1.01 -1.26 -2.16 120.40 124.95 2wrn s VAL 82 Ca 0.26 0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 2wrn s VAL 82 Cb -0.15 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 2wrn s VAL 82 CO 0.10 -0.07 0.29 -0.69 0.00 0.00 0.00 175.10 174.73 2wrn s VAL 83 N -1.58 0.00 -0.07 2.92 1.01 -0.36 -3.36 120.40 118.97 2wrn s VAL 83 Ca 0.78 -1.76 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2wrn s VAL 83 Cb -0.32 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 2wrn s VAL 83 CO 0.36 0.00 -0.20 -0.22 0.00 0.00 0.00 175.10 175.03 2wrn s LEU 84 N -3.12 1.97 -0.20 3.92 0.20 -1.26 -2.01 118.68 118.16 2wrn s LEU 84 Ca 0.32 -0.44 -0.09 0.00 0.69 0.00 0.00 54.13 54.61 2wrn s LEU 84 Cb 0.03 -1.18 -0.05 0.00 -0.43 0.00 0.00 46.19 44.57 2wrn s LEU 84 CO 0.12 0.16 0.11 -0.63 -0.29 0.00 0.00 176.35 175.83 2wrn s ILE 85 N 0.15 5.18 0.00 6.68 1.09 -0.52 0.33 121.20 134.11 2wrn s ILE 85 Ca -0.09 0.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.57 2wrn s ILE 85 Cb -0.14 -3.37 0.00 0.00 -1.06 0.00 0.00 42.46 37.89 2wrn s ILE 85 CO 0.05 0.42 0.00 -1.14 -0.10 0.00 0.00 174.94 174.17 2wrn n ARG 86 N 3.73 0.00 -1.48 2.79 0.63 0.51 -1.39 116.66 121.44 2wrn n ARG 86 Ca -0.16 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.76 2wrn n ARG 86 Cb 0.52 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.45 2wrn n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wrn n GLY 87 N 5.00 -0.37 3.30 5.14 0.00 -1.26 -4.62 105.19 112.37 2wrn n GLY 87 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2wrn n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wrn s GLY 88 N -0.22 1.39 0.21 -0.02 0.00 -1.26 -4.83 107.32 102.59 2wrn s GLY 88 Ca 0.01 -0.98 -0.12 0.00 0.00 0.00 0.00 44.72 43.63 2wrn s GLY 88 CO -0.02 -0.45 0.57 1.09 0.00 0.00 0.00 173.10 174.29 2wrn s ARG 89 N 0.06 3.90 -0.95 2.90 1.70 -0.75 -1.76 118.95 124.05 2wrn s ARG 89 Ca -0.09 0.41 -0.01 0.00 -0.47 0.00 0.00 55.73 55.57 2wrn s ARG 89 Cb -0.15 -2.74 0.31 0.00 -0.57 0.00 0.00 34.95 31.80 2wrn s ARG 89 CO 0.06 0.36 1.48 0.28 -1.08 0.00 0.00 175.30 176.40 2wrn n VAL 90 N 0.21 5.08 -0.98 4.99 0.31 -1.16 -4.95 118.33 121.84 2wrn n VAL 90 Ca -0.01 -5.85 -0.03 0.00 -0.01 0.00 0.00 64.34 58.43 2wrn n VAL 90 Cb 0.52 -1.79 -0.01 0.00 -0.91 0.00 0.00 33.84 31.65 2wrn n VAL 90 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2wrn n LYS 91 N 0.53 0.00 0.00 5.55 3.00 -1.26 -1.46 118.16 124.51 2wrn n LYS 91 Ca 0.35 -0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 2wrn n LYS 91 Cb 0.32 -1.19 0.00 0.00 0.00 0.00 0.00 35.03 34.16 2wrn n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2wrn n ASP 92 N 4.63 0.00 -3.91 3.14 2.03 -1.26 -5.10 116.55 116.08 2wrn n ASP 92 Ca 0.04 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.25 2wrn n ASP 92 Cb 0.34 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.64 2wrn n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wrn s LEU 93 N 0.00 1.77 0.00 -2.67 1.43 -0.54 -1.54 118.68 117.13 2wrn s LEU 93 Ca 0.00 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2wrn s LEU 93 Cb 0.00 0.56 0.00 0.00 0.03 0.00 0.00 46.19 46.78 2wrn s LEU 93 CO 0.00 -0.42 0.00 -2.65 0.23 0.00 0.00 176.35 173.51 2wrn