#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn n LEU 2 N 0.00 -1.57 0.02 3.17 0.00 -1.26 -5.00 117.00 112.35 2wrn n LEU 2 Ca 0.00 2.69 0.00 0.00 0.00 0.00 0.00 56.01 58.70 2wrn n LEU 2 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 43.42 40.30 2wrn n LEU 2 CO 0.00 -0.82 -0.26 0.35 0.00 0.00 0.00 177.39 176.67 2wrn n THR 3 N -2.65 0.13 -3.73 1.96 -2.24 -1.26 -4.98 114.28 101.51 2wrn n THR 3 Ca -0.00 0.04 -0.36 0.00 -2.27 0.00 0.00 64.05 61.46 2wrn n THR 3 Cb 0.47 -1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 67.48 2wrn n THR 3 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wrn s ASP 4 N -5.10 5.24 0.15 3.42 -1.08 -1.26 -4.95 116.67 113.07 2wrn s ASP 4 Ca 0.00 -2.99 -0.26 0.00 -0.52 0.00 0.00 52.55 48.78 2wrn s ASP 4 Cb 0.00 -1.84 -0.00 0.00 -1.46 0.00 0.00 42.92 39.61 2wrn s ASP 4 CO 0.00 -0.33 1.60 -0.65 0.52 0.00 0.00 175.17 176.30 2wrn h PRO 5 N 6.84 -0.35 0.00 4.34 0.11 -1.98 -0.12 132.00 140.84 2wrn h PRO 5 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2wrn h PRO 5 Cb 0.93 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2wrn h PRO 5 CO 0.72 -0.24 0.00 -0.89 -0.21 0.00 0.00 178.00 177.39 2wrn n ILE 6 N -5.42 0.00 0.26 4.15 -0.00 -1.26 0.48 119.36 117.57 2wrn n ILE 6 Ca -0.02 1.33 0.13 0.00 -0.00 0.00 0.00 62.75 64.19 2wrn n ILE 6 Cb 0.34 -2.15 0.57 0.00 -0.00 0.00 0.00 39.64 38.40 2wrn n ILE 6 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2wrn h ALA 7 N -1.76 1.73 0.02 -1.39 0.00 -1.95 2.87 119.26 118.79 2wrn h ALA 7 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2wrn h ALA 7 Cb 0.00 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2wrn h ALA 7 CO 0.00 -0.65 -0.61 0.22 0.00 0.00 0.00 179.25 178.21 2wrn h ASP 8 N 0.00 0.50 0.77 0.00 3.58 -0.01 -0.85 116.42 120.41 2wrn h ASP 8 Ca 0.06 -0.79 -0.04 0.00 0.42 0.00 0.00 57.03 56.68 2wrn h ASP 8 Cb 1.23 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 42.13 2wrn h ASP 8 CO -0.00 1.23 -0.37 -0.03 -2.88 0.00 0.00 179.24 177.19 2wrn h MET 9 N -0.17 -0.99 -1.03 0.28 4.05 0.96 1.41 114.93 119.44 2wrn h MET 9 Ca -0.08 0.07 0.38 0.00 -0.28 0.00 0.00 59.70 59.79 2wrn h MET 9 Cb 1.34 0.23 -0.16 0.00 -0.80 0.00 0.00 31.60 32.20 2wrn h MET 9 CO 0.12 -0.66 0.58 -0.07 0.23 0.00 0.00 176.91 177.10 2wrn h LEU 10 N -1.18 0.39 0.16 3.39 3.38 0.16 0.46 115.31 122.07 2wrn h LEU 10 Ca -0.11 0.22 -0.30 0.00 0.09 0.00 0.00 57.88 57.79 2wrn h LEU 10 Cb 0.79 0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.76 2wrn h LEU 10 CO 0.17 -0.30 -1.37 0.74 0.09 0.00 0.00 178.44 177.77 2wrn h THR 11 N 0.13 1.37 -0.31 0.22 2.02 -0.43 -2.88 112.91 113.02 2wrn h THR 11 Ca 0.80 -2.92 0.09 0.00 0.77 0.00 0.00 66.41 65.16 2wrn h THR 11 Cb 2.05 2.93 -0.01 0.00 -1.74 0.00 0.00 68.15 71.37 2wrn h THR 11 CO -0.68 0.86 0.42 0.03 0.37 0.00 0.00 175.52 176.52 2wrn h ARG 12 N 0.09 0.00 0.01 6.66 3.08 0.67 -2.07 114.38 122.81 2wrn h ARG 12 Ca -0.19 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 2wrn h ARG 12 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.08 2wrn h ARG 12 CO 0.21 0.00 -0.00 0.82 -1.07 0.00 0.00 179.97 179.93 2wrn h ILE 13 N 0.00 0.00 -0.72 2.04 1.08 -1.32 -2.94 117.51 115.66 2wrn h ILE 13 Ca 0.15 -0.12 0.11 0.00 -0.39 0.00 0.00 64.86 64.61 2wrn h ILE 13 Cb 0.99 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.62 2wrn h ILE 13 CO -0.00 0.00 -0.28 0.54 -0.69 0.00 0.00 178.15 177.72 2wrn n ARG 14 N -2.36 -0.16 0.25 2.37 1.74 -1.00 0.11 116.66 117.60 2wrn n ARG 14 Ca -0.00 1.11 -0.16 0.00 -0.77 0.00 0.00 57.85 58.02 2wrn n ARG 14 Cb 0.00 -1.64 -0.08 0.00 -1.02 0.00 0.00 32.46 29.72 2wrn n ARG 14 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2wrn h ASN 15 N 0.00 -1.00 -0.79 0.55 2.35 -1.56 -2.53 115.58 112.61 2wrn h ASN 15 Ca 0.25 0.08 0.18 0.00 -0.55 0.00 0.00 56.30 56.26 2wrn h ASN 15 Cb 0.43 0.33 -0.14 0.00 0.05 0.00 0.00 38.32 38.99 2wrn h ASN 15 CO -0.71 -0.53 -0.04 0.00 -1.65 0.00 0.00 177.43 174.49 2wrn h ALA 16 N -0.38 0.76 0.20 -0.83 0.00 0.95 -2.47 119.26 117.48 2wrn h ALA 16 Ca -0.04 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2wrn h ALA 16 Cb 0.70 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wrn h ALA 16 CO -0.04 -0.43 -0.10 1.79 0.00 0.00 0.00 179.25 180.47 2wrn h THR 17 N 0.07 0.82 -0.99 0.00 1.35 -0.45 -2.29 112.91 111.41 2wrn h THR 17 Ca 0.42 -0.07 0.32 0.00 -0.55 0.00 0.00 66.41 66.54 2wrn h THR 17 Cb 0.74 0.86 -0.18 0.00 -1.73 0.00 0.00 68.15 67.84 2wrn h THR 17 CO -0.73 0.02 0.24 0.03 -0.25 0.00 0.00 175.52 174.82 2wrn h ARG 18 N -0.30 0.02 -2.19 4.72 -0.00 -1.03 1.00 114.38 116.59 2wrn h ARG 18 Ca -0.03 -0.00 -0.73 0.00 -0.50 0.00 0.00 