#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wey s SER 2 N 0.00 4.43 -0.10 1.61 0.15 -1.26 -5.05 113.70 113.48 1wey s SER 2 Ca 0.00 -3.01 -0.32 0.00 0.70 0.00 0.00 55.95 53.32 1wey s SER 2 Cb 0.00 -1.67 0.12 0.00 -1.71 0.00 0.00 66.02 62.77 1wey s SER 2 CO 0.00 -0.25 1.13 -0.55 1.20 0.00 0.00 173.24 174.77 1wey s SER 3 N -0.18 -0.18 -0.06 5.45 0.15 -1.26 -5.19 113.70 112.43 1wey s SER 3 Ca 0.17 -0.05 -0.18 0.00 0.70 0.00 0.00 55.95 56.60 1wey s SER 3 Cb -0.25 0.23 0.04 0.00 -1.71 0.00 0.00 66.02 64.32 1wey s SER 3 CO -0.00 -0.38 0.41 -0.83 1.20 0.00 0.00 173.24 173.64 1wey s GLY 4 N -2.41 -0.28 -0.54 9.45 0.00 -1.26 -5.12 107.32 107.16 1wey s GLY 4 Ca 0.09 0.74 -0.20 0.00 0.00 0.00 0.00 44.72 45.34 1wey s GLY 4 CO -0.05 0.51 0.73 -0.45 0.00 0.00 0.00 173.10 173.83 1wey s SER 5 N -0.92 6.24 -0.35 1.64 0.15 -1.26 -4.81 113.70 114.38 1wey s SER 5 Ca -0.10 -0.89 0.03 0.00 0.70 0.00 0.00 55.95 55.69 1wey s SER 5 Cb -0.04 -2.33 0.31 0.00 -1.71 0.00 0.00 66.02 62.26 1wey s SER 5 CO 0.04 -1.03 1.32 -1.54 1.20 0.00 0.00 173.24 173.23 1wey n SER 6 N 6.57 -1.42 -4.40 5.45 3.41 -1.26 -4.51 113.62 117.46 1wey n SER 6 Ca -0.05 -2.09 -0.24 0.00 -0.26 0.00 0.00 58.87 56.23 1wey n SER 6 Cb 0.45 1.16 -0.11 0.00 -0.26 0.00 0.00 64.21 65.45 1wey n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wey s GLY 7 N -0.39 1.65 -0.02 5.00 0.00 -1.26 -0.45 107.32 111.86 1wey s GLY 7 Ca 0.22 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1wey s GLY 7 CO -0.16 -1.71 0.00 1.08 0.00 0.00 0.00 173.10 172.31 1wey s LEU 8 N -2.92 1.48 -0.52 0.66 1.43 0.14 -2.51 118.68 116.44 1wey s LEU 8 Ca 0.22 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 53.17 1wey s LEU 8 Cb -0.06 -0.13 0.12 0.00 0.03 0.00 0.00 46.19 46.16 1wey s LEU 8 CO 0.10 -0.06 0.45 -0.63 0.23 0.00 0.00 176.35 176.44 1wey s ILE 9 N 0.60 4.93 -0.35 -0.59 -1.09 0.92 -0.21 121.20 125.42 1wey s ILE 9 Ca -0.05 -1.56 -0.22 0.00 -2.23 0.00 0.00 60.65 56.59 1wey s ILE 9 Cb -0.08 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 1wey s ILE 9 CO -0.01 -0.83 0.71 0.00 -1.23 0.00 0.00 174.94 173.58 1wey s ALA 10 N 1.53 3.46 -0.44 9.38 0.00 0.13 -0.45 121.76 135.38 1wey s ALA 10 Ca 0.04 -0.69 -0.21 0.00 0.00 0.00 0.00 51.96 51.10 1wey s ALA 10 Cb -0.29 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.60 1wey s ALA 10 CO 0.02 -1.35 0.65 0.00 0.00 0.00 0.00 175.76 175.08 1wey s VAL 12 N 2.84 5.23 -0.04 0.00 1.01 -1.26 -1.25 120.40 126.92 1wey s VAL 12 Ca 0.22 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1wey s VAL 12 Cb -0.14 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1wey s VAL 12 CO 0.19 -0.22 0.11 0.00 0.00 0.00 0.00 175.10 175.17 1wey n ALA 13 N -0.87 2.06 -2.37 5.51 0.00 -1.26 -4.90 120.51 118.69 1wey n ALA 13 Ca -0.06 -0.35 -0.40 0.00 0.00 0.00 0.00 53.44 52.63 1wey n ALA 13 Cb 