n PRO 94 N 1.18 2.99 -0.26 1.29 -0.02 -1.26 -4.39 135.00 134.52 2wrn n PRO 94 Ca -0.21 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.26 2wrn n PRO 94 Cb 0.57 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.05 2wrn n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrn n GLY 95 N 0.64 0.80 2.55 -1.23 0.00 -1.26 -4.40 105.19 102.28 2wrn n GLY 95 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2wrn n GLY 95 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wrn n VAL 96 N 3.72 1.82 0.23 1.61 0.31 -1.26 -4.22 118.33 120.54 2wrn n VAL 96 Ca 0.00 -4.17 0.03 0.00 -0.01 0.00 0.00 64.34 60.19 2wrn n VAL 96 Cb 0.00 -0.49 0.13 0.00 -0.91 0.00 0.00 33.84 32.58 2wrn n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wrn n ARG 97 N -0.32 0.04 -4.41 5.55 1.74 -1.26 -2.96 116.66 115.04 2wrn n ARG 97 Ca 0.27 0.31 -0.26 0.00 -0.77 0.00 0.00 57.85 57.41 2wrn n ARG 97 Cb 0.73 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.56 2wrn n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2wrn s TYR 98 N -2.78 2.38 0.03 -1.55 1.51 -1.16 -1.80 117.35 113.98 2wrn s TYR 98 Ca 0.04 -0.32 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 2wrn s TYR 98 Cb 0.04 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.73 2wrn s TYR 98 CO 0.09 0.57 -0.09 -1.01 -1.11 0.00 0.00 175.55 174.00 2wrn s HIS 99 N -1.94 2.81 0.49 2.71 3.76 -0.72 -2.44 115.29 119.95 2wrn s HIS 99 Ca 0.25 -0.10 -0.13 0.00 -0.15 0.00 0.00 55.06 54.93 2wrn s HIS 99 Cb -0.07 -1.55 -0.06 0.00 1.11 0.00 0.00 32.58 32.00 2wrn s HIS 99 CO 0.13 0.36 0.90 0.42 -0.85 0.00 0.00 174.74 175.70 2wrn s ILE 100 N -1.03 4.68 -0.34 0.60 1.01 -0.90 0.19 121.20 125.41 2wrn s ILE 100 Ca 0.18 0.87 -0.04 0.00 0.00 0.00 0.00 60.65 61.66 2wrn s ILE 100 Cb -0.11 -3.76 0.06 0.00 0.01 0.00 0.00 42.46 38.66 2wrn s ILE 100 CO 0.09 -0.70 0.09 -0.69 0.00 0.00 0.00 174.94 173.72 2wrn s VAL 101 N -2.62 3.39 0.33 2.92 1.01 0.15 -4.62 120.40 120.96 2wrn s VAL 101 Ca 0.55 -1.44 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 2wrn s VAL 101 Cb -0.10 -3.02 -0.11 0.00 0.00 0.00 0.00 36.38 33.14 2wrn s VAL 101 CO 0.36 -0.28 1.56 -0.13 0.00 0.00 0.00 175.10 176.61 2wrn s ARG 102 N 1.29 4.10 0.00 2.72 1.81 -1.26 -3.34 118.95 124.27 2wrn s ARG 102 Ca -0.01 2.60 0.00 0.00 -1.72 0.00 0.00 55.73 56.61 2wrn s ARG 102 Cb -0.20 -2.99 0.00 0.00 -0.45 0.00 0.00 34.95 31.30 2wrn s ARG 102 CO -0.00 -0.62 0.00 0.41 -0.68 0.00 0.00 175.30 174.41 2wrn n GLY 103 N 1.45 0.72 3.03 -3.53 0.00 -0.81 -3.74 105.19 102.31 2wrn n GLY 103 Ca 0.05 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 2wrn n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrn s VAL 104 N -2.00 0.86 0.00 1.61 1.01 -1.04 -4.89 120.40 115.95 2wrn s VAL 104 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2wrn s VAL 104 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2wrn s VAL 104 CO 0.00 0.26 0.00 -1.22 0.00 0.00 0.00 175.10 174.14 2wrn n TYR 105 N 3.13 -1.38 -0.28 5.22 0.53 -1.26 -2.69 117.16 120.42 2wrn n TYR 105 Ca -0.17 0.00 0.34 0.00 -1.02 0.00 0.00 57.90 57.05 2wrn n TYR 105 Cb 0.55 0.22 0.67 0.00 -1.03 0.00 0.00 39.34 39.75 2wrn n TYR 105 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 