59.98 58.72 2wrn h ARG 18 Cb 0.23 -0.01 -0.32 0.00 0.00 0.00 0.00 29.97 29.88 2wrn h ARG 18 CO 0.05 0.02 0.47 1.33 0.00 0.00 0.00 179.97 181.83 2wrn n VAL 19 N -5.38 4.79 0.00 2.04 0.24 -1.19 -4.95 118.33 113.88 2wrn n VAL 19 Ca 0.29 -5.64 0.00 0.00 -2.04 0.00 0.00 64.34 56.95 2wrn n VAL 19 Cb 0.95 -1.46 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 2wrn n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2wrn n TYR 20 N -0.19 0.00 -3.08 6.34 4.01 0.34 -4.77 117.16 119.81 2wrn n TYR 20 Ca 0.43 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.77 2wrn n TYR 20 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.30 2wrn n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2wrn s LYS 21 N 0.00 4.42 0.12 -0.72 2.20 -0.87 -4.94 119.74 119.96 2wrn s LYS 21 Ca 0.00 0.85 -0.11 0.00 -0.36 0.00 0.00 55.97 56.35 2wrn s LYS 21 Cb 0.00 -3.42 0.09 0.00 -1.51 0.00 0.00 37.83 32.99 2wrn s LYS 21 CO 0.00 0.14 0.86 -1.91 -0.36 0.00 0.00 175.35 174.08 2wrn n GLU 22 N 3.51 -0.16 -3.64 4.03 4.07 -1.26 -4.56 120.64 122.64 2wrn n GLU 22 Ca -0.03 0.85 -0.07 0.00 -0.06 0.00 0.00 57.16 57.86 2wrn n GLU 22 Cb 0.51 -1.26 -0.07 0.00 -0.06 0.00 0.00 31.44 30.56 2wrn n GLU 22 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2wrn s SER 23 N -5.22 -0.30 0.54 4.31 0.15 -1.26 -3.42 113.70 108.49 2wrn s SER 23 Ca -0.07 0.56 0.05 0.00 0.70 0.00 0.00 55.95 57.19 2wrn s SER 23 Cb 0.10 0.56 0.03 0.00 -1.71 0.00 0.00 66.02 65.00 2wrn s SER 23 CO 0.38 -0.12 0.36 0.28 1.20 0.00 0.00 173.24 175.35 2wrn s THR 24 N 0.02 1.62 0.00 6.45 -1.32 -1.17 -4.97 115.64 116.26 2wrn s THR 24 Ca 0.04 -1.54 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 2wrn s THR 24 Cb -0.05 -2.16 0.00 0.00 -1.51 0.00 0.00 72.50 68.79 2wrn s THR 24 CO -0.09 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 172.79 2wrn n ASP 25 N -1.71 0.00 0.00 8.08 9.92 -1.26 -2.56 116.55 129.02 2wrn n ASP 25 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 2wrn n ASP 25 Cb 0.64 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 2wrn n ASP 25 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 2wrn n VAL 26 N 0.00 0.00 -0.82 2.53 3.14 -1.02 -4.66 118.33 117.49 2wrn n VAL 26 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 2wrn n VAL 26 Cb 0.00 0.00 0.13 0.00 -1.06 0.00 0.00 33.84 32.91 2wrn n VAL 26 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2wrn n PRO 27 N -1.43 -0.26 -4.76 1.45 -0.02 -1.26 -0.00 135.00 128.72 2wrn n PRO 27 Ca 0.00 -0.03 -0.33 0.00 -2.02 0.00 0.00 63.50 61.12 2wrn n PRO 27 Cb 0.00 -1.98 -0.12 0.00 -0.02 0.00 0.00 33.50 31.38 2wrn n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrn s ALA 28 N -2.39 2.80 -0.09 3.55 0.00 -0.91 -4.15 121.76 120.58 2wrn s ALA 28 Ca 0.60 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 2wrn s ALA 28 Cb -0.23 -1.10 0.04 0.00 0.00 0.00 0.00 23.12 21.83 2wrn s ALA 28 CO 0.64 0.54 0.20 0.45 0.00 0.00 0.00 175.76 177.60 2wrn s SER 29 N -0.70 -0.14 0.23 0.00 0.15 -1.26 -4.92 113.70 107.07 2wrn s SER 29 Ca 0.11 0.43 -0.14 0.00 0.70 0.00 0.00 55.95 57.04 2wrn s SER 29 Cb -0.11 0.32 0.30 0.00 -1.71 0.00 0.00 66.02 64.82 2wrn s SER 29 CO 0.01 -0.17 1.58 -0.09 1.20 0.00 0.00 173.24 175.78 2wrn h ARG 30 N 7.31 -0.03 -0.08 5.44 2.43 -2.01 1.45 114.38 128.89 2wrn h ARG 30 Ca -0.40 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.68 2wrn h ARG 30 Cb 1.15 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2wrn h ARG 30 CO 0.38 -0.02 -0.37 0.35 -1.51 0.00 0.00 179.97 178.80 2wrn h PHE 31 N -0.03 0.18 -0.49 2.20 3.57 -2.02 -2.98 116.94 117.37 2wrn h PHE 31 Ca 0.36 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.86 2wrn h PHE 31 Cb 0.60 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 2wrn h PHE 31 CO -0.70 0.51 0.23 -0.22 -2.23 0.00 0.00 178.31 175.90 2wrn h LYS 32 N 0.14 0.45 -0.34 1.11 3.64 0.15 -2.75 116.57 118.97 2wrn h LYS 32 Ca 0.01 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2wrn h LYS 32 Cb 0.72 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 2wrn h LYS 32 CO 0.05 0.30 -0.54 0.93 -2.27 0.00 0.00 179.45 177.92 2wrn h GLU 33 N 0.46 -0.42 -0.54 1.90 5.08 -0.96 -1.81 114.58 118.28 2wrn h GLU 33 Ca 0.22 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 2wrn h GLU 33 Cb 0.14 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 2wrn h GLU 33 CO -0.16 -0.28 -0.30 0.39 -1.00 0.00 0.00 179.01 177.66 2wrn n GLU 34 N -5.40 -0.22 0.00 2.33 -0.58 -1.04 0.20 120.64 115.94 2wrn n GLU 34 Ca -0.04 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.52 2wrn n GLU 34 Cb 0.35 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 2wrn n GLU 34 