0.55 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 1wey n ALA 13 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wey s ASN 14 N -3.44 5.85 0.58 0.00 0.01 -1.26 -4.84 114.94 111.85 1wey s ASN 14 Ca -0.03 -0.22 0.29 0.00 -0.71 0.00 0.00 52.86 52.18 1wey s ASN 14 Cb 0.04 -2.55 1.45 0.00 0.41 0.00 0.00 41.25 40.60 1wey s ASN 14 CO 0.33 -2.03 1.87 0.44 -1.51 0.00 0.00 177.10 176.20 1wey h ASP 15 N 11.70 0.00 -0.33 -1.22 5.19 -2.00 -0.14 116.42 129.62 1wey h ASP 15 Ca -0.25 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.18 1wey h ASP 15 Cb 1.09 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.57 1wey h ASP 15 CO 1.26 0.00 0.17 -0.78 -3.12 0.00 0.00 179.24 176.78 1wey h ASP 16 N 0.00 0.26 -1.64 6.45 1.82 -2.00 -1.96 116.42 119.35 1wey h ASP 16 Ca 0.27 0.01 0.49 0.00 -0.39 0.00 0.00 57.03 57.41 1wey h ASP 16 Cb 1.35 -0.04 -0.09 0.00 0.68 0.00 0.00 39.33 41.24 1wey h ASP 16 CO -0.00 0.19 1.16 0.58 -1.61 0.00 0.00 179.24 179.56 1wey h VAL 17 N 0.36 0.13 -0.16 2.25 2.07 -1.32 0.42 116.25 119.99 1wey h VAL 17 Ca 0.14 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 1wey h VAL 17 Cb 0.04 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 29.86 1wey h VAL 17 CO -0.09 0.00 0.14 0.49 0.02 0.00 0.00 177.57 178.14 1wey n PHE 18 N -4.18 0.52 -4.34 1.57 3.01 -0.74 -3.82 117.46 109.49 1wey n PHE 18 Ca 0.39 -1.26 -0.19 0.00 1.01 0.00 0.00 57.45 57.39 1wey n PHE 18 Cb 1.70 -0.62 -0.10 0.00 -0.01 0.00 0.00 39.48 40.44 1wey n PHE 18 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1wey s SER 19 N 1.30 2.58 0.22 4.37 0.01 0.15 -5.04 113.70 117.28 1wey s SER 19 Ca 0.10 -0.98 0.23 0.00 1.31 0.00 0.00 55.95 56.62 1wey s SER 19 Cb 0.08 -0.14 0.25 0.00 0.21 0.00 0.00 66.02 66.42 1wey s SER 19 CO 0.00 -0.14 1.31 -0.33 0.41 0.00 0.00 173.24 174.49 1wey h GLU 20 N 2.73 0.00 0.00 12.44 4.39 -1.88 -3.35 114.58 128.91 1wey h GLU 20 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1wey h GLU 20 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1wey h GLU 20 CO 0.59 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.87 1wey n SER 21 N -2.52 0.00 0.00 1.42 7.64 -1.26 -4.84 113.62 114.05 1wey n SER 21 Ca 0.02 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1wey n SER 21 Cb 0.50 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1wey n SER 21 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1wey n GLU 22 N -2.86 0.00 -0.56 1.43 4.07 -1.26 -4.96 120.64 116.50 1wey n GLU 22 Ca 0.00 0.00 0.42 0.00 -0.06 0.00 0.00 57.16 57.52 1wey n GLU 22 Cb 0.00 0.00 0.66 0.00 -0.06 0.00 0.00 31.44 32.04 1wey n GLU 22 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1wey n THR 23 N -0.99 -0.02 -0.03 6.31 -1.04 -1.26 0.18 114.28 117.43 1wey n THR 23 Ca 0.00 1.24 -0.11 0.00 -2.04 0.00 0.00 64.05 63.14 1wey n THR 23 Cb 0.00 -2.06 -0.06 0.00 -1.82 