2wrn h ASP 106 N 0.00 0.00 -1.68 7.72 5.19 -1.92 -3.37 116.42 122.35 2wrn h ASP 106 Ca 0.00 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.96 2wrn h ASP 106 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2wrn h ASP 106 CO 0.00 0.00 1.38 0.00 -3.12 0.00 0.00 179.24 177.50 2wrn s ALA 107 N -4.71 1.84 1.35 3.45 0.00 -1.10 -4.90 121.76 117.68 2wrn s ALA 107 Ca -0.04 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 2wrn s ALA 107 Cb 0.20 -4.35 0.29 0.00 0.00 0.00 0.00 23.12 19.25 2wrn s ALA 107 CO 0.67 -4.29 0.65 0.00 0.00 0.00 0.00 175.76 172.79 2wrn n ALA 108 N 14.49 -3.96 -1.76 0.00 0.00 -1.26 -2.41 120.51 125.61 2wrn n ALA 108 Ca 0.30 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2wrn n ALA 108 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2wrn n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrn n GLY 109 N -4.28 1.13 2.72 0.00 0.00 -1.26 -1.92 105.19 101.58 2wrn n GLY 109 Ca 0.10 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 2wrn n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrn s VAL 110 N 3.43 -0.16 0.54 1.61 1.01 -1.15 -4.76 120.40 120.93 2wrn s VAL 110 Ca 0.00 0.36 -0.16 0.00 0.00 0.00 0.00 61.98 62.18 2wrn s VAL 110 Cb 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 36.38 36.09 2wrn s VAL 110 CO 0.00 0.13 1.01 -0.75 0.00 0.00 0.00 175.10 175.49 2wrn s LYS 111 N 2.21 3.73 0.00 2.72 2.20 -1.26 -3.65 119.74 125.68 2wrn s LYS 111 Ca 0.04 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 2wrn s LYS 111 Cb -0.12 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.10 2wrn s LYS 111 CO -0.04 -0.46 0.00 -0.25 -0.36 0.00 0.00 175.35 174.23 2wrn n ASP 112 N -1.73 0.00 -4.82 1.43 10.43 -1.26 -4.99 116.55 115.61 2wrn n ASP 112 Ca 0.07 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.10 2wrn n ASP 112 Cb 0.54 -0.42 -0.05 0.00 1.84 0.00 0.00 41.12 43.03 2wrn n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2wrn s ARG 113 N -0.15 3.99 0.00 -1.24 6.06 -1.24 -4.93 118.95 121.44 2wrn s ARG 113 Ca 0.00 1.17 0.00 0.00 -2.50 0.00 0.00 55.73 54.40 2wrn s ARG 113 Cb 0.00 -2.14 0.00 0.00 0.06 0.00 0.00 34.95 32.87 2wrn s ARG 113 CO 0.00 -0.24 0.00 1.63 -2.50 0.00 0.00 175.30 174.19 2wrn n LYS 114 N -0.98 0.00 0.00 5.12 5.02 -1.26 -4.92 118.16 121.13 2wrn n LYS 114 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2wrn n LYS 114 Cb 0.53 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 2wrn n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wrn n LYS 115 N -1.00 0.04 -1.50 1.97 4.76 -1.26 -4.65 118.16 116.52 2wrn n LYS 115 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 2wrn n LYS 115 Cb 0.00 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.04 2wrn n LYS 115 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2wrn n SER 116 N 0.00 -0.20 -0.07 4.39 7.64 -1.26 -4.69 113.62 119.43 2wrn n SER 116 Ca 0.00 -1.02 -0.08 0.00 1.01 0.00 0.00 58.87 58.77 2wrn n SER 116 Cb 0.00 -1.00 -0.05 0.00 -1.01 0.00 0.00 64.21 62.16 2wrn n SER 116 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2wrn h ARG 117 N 11.53 0.00 -0.74 1.43 3.08 -1.89 -3.36 114.38 124.43 2wrn h ARG 117 Ca 0.02 0.00 0.29 0.00 0.07 0.00 0.00 59.98 60.36 2wrn