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2wrn n ILE 35 N -4.70 0.00 -0.20 -3.67 2.08 -0.69 -0.65 119.36 111.53 2wrn n ILE 35 Ca 0.02 1.33 -0.06 0.00 0.56 0.00 0.00 62.75 64.60 2wrn n ILE 35 Cb 0.16 -1.83 -0.01 0.00 -0.75 0.00 0.00 39.64 37.21 2wrn n ILE 35 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 2wrn h LEU 36 N 0.00 -1.27 0.00 1.39 3.38 0.24 0.58 115.31 119.64 2wrn h LEU 36 Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2wrn h LEU 36 Cb 0.00 0.61 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2wrn h LEU 36 CO 0.00 -0.32 0.10 -1.14 0.09 0.00 0.00 178.44 177.18 2wrn n ARG 37 N -5.43 0.00 -0.05 1.13 0.63 0.43 0.38 116.66 113.76 2wrn n ARG 37 Ca 0.03 0.12 -0.06 0.00 -0.92 0.00 0.00 57.85 57.02 2wrn n ARG 37 Cb 0.35 -1.60 -0.07 0.00 0.45 0.00 0.00 32.46 31.59 2wrn n ARG 37 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2wrn n ILE 38 N -0.98 0.69 0.00 5.15 5.41 0.20 -4.05 119.36 125.78 2wrn n ILE 38 Ca 0.00 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.37 2wrn n ILE 38 Cb 0.10 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 2wrn n ILE 38 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2wrn n LEU 39 N -2.49 0.20 -0.32 1.39 7.99 0.16 0.17 117.00 124.11 2wrn n LEU 39 Ca -0.18 0.71 0.13 0.00 -0.01 0.00 0.00 56.01 56.66 2wrn n LEU 39 Cb 0.80 -0.28 0.31 0.00 -0.11 0.00 0.00 43.42 44.14 2wrn n LEU 39 CO 0.19 -0.28 1.11 0.00 -1.51 0.00 0.00 177.39 176.90 2wrn h ALA 40 N -2.00 1.53 -0.15 -1.18 0.00 -1.78 0.57 119.26 116.26 2wrn h ALA 40 Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2wrn h ALA 40 Cb 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 2wrn h ALA 40 CO 0.00 -0.21 -0.39 -0.09 0.00 0.00 0.00 179.25 178.56 2wrn h ARG 41 N 0.56 -0.43 -0.99 0.00 2.43 -1.67 1.33 114.38 115.61 2wrn h ARG 41 Ca 0.56 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.76 2wrn h ARG 41 Cb 0.98 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2wrn h ARG 41 CO -0.45 -0.29 0.00 0.39 -1.51 0.00 0.00 179.97 178.11 2wrn n GLU 42 N -5.43 1.08 -3.12 0.20 -0.58 0.45 -4.88 120.64 108.35 2wrn n GLU 42 Ca -0.03 -0.07 -0.17 0.00 -0.42 0.00 0.00 57.16 56.47 2wrn n GLU 42 Cb 0.35 -1.47 0.02 0.00 -0.57 0.00 0.00 31.44 29.77 2wrn n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wrn n GLY 43 N 0.06 -0.89 0.00 0.62 0.00 0.46 -4.96 105.19 100.48 2wrn n GLY 43 Ca 0.01 1.10 0.00 0.00 0.00 0.00 0.00 46.02 47.13 2wrn n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wrn n PHE 44 N -0.60 0.00 -4.20 1.61 3.72 -0.40 -4.89 117.46 112.71 2wrn n PHE 44 Ca 0.02 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.29 2wrn n PHE 44 Cb 0.54 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.04 2wrn n PHE 44 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 2wrn n ILE 45 N -0.49 0.00 -0.00 4.37 -5.35 -1.26 -4.57 119.36 112.06 2wrn n ILE 45 Ca 0.00 -1.47 0.02 0.00 -0.27 0.00 0.00 62.75 61.03 2wrn n ILE 45 Cb 0.00 0.69 -0.11 0.00 -1.74 0.00 0.00 39.64 38.48 2wrn n ILE 45 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2wrn n LYS 46 N -0.42 0.64 -0.33 6.28 5.02 0.07 -4.55 118.16 124.87 2wrn n LYS 46 Ca 0.03 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2wrn n LYS 46 Cb 0.37 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 2wrn n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrn n GLY 47 N 1.42 0.80 2.43 0.72 0.00 -1.24 -4.96 105.19 104.35 2wrn n GLY 47 Ca -0.12 -1.85 -0.08 0.00 0.00 0.00 0.00 46.02 43.96 2wrn n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wrn n TYR 48 N 9.00 -1.50 -3.54 1.61 0.18 -1.26 0.12 117.16 121.77 2wrn n TYR 48 Ca 0.00 -1.46 -0.00 0.00 1.88 0.00 0.00 57.90 58.32 2wrn n TYR 48 Cb 0.00 0.50 -0.04 0.00 -0.38 0.00 0.00 39.34 39.41 2wrn n TYR 48 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 2wrn s GLU 49 N -2.33 0.45 0.10 -3.48 -1.05 -1.14 -4.99 118.70 106.27 2wrn s GLU 49 Ca 0.16 1.09 -0.36 0.00 -0.15 0.00 0.00 54.97 55.71 2wrn s GLU 49 Cb -0.02 0.61 -0.17 0.00 -0.44 0.00 0.00 34.13 34.11 2wrn s GLU 49 CO 0.11 -0.15 1.20 -2.13 0.95 0.00 0.00 175.26 175.24 2wrn n ARG 50 N 5.09 0.88 -1.54 -4.83 0.63 -1.26 -3.90 116.66 111.73 2wrn n ARG 50 Ca -0.11 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 2wrn n ARG 50 Cb 0.51 -1.86 0.00 0.00 0.45 0.00 0.00 32.46 31.57 2wrn n ARG 50 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2wrn n VAL 51 N 1.89 0.00 -3.81 5.15 0.24 -0.72 -4.99 118.33 116.09 2wrn n VAL 51 Ca 0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.35 2wrn n VAL 51 Cb 0.19 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.43 2wrn n VAL 51 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2wrn