0.00 0.00 70.33 66.39 1wey n THR 23 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1wey h ARG 24 N 0.00 0.19 -0.96 -2.82 2.43 -1.70 -2.83 114.38 108.69 1wey h ARG 24 Ca 0.76 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 60.02 1wey h ARG 24 Cb 3.00 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 32.43 1wey h ARG 24 CO -0.05 0.27 0.59 0.00 -1.51 0.00 0.00 179.97 179.27 1wey h ALA 25 N 0.91 1.45 -0.89 2.80 0.00 0.16 -0.83 119.26 122.86 1wey h ALA 25 Ca 0.04 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1wey h ALA 25 Cb 0.15 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 1wey h ALA 25 CO -0.00 0.16 0.49 0.87 0.00 0.00 0.00 179.25 180.77 1wey h LYS 26 N 0.91 0.69 0.00 0.00 1.57 -1.44 0.32 116.57 118.62 1wey h LYS 26 Ca 0.49 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 1wey h LYS 26 Cb 0.52 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1wey h LYS 26 CO -0.28 0.45 -0.04 0.35 -0.57 0.00 0.00 179.45 179.37 1wey h PHE 27 N 0.71 0.00 0.02 -1.35 3.04 -1.16 -3.24 116.94 114.95 1wey h PHE 27 Ca 0.48 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.43 1wey h PHE 27 Cb 0.64 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.15 1wey h PHE 27 CO -0.06 0.04 -0.01 0.93 -2.02 0.00 0.00 178.31 177.18 1wey h GLU 28 N 0.00 -0.03 -0.61 1.11 5.08 0.26 -3.29 114.58 117.11 1wey h GLU 28 Ca -0.00 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 1wey h GLU 28 Cb 0.92 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1wey h GLU 28 CO 0.00 0.62 0.51 1.03 -1.00 0.00 0.00 179.01 180.18 1wey h SER 29 N -0.97 0.00 -0.95 1.42 0.87 -0.74 0.25 113.55 113.43 1wey h SER 29 Ca -0.00 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 1wey h SER 29 Cb 0.66 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.55 1wey h SER 29 CO 0.00 0.00 0.62 -0.07 -0.53 0.00 0.00 176.83 176.85 1wey h LEU 30 N 0.00 0.96 0.00 2.23 3.38 -1.63 -1.31 115.31 118.94 1wey h LEU 30 Ca 0.29 0.01 -0.44 0.00 0.09 0.00 0.00 57.88 57.83 1wey h LEU 30 Cb 1.31 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1wey h LEU 30 CO -0.00 0.60 -2.43 0.49 0.09 0.00 0.00 178.44 177.19 1wey n PHE 31 N -4.50 0.10 -0.26 1.13 3.01 0.23 -4.50 117.46 112.67 1wey n PHE 31 Ca 0.15 0.04 0.06 0.00 1.01 0.00 0.00 57.45 58.71 1wey n PHE 31 Cb 0.21 -1.01 0.17 0.00 -0.01 0.00 0.00 39.48 38.84 1wey n PHE 31 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1wey h ARG 32 N -0.93 0.13 -1.01 -1.08 1.12 -0.69 0.12 114.38 112.03 1wey h ARG 32 Ca -0.67 -0.01 0.41 0.00 -1.11 0.00 0.00 59.98 58.61 1wey h ARG 32 Cb 1.61 -0.03 -0.17 0.00 -0.01 0.00 0.00 29.97 31.37 1wey h ARG 32 CO -0.39 0.08 0.57 2.41 -3.11 0.00 0.00 179.97 179.53 1wey n THR 33 N -5.31 -0.38 0.00 0.20 -1.04 -0.50 -1.69 114.28 105.56 1wey n THR 33 Ca 0.14 1.92 0.00 0.00 -2.04 0.00 0.00 64.05 64.07 1wey n THR 33 