h ARG 117 Cb 1.07 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.99 2wrn h ARG 117 CO 1.34 0.32 0.32 0.45 -1.07 0.00 0.00 179.97 181.33 2wrn n SER 118 N -4.61 0.19 -4.35 7.04 2.88 -1.26 -1.67 113.62 111.84 2wrn n SER 118 Ca -0.11 1.24 -0.45 0.00 -1.33 0.00 0.00 58.87 58.21 2wrn n SER 118 Cb 0.32 -0.57 -0.05 0.00 -0.75 0.00 0.00 64.21 63.16 2wrn n SER 118 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wrn s LYS 119 N -5.24 3.02 0.00 -1.46 1.02 -1.26 -4.29 119.74 111.53 2wrn s LYS 119 Ca -0.07 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 54.44 2wrn s LYS 119 Cb 0.24 -4.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 2wrn s LYS 119 CO 0.58 -1.43 0.00 0.66 -0.92 0.00 0.00 175.35 174.23 2wrn n TYR 120 N 5.85 0.00 0.00 3.18 0.53 -0.67 -4.83 117.16 121.22 2wrn n TYR 120 Ca -0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.77 2wrn n TYR 120 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.72 2wrn n TYR 120 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wrn n GLY 121 N 0.00 2.05 0.00 2.72 0.00 -1.18 -2.92 105.19 105.85 2wrn n GLY 121 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wrn n GLY 121 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wrn n THR 122 N 0.00 0.00 -0.79 2.61 5.66 -1.26 -4.54 114.28 115.96 2wrn n THR 122 Ca 0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 2wrn n THR 122 Cb 0.00 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 68.98 2wrn n THR 122 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2wrn n LYS 123 N 0.87 -2.91 -2.26 1.09 5.02 -1.26 -4.65 118.16 114.06 2wrn n LYS 123 Ca 0.00 -1.30 -0.39 0.00 -2.02 0.00 0.00 58.31 54.60 2wrn n LYS 123 Cb 0.00 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 2wrn n LYS 123 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2wrn s LYS 124 N -4.84 2.87 -0.25 1.97 2.47 -1.26 -4.93 119.74 115.77 2wrn s LYS 124 Ca 0.54 0.22 -0.28 0.00 -1.56 0.00 0.00 55.97 54.89 2wrn s LYS 124 Cb -0.06 -4.32 -0.04 0.00 -1.46 0.00 0.00 37.83 31.96 2wrn s LYS 124 CO 0.42 -2.49 2.06 -1.25 0.16 0.00 0.00 175.35 174.25 2wrn s PRO 125 N 6.47 3.22 -0.18 4.03 0.04 -1.26 -4.82 135.00 142.51 2wrn s PRO 125 Ca 0.53 1.82 -0.42 0.00 0.04 0.00 0.00 61.00 62.98 2wrn s PRO 125 Cb -0.10 -4.30 -0.20 0.00 0.04 0.00 0.00 34.50 29.94 2wrn s PRO 125 CO 0.18 -1.99 1.24 1.17 0.04 0.00 0.00 177.00 177.63 2wrn n LYS 126 N 8.61 0.00 0.11 4.56 3.00 -1.26 -4.68 118.16 128.51 2wrn n LYS 126 Ca 0.27 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.62 2wrn n LYS 126 Cb 0.46 -1.47 0.18 0.00 0.00 0.00 0.00 35.03 34.20 2wrn n LYS 126 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wrn n GLU 127 N 2.36 0.05 -3.90 1.64 1.02 -1.26 -4.72 120.64 115.83 2wrn n GLU 127 Ca 0.23 0.44 -0.27 0.00 -0.02 0.00 0.00 57.16 57.54 2wrn n GLU 127 Cb 0.03 -2.03 0.01 0.00 -0.02 0.00 0.00 31.44 29.43 2wrn n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wrn n ALA 128 N -1.40 -1.65 0.00 0.62 0.00 -1.26 -5.34 120.51 111.48 2wrn n ALA 128 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2wrn n ALA 128 Cb 0.38 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 16.88 2wrn n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50