s ASP 52 N -0.54 -0.15 -0.33 -1.34 1.11 -1.26 -2.73 116.67 111.42 2wrn s ASP 52 Ca 0.00 0.31 -0.01 0.00 0.18 0.00 0.00 52.55 53.03 2wrn s ASP 52 Cb 0.00 0.29 0.11 0.00 1.07 0.00 0.00 42.92 44.39 2wrn s ASP 52 CO 0.00 -0.07 0.14 -0.69 1.18 0.00 0.00 175.17 175.73 2wrn s VAL 53 N 0.26 0.70 -0.91 -1.27 1.01 -0.69 -4.87 120.40 114.64 2wrn s VAL 53 Ca -0.01 -1.50 -0.08 0.00 0.00 0.00 0.00 61.98 60.38 2wrn s VAL 53 Cb -0.03 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 2wrn s VAL 53 CO -0.01 -0.76 0.70 0.47 0.00 0.00 0.00 175.10 175.50 2wrn n ASP 54 N 4.62 -5.88 0.00 3.32 9.92 -1.26 -2.45 116.55 124.82 2wrn n ASP 54 Ca 0.01 -0.73 0.00 0.00 -0.53 0.00 0.00 54.79 53.54 2wrn n ASP 54 Cb 0.40 -3.32 0.00 0.00 -0.64 0.00 0.00 41.12 37.56 2wrn n ASP 54 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wrn n GLY 55 N -1.70 1.35 3.43 0.44 0.00 -1.26 -4.88 105.19 102.56 2wrn n GLY 55 Ca -0.15 -0.02 -0.50 0.00 0.00 0.00 0.00 46.02 45.36 2wrn n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wrn n LYS 56 N 0.00 0.73 -1.99 1.61 5.02 -1.02 -4.85 118.16 117.65 2wrn n LYS 56 Ca 0.00 0.17 -0.43 0.00 -2.02 0.00 0.00 58.31 56.03 2wrn n LYS 56 Cb 0.00 -2.25 -0.03 0.00 -0.02 0.00 0.00 35.03 32.73 2wrn n LYS 56 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2wrn s PRO 57 N 6.77 3.89 0.50 1.97 0.04 -1.26 -1.69 135.00 145.21 2wrn s PRO 57 Ca 1.14 1.95 0.07 0.00 0.04 0.00 0.00 61.00 64.20 2wrn s PRO 57 Cb -0.96 -4.06 0.03 0.00 0.04 0.00 0.00 34.50 29.54 2wrn s PRO 57 CO 0.50 -1.20 0.49 0.71 0.04 0.00 0.00 177.00 177.54 2wrn s TYR 58 N 5.06 1.98 0.22 0.56 1.51 -1.11 -2.13 117.35 123.44 2wrn s TYR 58 Ca 0.76 -0.68 0.11 0.00 -1.01 0.00 0.00 57.07 56.25 2wrn s TYR 58 Cb -0.30 -2.09 -0.05 0.00 -0.11 0.00 0.00 41.96 39.42 2wrn s TYR 58 CO 0.31 -0.52 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.51 2wrn s LEU 59 N -4.32 2.50 -0.08 -1.29 1.43 1.00 -1.76 118.68 116.16 2wrn s LEU 59 Ca 0.46 -0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 2wrn s LEU 59 Cb -0.04 -1.05 0.04 0.00 0.03 0.00 0.00 46.19 45.17 2wrn s LEU 59 CO 0.28 0.05 0.06 -0.60 0.23 0.00 0.00 176.35 176.37 2wrn s ARG 60 N -3.06 0.05 -0.15 1.70 3.52 -1.25 -2.44 118.95 117.32 2wrn s ARG 60 Ca 0.23 0.23 -0.16 0.00 -0.13 0.00 0.00 55.73 55.90 2wrn s ARG 60 Cb -0.06 -0.89 -0.04 0.00 -1.56 0.00 0.00 34.95 32.40 2wrn s ARG 60 CO 0.11 -0.41 0.39 0.08 -0.81 0.00 0.00 175.30 174.66 2wrn s VAL 61 N 2.13 5.24 -0.90 7.11 1.01 -1.06 -2.89 120.40 131.04 2wrn s VAL 61 Ca 0.04 0.75 -0.15 0.00 0.00 0.00 0.00 61.98 62.62 2wrn s VAL 61 Cb -0.13 -3.73 0.19 0.00 0.00 0.00 0.00 36.38 32.71 2wrn s VAL 61 CO -0.05 0.34 0.95 -0.31 0.00 0.00 0.00 175.10 176.04 2wrn s TYR 62 N 0.68 3.55 0.73 5.22 2.02 0.12 -3.04 117.35 126.63 2wrn s TYR 62 Ca 0.21 -1.83 -0.16 0.00 -0.37 0.00 0.00 57.07 54.92 2wrn s TYR 62 Cb -0.14 -4.01 -0.07 0.00 -0.40 0.00 0.00 41.96 37.34 2wrn s TYR 62 CO 0.07 -1.19 0.22 1.28 -1.57 0.00 0.00 175.55 174.37 2wrn n LEU 63 N 4.91 -0.97 -4.28 -1.29 7.99 -1.22 -0.75 117.00 121.39 2wrn n LEU 63 Ca 0.19 0.53 -0.15 0.00 -0.01 0.00 0.00 56.01 56.57 2wrn n LEU 63 Cb 0.47 -1.09 -0.10 0.00 -0.11 0.00 0.00 43.42 42.59 2wrn n LEU 63 CO 0.42 -3.84 -0.38 -0.75 -1.51 0.00 0.00 177.39 171.32 2wrn s LYS 64 N -2.39 1.16 0.00 3.23 2.20 -1.26 -4.54 119.74 118.14 2wrn s LYS 64 Ca 0.60 -1.53 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 2wrn s LYS 64 Cb -0.35 -0.63 0.00 0.00 -1.51 0.00 0.00 37.83 35.34 2wrn s LYS 64 CO 0.63 0.02 0.00 0.66 -0.36 0.00 0.00 175.35 176.30 2wrn n TYR 65 N -0.27 -0.01 -1.73 4.03 4.02 -1.26 -4.41 117.16 117.53 2wrn n TYR 65 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2wrn n TYR 65 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.94 2wrn n TYR 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wrn n GLY 66 N 0.00 3.83 3.94 2.72 0.00 -0.12 -4.73 105.19 110.84 2wrn n GLY 66 Ca 0.00 -1.89 -0.25 0.00 0.00 0.00 0.00 46.02 43.88 2wrn n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wrn s PRO 67 N 2.75 3.04 1.18 1.61 0.04 -1.26 -4.82 135.00 137.55 2wrn s PRO 67 Ca 0.00 -0.27 -0.15 0.00 0.04 0.00 0.00 61.00 60.62 2wrn s PRO 67 Cb 0.00 -2.44 0.28 0.00 0.04 0.00 0.00 34.50 32.38 2wrn s PRO 67 CO 0.00 -0.43 1.03 0.50 0.04 0.00 0.00 177.00 178.15 2wrn s ARG 68 N -4.73 -1.07 0.20 4.56 3.52 -1.26 -4.28 118.95 115.88 2wrn s ARG 68 Ca 0.50 0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 56.60 2wrn s ARG 68 Cb -0.10 -1.56 -0.04 0.00 -1.56 0.00 0.00 34.95 31.69 2wrn s ARG 68 CO 0.41 -3.74 0.14 1.03 -0.81 0.00 0.00 175.30 172.33 2wrn s ARG 69 N -4.79 1.20 0.53 5.12 0.52 -0.99 -4.89 118.95 115.66 2wrn s ARG 69 Ca 0.68 -1.61 -0.03 0.00 -0.52 0.00 0.00 55.73 54.25 2wrn s ARG 69 Cb -0.20 0.27 0.11 0.00 0.52 0.00 0.00 34.95 35.66 2wrn s ARG 69 CO 0.61 -0.39 0.73 1.04 0.02 0.00 0.00 175.30 177.31 2wrn n GLN 70 N -0.26 -0.14 -1.14 3.54 1.13 -1.26 -4.57 117.38 114.67 2wrn n GLN 70 Ca 0.02 -1.71 0.12 0.00 -1.94 0.00 0.00 57.00 53.48 2wrn n GLN 70 Cb 0.66 -0.57 -0.06 0.00 0.11 0.00 0.00 30.24 30.38 2wrn n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wrn n GLY 71 N -0.34 -2.00 3.14 1.08 0.00 -1.26 -4.58 105.19 101.23 2wrn n GLY 71 Ca 0.11 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 2wrn n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wrn n PRO 72 N -3.74 -0.05 -3.12 1.61 -0.02 -1.26 -3.79 135.00 124.64 2wrn n PRO 72 Ca -0.05 -0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.29 2wrn n PRO 72 Cb 0.54 -1.24 0.01 0.00 -0.02 0.00 0.00 33.50 32.79 2wrn n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2wrn n ASP 73 N 2.10 -7.15 0.14 2.55 4.64 -1.26 -4.86 116.55 112.70 2wrn n ASP 73 Ca 0.02 0.12 0.13 0.00 -1.38 0.00 0.00 54.79 53.68 2wrn n ASP 73 Cb 0.54 -4.29 0.43 0.00 -1.04 0.00 0.00 41.12 36.76 2wrn n ASP 73 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2wrn h PRO 74 N 1.46 0.00 -4.94 -0.67 0.13 -1.81 -3.46 132.00 122.72 2wrn h PRO 74 Ca -0.17 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.30 2wrn h PRO 74 Cb 1.12 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.29 2wrn h PRO 74 CO 0.24 0.00 0.13 0.54 -0.23 0.00 0.00 178.00 178.68 2wrn n ARG 75 N -2.39 0.00 0.00 0.86 1.74 -1.26 -2.33 116.66 113.27 2wrn n ARG 75 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2wrn n ARG 75 Cb 0.37 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 2wrn n ARG 75 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2wrn n PRO 76 N 1.54 1.03 -4.32 5.56 -0.04 -1.26 -4.69 135.00 132.81 2wrn n PRO 76 Ca 0.18 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.38 2wrn n PRO 76 Cb 0.05 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.42 2wrn n PRO 76 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2wrn s GLU 77 N 0.00 2.05 0.07 0.54 2.12 -1.26 -4.96 118.70 117.26 2wrn s GLU 77 Ca 0.00 -1.39 0.02 0.00 0.36 0.00 0.00 54.97 53.96 2wrn s GLU 77 Cb 0.00 -2.09 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 2wrn s GLU 77 CO 0.00 0.40 0.14 -0.65 -0.54 0.00 0.00 175.26 174.60 2wrn s GLN 78 N -3.15 3.12 0.15 4.30 -0.21 -1.26 -0.94 119.66 121.67 2wrn s GLN 78 Ca 0.27 -0.59 0.06 0.00 0.02 0.00 0.00 55.36 55.12 2wrn s GLN 78 Cb -0.08 -2.86 -0.09 0.00 1.00 0.00 0.00 33.01 30.99 2wrn s GLN 78 CO 0.16 0.58 1.34 0.28 -2.12 0.00 0.00 175.29 175.53 2wrn h VAL 79 N 2.35 1.61 -3.72 1.09 2.07 -1.85 -3.39 116.25 114.42 2wrn h VAL 79 Ca -0.46 -3.02 -0.75 0.00 0.82 0.00 0.00 66.70 63.28 2wrn h VAL 79 Cb 1.16 2.67 -0.30 0.00 -1.52 0.00 0.00 31.29 33.31 2wrn h VAL 79 CO 0.70 0.87 -0.08 -0.63 0.02 0.00 0.00 177.57 178.45 2wrn s ILE 80 N -2.95 4.88 -0.14 4.57 1.01 -1.25 -4.81 121.20 122.51 2wrn s ILE 80 Ca -0.01 -2.70 0.17 0.00 0.00 0.00 0.00 60.65 58.12 2wrn s ILE 80 Cb 0.10 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.43 2wrn s ILE 80 CO 0.82 -0.97 0.99 0.45 0.00 0.00 0.00 174.94 176.22 2wrn h HIS 81 N 7.45 0.00 -3.85 3.97 3.86 -1.37 -3.47 115.15 121.74 2wrn h HIS 81 Ca 0.06 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.05 2wrn h HIS 81 Cb 1.00 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.32 2wrn h HIS 81 CO 0.91 0.51 -0.69 -1.58 0.86 0.00 0.00 177.93 177.94 2wrn s HIS 82 N -2.97 0.90 0.00 2.45 5.65 -1.11 -5.00 115.29 115.21 2wrn s HIS 82 Ca -0.01 -0.94 0.00 0.00 0.25 0.00 0.00 55.06 54.36 2wrn s HIS 82 Cb 0.08 -0.52 0.00 0.00 -1.18 0.00 0.00 32.58 30.96 2wrn s HIS 82 CO 0.79 -0.18 0.00 1.51 -0.65 0.00 0.00 174.74 176.22 2wrn n ILE 83 N -0.05 0.00 -3.80 0.89 0.13 -1.26 -3.44 119.36 111.83 2wrn n ILE 83 Ca -0.12 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.41 2wrn n ILE 83 Cb 0.61 0.00 -0.13 0.00 -0.84 0.00 0.00 39.64 39.29 2wrn n ILE 83 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 2wrn s ARG 84 N 0.00 0.19 0.09 9.51 3.52 -1.25 -4.94 118.95 126.07 2wrn s ARG 84 Ca 0.00 0.26 -0.31 0.00 -0.13 0.00 0.00 55.73 55.55 2wrn s ARG 84 Cb 0.00 0.06 -0.07 0.00 -1.56 0.00 0.00 34.95 33.38 2wrn s ARG 84 CO 0.00 -0.04 1.33 0.50 -0.81 0.00 0.00 175.30 176.27 2wrn s ARG 85 N 0.23 4.36 0.00 5.12 3.52 -1.26 -3.91 118.95 127.00 2wrn s ARG 85 Ca -0.01 1.97 0.00 0.00 -0.13 0.00 0.00 55.73 57.55 2wrn s ARG 85 Cb -0.02 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 2wrn s ARG 85 CO -0.01 -0.38 0.00 -0.89 -0.81 0.00 0.00 175.30 173.21 2wrn n ILE 86 N 3.98 0.00 -1.89 4.11 2.08 -1.10 -4.79 119.36 121.75 2wrn n ILE 86 Ca 0.11 0.05 -0.42 0.00 0.56 0.00 0.00 62.75 63.05 2wrn n ILE 86 Cb 0.44 -0.77 -0.03 0.00 -0.75 0.00 0.00 39.64 38.53 2wrn n ILE 86 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2wrn s SER 87 N -1.28 5.57 0.40 4.38 0.15 -1.24 -4.87 113.70 116.82 2wrn s SER 87 Ca 0.00 1.24 0.08 0.00 0.70 0.00 0.00 55.95 57.97 2wrn s SER 87 Cb 0.00 -2.52 -0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2wrn s SER 87 CO 0.00 -1.97 0.48 -0.54 1.20 0.00 0.00 173.24 172.41 2wrn s LYS 88 N 6.25 2.76 0.36 5.44 1.02 -1.18 -4.84 119.74 129.54 2wrn s LYS 88 Ca 0.83 -1.31 0.19 0.00 0.02 0.00 0.00 55.97 55.70 2wrn s LYS 88 Cb -0.22 -2.63 0.43 0.00 -0.52 0.00 0.00 37.83 34.89 2wrn s LYS 88 CO 0.31 -0.19 1.61 -1.00 -0.92 0.00 0.00 175.35 175.17 2wrn h PRO 89 N 0.83 0.00 0.00 -1.68 0.13 -1.96 -1.73 132.00 127.59 2wrn h PRO 89 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2wrn h PRO 89 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2wrn h PRO 89 CO 0.51 0.34 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 2wrn n GLY 90 N 0.78 -0.99 2.73 1.56 0.00 -1.26 -4.08 105.19 103.92 2wrn n GLY 90 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 2wrn n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wrn n ARG 91 N -1.35 0.47 -1.72 1.61 0.63 -0.88 -5.14 116.66 110.29 2wrn n ARG 91 Ca 0.08 -1.50 -0.43 0.00 -0.92 0.00 0.00 57.85 55.08 2wrn n ARG 91 Cb 0.17 -0.99 -0.03 0.00 0.45 0.00 0.00 32.46 32.07 2wrn n ARG 91 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wrn n ARG 92 N 2.22 2.63 -3.95 -0.14 5.12 -0.70 -3.11 116.66 118.73 2wrn n ARG 92 Ca 0.11 0.95 -0.29 0.00 -1.93 0.00 0.00 57.85 56.69 2wrn n ARG 92 Cb 0.62 -2.75 -0.16 0.00 -1.16 0.00 0.00 32.46 29.00 2wrn n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2wrn s VAL 93 N 0.72 1.32 0.06 1.55 1.01 -1.26 -4.95 120.40 118.85 2wrn s VAL 93 Ca 0.72 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 62.17 2wrn s VAL 93 Cb -0.53 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2wrn s VAL 93 CO 0.39 0.29 -0.23 -0.31 0.00 0.00 0.00 175.10 175.24 2wrn s TYR 94 N 1.57 2.04 -0.01 5.22 1.51 -1.26 -1.64 117.35 124.77 2wrn s TYR 94 Ca 0.03 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.67 2wrn s TYR 94 Cb -0.14 -1.19 -0.00 0.00 -0.11 0.00 0.00 41.96 40.52 2wrn s TYR 94 CO -0.09 0.14 0.06 0.14 -1.11 0.00 0.00 175.55 174.69 2wrn s VAL 95 N -0.87 0.05 0.70 0.71 -7.23 -0.91 -4.94 120.40 107.91 2wrn s VAL 95 Ca 0.10 -0.43 -0.11 0.00 -1.81 0.00 0.00 61.98 59.72 2wrn s VAL 95 Cb -0.09 -0.23 0.01 0.00 0.56 0.00 0.00 36.38 36.63 2wrn s VAL 95 CO 0.03 -0.23 1.09 -0.83 -0.31 0.00 0.00 175.10 174.84 2wrn s GLY 96 N -0.73 1.63 0.16 2.32 0.00 -1.26 -3.22 107.32 106.22 2wrn s GLY 96 Ca -0.08 -0.30 -0.17 0.00 0.00 0.00 0.00 44.72 44.17 2wrn s GLY 96 CO 0.00 0.06 1.67 -0.24 0.00 0.00 0.00 173.10 174.60 2wrn h VAL 97 N -0.64 0.63 -0.42 1.40 3.04 -1.94 0.68 116.25 119.00 2wrn h VAL 97 Ca -0.45 -0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.29 2wrn h VAL 97 Cb 1.25 0.62 -0.05 0.00 -2.01 0.00 0.00 31.29 31.09 2wrn h VAL 97 CO 0.63 0.00 0.13 0.07 -1.01 0.00 0.00 177.57 177.39 2wrn h LYS 98 N 0.01 0.27 -0.24 4.17 2.10 -1.93 -1.58 116.57 119.37 2wrn h LYS 98 Ca 0.18 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2wrn h LYS 98 Cb 0.28 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2wrn h LYS 98 CO -0.38 0.18 0.00 0.39 -2.00 0.00 0.00 179.45 177.64 2wrn n GLU 99 N -5.04 1.30 -1.82 0.07 1.02 -0.59 -4.93 120.64 110.65 2wrn n GLU 99 Ca 0.03 -0.40 -0.38 0.00 -0.02 0.00 0.00 57.16 56.39 2wrn n GLU 99 Cb 0.17 -1.17 0.04 0.00 -0.02 0.00 0.00 31.44 30.46 2wrn n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2wrn s ILE 100 N -1.76 2.16 1.05 -3.67 1.01 0.13 -4.72 121.20 115.41 2wrn s ILE 100 Ca 0.07 0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.72 2wrn s ILE 100 Cb 0.04 -3.06 0.22 0.00 0.01 0.00 0.00 42.46 39.68 2wrn s ILE 100 CO 0.04 -0.01 1.07 -2.84 0.00 0.00 0.00 174.94 173.20 2wrn s PRO 101 N -3.01 -0.03 -0.38 2.79 0.02 -1.26 -5.03 135.00 128.11 2wrn s PRO 101 Ca 0.74 0.78 0.11 0.00 0.02 0.00 0.00 61.00 62.64 2wrn s PRO 101 Cb -0.39 -1.66 0.33 0.00 0.02 0.00 0.00 34.50 32.80 2wrn s PRO 101 CO 0.44 -3.11 0.69 0.54 -0.33 0.00 0.00 177.00 175.24 2wrn n ARG 102 N -4.48 0.93 -1.58 5.54 3.00 -1.26 -5.02 116.66 113.79 2wrn n ARG 102 Ca 0.05 -3.36 -0.53 0.00 -0.01 0.00 0.00 57.85 54.00 2wrn n ARG 102 Cb 0.55 -1.61 -0.06 0.00 0.00 0.00 0.00 32.46 31.34 2wrn n ARG 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2wrn n VAL 103 N 0.51 0.01 -3.82 1.55 0.31 -1.26 -3.22 118.33 112.41 2wrn n VAL 103 Ca 0.24 -0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.27 2wrn n VAL 103 Cb 0.63 -0.75 0.01 0.00 -0.91 0.00 0.00 33.84 32.82 2wrn n VAL 103 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wrn n ARG 104 N 2.49 -0.69 -2.96 5.55 3.00 -1.26 -1.20 116.66 121.58 2wrn n ARG 104 Ca 0.19 0.16 -0.13 0.00 -0.00 0.00 0.00 57.85 58.07 2wrn n ARG 104 Cb 0.18 -1.64 -0.03 0.00 0.00 0.00 0.00 32.46 30.96 2wrn n ARG 104 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2wrn n ARG 105 N -3.37 -0.95 0.00 -0.14 3.00 -1.20 0.24 116.66 114.25 2wrn n ARG 105 Ca -0.15 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.74 2wrn n ARG 105 Cb 0.47 -1.42 0.00 0.00 0.00 0.00 0.00 32.46 31.50 2wrn n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wrn n GLY 106 N -1.27 3.36 0.16 5.14 0.00 -0.34 -4.92 105.19 107.32 2wrn n GLY 106 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.03 2wrn n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wrn h LEU 107 N 0.00 0.00-10.49 0.99 3.38 -0.27 -3.46 115.31 105.46 2wrn h LEU 107 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 2wrn h LEU 107 Cb 0.00 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.80 2wrn h LEU 107 CO 0.00 0.23 -0.02 -0.83 0.09 0.00 0.00 178.44 177.91 2wrn s GLY 108 N -4.38 1.80 0.19 0.83 0.00 -1.12 -4.90 107.32 99.73 2wrn s GLY 108 Ca 0.04 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.49 2wrn s GLY 108 CO 0.73 -1.00 0.10 4.51 0.00 0.00 0.00 173.10 177.44 2wrn n ILE 109 N -2.36 0.00 -2.77 0.90 3.06 0.11 -4.75 119.36 113.55 2wrn n ILE 109 Ca 0.07 -0.78 0.01 0.00 -2.50 0.00 0.00 62.75 59.55 2wrn n ILE 109 Cb 0.60 -0.20 0.01 0.00 0.54 0.00 0.00 39.64 40.58 2wrn n ILE 109 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wrn s ALA 110 N -2.28 -4.36 0.75 1.51 0.00 -1.26 -2.06 121.76 114.05 2wrn s ALA 110 Ca 0.08 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 53.01 2wrn s ALA 110 Cb -0.01 -3.00 0.05 0.00 0.00 0.00 0.00 23.12 20.16 2wrn s ALA 110 CO 0.05 -2.49 1.15 0.42 0.00 0.00 0.00 175.76 174.89 2wrn s ILE 111 N 1.78 2.67 -0.06 0.00 1.01 -1.07 -2.97 121.20 122.56 2wrn s ILE 111 Ca 0.16 0.29 -0.29 0.00 0.00 0.00 0.00 60.65 60.81 2wrn s ILE 111 Cb 0.04 -2.74 0.11 0.00 0.01 0.00 0.00 42.46 39.88 2wrn s ILE 111 CO -0.14 -0.22 0.92 -1.48 0.00 0.00 0.00 174.94 174.02 2wrn s LEU 112 N -5.43 -0.38 -0.11 2.97 2.34 -1.22 -1.94 118.68 114.91 2wrn s LEU 112 Ca 0.69 0.19 -0.05 0.00 0.06 0.00 0.00 54.13 55.02 2wrn s LEU 112 Cb -0.24 1.99 -0.04 0.00 -0.56 0.00 0.00 46.19 47.35 2wrn s LEU 112 CO 0.48 -0.52 0.08 -0.55 -1.06 0.00 0.00 176.35 174.78 2wrn s SER 113 N -1.92 5.85 0.14 1.48 0.15 -0.24 -3.01 113.70 116.15 2wrn s SER 113 Ca 0.02 0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.95 2wrn s SER 113 Cb -0.01 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 2wrn s SER 113 CO -0.04 0.37 0.08 0.42 1.20 0.00 0.00 173.24 175.27 2wrn s THR 114 N -0.81 0.09 0.55 6.45 -4.23 -0.76 -0.53 115.64 116.39 2wrn s THR 114 Ca 0.13 -1.90 0.33 0.00 -1.18 0.00 0.00 61.69 59.07 2wrn s THR 114 Cb -0.12 -2.09 0.49 0.00 1.34 0.00 0.00 72.50 72.13 2wrn s THR 114 CO 0.03 -0.40 1.85 0.77 -0.54 0.00 0.00 174.62 176.33 2wrn h SER 115 N 2.82 0.00 -3.10 3.99 4.64 -2.00 -2.64 113.55 117.27 2wrn h SER 115 Ca -0.35 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.29 2wrn h SER 115 Cb 1.21 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.93 2wrn h SER 115 CO 0.58 0.00 -0.18 0.29 -0.87 0.00 0.00 176.83 176.65 2wrn n LYS 116 N -4.16 2.61 -0.53 4.77 5.02 -1.26 -5.06 118.16 119.55 2wrn n LYS 116 Ca 0.20 -4.52 0.07 0.00 -2.02 0.00 0.00 58.31 52.05 2wrn n LYS 116 Cb 1.04 -2.38 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 2wrn n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrn n GLY 117 N 1.97 -0.96 3.49 0.72 0.00 -0.99 -4.62 105.19 104.79 2wrn n GLY 117 Ca 0.23 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 2wrn n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrn s VAL 118 N -0.99 4.93 0.00 1.61 1.01 -1.26 -1.82 120.40 123.88 2wrn s VAL 118 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2wrn s VAL 118 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2wrn s VAL 118 CO 0.00 -0.57 0.00 0.18 0.00 0.00 0.00 175.10 174.71 2wrn n LEU 119 N 6.01 0.00 -4.66 3.92 4.77 -1.17 -4.97 117.00 120.89 2wrn n LEU 119 Ca -0.04 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.64 2wrn n LEU 119 Cb 0.47 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 2wrn n LEU 119 CO 0.51 -0.21 -0.27 0.42 -1.33 0.00 0.00 177.39 176.51 2wrn s THR 120 N 0.41 1.63 -2.00 -5.08 -4.23 -1.26 -3.40 115.64 101.71 2wrn s THR 120 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2wrn s THR 120 Cb 0.00 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.17 2wrn s THR 120 CO 0.00 0.00 0.21 -0.90 -0.54 0.00 0.00 174.62 173.39 2wrn n ASP 121 N -1.08 0.00 0.01 3.99 5.75 -1.16 -1.45 116.55 122.62 2wrn n ASP 121 Ca -0.10 -0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.68 2wrn n ASP 121 Cb 0.67 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.76 2wrn n ASP 121 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wrn n ARG 122 N -0.71 0.01 0.05 0.11 1.74 -1.26 -4.18 116.66 112.41 2wrn n ARG 122 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 2wrn n ARG 122 Cb 0.00 -0.51 0.27 0.00 -1.02 0.00 0.00 32.46 31.21 2wrn n ARG 122 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2wrn n GLU 123 N -3.14 0.05 -0.08 5.56 1.02 -0.86 0.09 120.64 123.29 2wrn n GLU 123 Ca -0.00 0.43 -0.10 0.00 -0.02 0.00 0.00 57.16 57.46 2wrn n GLU 123 Cb 0.37 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 30.08 2wrn n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wrn n ALA 124 N -1.59 1.65 -0.26 0.62 0.00 -0.53 -3.03 120.51 117.37 2wrn n ALA 124 Ca 0.01 -0.76 -0.07 0.00 0.00 0.00 0.00 53.44 52.62 2wrn n ALA 124 Cb 0.10 0.07 0.05 0.00 0.00 0.00 0.00 19.45 19.67 2wrn n ALA 124 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wrn h ARG 125 N 0.00 1.15 -0.01 0.00 2.43 -1.63 0.18 114.38 116.50 2wrn h ARG 125 Ca -0.37 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 58.47 2wrn h ARG 125 Cb 1.65 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 2wrn h ARG 125 CO -0.04 1.00 -0.21 -0.22 -1.51 0.00 0.00 179.97 178.99 2wrn h LYS 126 N 1.10 0.17 0.00 0.20 3.64 -0.55 -3.14 116.57 117.98 2wrn h LYS 126 Ca 0.23 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2wrn h LYS 126 Cb 0.35 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2wrn h LYS 126 CO -0.00 0.87 0.00 1.25 -2.27 0.00 0.00 179.45 179.30 2wrn h LEU 127 N -0.48 0.00 0.90 5.20 7.12 -1.46 -3.46 115.31 123.14 2wrn h LEU 127 Ca -0.02 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.81 2wrn h LEU 127 Cb 0.94 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 2wrn h LEU 127 CO 0.04 0.00 -0.23 0.61 -0.13 0.00 0.00 178.44 178.73 2wrn n GLY 128 N -0.65 0.06 0.92 3.75 0.00 -0.02 -5.03 105.19 104.21 2wrn n GLY 128 Ca -0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.47 2wrn n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wrn n VAL 129 N -3.94 0.00 -4.26 1.61 0.24 -0.75 -4.98 118.33 106.26 2wrn n VAL 129 Ca -0.09 -0.54 -0.16 0.00 -2.04 0.00 0.00 64.34 61.51 2wrn n VAL 129 Cb 0.57 -0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 32.54 2wrn n VAL 129 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wrn s GLY 130 N -2.09 1.93 0.00 7.63 0.00 -1.26 -4.11 107.32 109.41 2wrn s GLY 130 Ca 0.06 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.90 2wrn s GLY 130 CO 0.04 -1.46 0.00 0.61 0.00 0.00 0.00 173.10 172.29 2wrn n GLY 131 N -0.47 -0.94 3.74 0.20 0.00 -1.20 -4.25 105.19 102.28 2wrn n GLY 131 Ca 0.04 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 2wrn n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wrn s GLU 132 N -0.33 4.29 0.49 1.61 2.12 0.31 -2.15 118.70 125.04 2wrn s GLU 132 Ca 0.00 0.53 -0.22 0.00 0.36 0.00 0.00 54.97 55.64 2wrn s GLU 132 Cb 0.00 -3.39 -0.07 0.00 0.26 0.00 0.00 34.13 30.93 2wrn s GLU 132 CO 0.00 0.26 1.16 -1.17 -0.54 0.00 0.00 175.26 174.97 2wrn s LEU 133 N 0.26 3.91 0.00 2.70 2.96 -0.65 -1.08 118.68 126.78 2wrn s LEU 133 Ca 0.27 2.27 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 2wrn s LEU 133 Cb -0.16 -4.36 0.00 0.00 0.50 0.00 0.00 46.19 42.17 2wrn s LEU 133 CO 0.12 -1.05 0.00 -0.38 -1.32 0.00 0.00 176.35 173.73 2wrn n ILE 134 N -0.79 0.00 0.00 6.68 2.08 -0.82 -3.62 119.36 122.89 2wrn n ILE 134 Ca 0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.40 2wrn n ILE 134 Cb 0.49 -0.95 0.00 0.00 -0.75 0.00 0.00 39.64 38.43 2wrn n ILE 134 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wrn s GLU 136 N 0.00 4.45 0.03 0.00 -1.05 -1.25 -2.60 118.70 118.28 2wrn s GLU 136 Ca 0.00 1.80 0.04 0.00 -0.15 0.00 0.00 54.97 56.66 2wrn s GLU 136 Cb 0.00 -3.32 -0.02 0.00 -0.44 0.00 0.00 34.13 30.35 2wrn s GLU 136 CO 0.00 -0.21 -0.13 0.08 0.95 0.00 0.00 175.26 175.96 2wrn s VAL 137 N 0.76 0.98 0.00 1.83 1.01 -0.88 -3.82 120.40 120.29 2wrn s VAL 137 Ca 0.57 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2wrn s VAL 137 Cb -0.30 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.18 2wrn s VAL 137 CO 0.31 0.00 0.00 -2.67 0.00 0.00 0.00 175.10 172.74