Cb 0.49 -3.12 0.00 0.00 -1.82 0.00 0.00 70.33 65.88 1wey n THR 33 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1wey n TYR 34 N -5.09 0.00 -4.14 -1.42 4.01 0.42 -4.88 117.16 106.06 1wey n TYR 34 Ca 0.37 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.80 1wey n TYR 34 Cb 1.28 -0.44 -0.08 0.00 -0.31 0.00 0.00 39.34 39.79 1wey n TYR 34 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1wey s ASP 35 N -2.41 5.23 0.00 7.72 2.15 -0.68 -5.01 116.67 123.67 1wey s ASP 35 Ca 0.00 -0.08 0.24 0.00 0.43 0.00 0.00 52.55 53.14 1wey s ASP 35 Cb 0.00 -1.33 0.27 0.00 -0.30 0.00 0.00 42.92 41.56 1wey s ASP 35 CO 0.00 0.20 1.25 2.29 -0.17 0.00 0.00 175.17 178.74 1wey n LYS 36 N 0.74 0.44 -0.84 4.34 2.85 -1.26 -4.02 118.16 120.41 1wey n LYS 36 Ca -0.11 -0.32 -0.06 0.00 -1.05 0.00 0.00 58.31 56.77 1wey n LYS 36 Cb 0.52 -1.49 0.21 0.00 -0.65 0.00 0.00 35.03 33.62 1wey n LYS 36 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1wey n ASP 37 N -1.00 3.09 -4.68 -5.58 2.03 -1.26 -4.99 116.55 104.16 1wey n ASP 37 Ca 0.07 -3.59 -0.40 0.00 0.52 0.00 0.00 54.79 51.39 1wey n ASP 37 Cb 0.36 -0.67 -0.05 0.00 -0.72 0.00 0.00 41.12 40.04 1wey n ASP 37 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1wey s THR 38 N -3.18 5.02 -0.20 5.18 -4.23 -1.26 -4.46 115.64 112.52 1wey s THR 38 Ca 0.47 1.30 -0.10 0.00 -1.18 0.00 0.00 61.69 62.18 1wey s THR 38 Cb 0.41 -3.99 -0.05 0.00 1.34 0.00 0.00 72.50 70.22 1wey s THR 38 CO 0.04 0.15 0.13 0.42 -0.54 0.00 0.00 174.62 174.82 1wey s THR 39 N 1.56 5.40 -0.21 3.99 -4.23 -0.20 -4.92 115.64 117.04 1wey s THR 39 Ca 0.32 0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.95 1wey s THR 39 Cb -0.16 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 1wey s THR 39 CO 0.13 0.44 0.04 -0.36 -0.54 0.00 0.00 174.62 174.33 1wey s PHE 40 N 0.33 3.12 -0.30 3.99 0.40 -1.26 -1.02 117.98 123.24 1wey s PHE 40 Ca 0.08 -0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1wey s PHE 40 Cb -0.11 -2.12 0.06 0.00 0.51 0.00 0.00 43.02 41.36 1wey s PHE 40 CO -0.02 -0.13 -0.01 -1.14 0.70 0.00 0.00 175.22 174.63 1wey s GLN 41 N 0.93 2.36 -0.25 0.44 0.74 0.55 -4.93 119.66 119.50 1wey s GLN 41 Ca 0.03 -1.32 -0.15 0.00 0.05 0.00 0.00 55.36 53.97 1wey s GLN 41 Cb -0.14 -3.16 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 1wey s GLN 41 CO 0.02 -0.64 0.39 0.71 -0.55 0.00 0.00 175.29 175.22 1wey s TYR 42 N 1.22 3.28 -0.55 1.67 2.02 -1.26 -0.28 117.35 123.44 1wey s TYR 42 Ca -0.05 0.47 -0.06 0.00 -0.37 0.00 0.00 57.07 57.06 1wey s TYR 42 Cb -0.20 -2.57 0.14 0.00 -0.40 0.00 0.00 41.96 38.93 1wey s TYR 42 CO -0.02 -0.18 0.39 -0.06 -1.57 0.00 0.00 175.55 174.11 1wey s PHE 43 N 1.92 3.49 -0.95 2.71 0.08 -0.14 -4.91 117.98 120.19 1wey s PHE 43 Ca 0.16 -2.28 0.11 0.00 0.12 0.00 0.00 56.93 55.04 1wey s PHE 43 Cb -0.15 -3.38 0.48 0.00 -0.57 0.00 0.00 43.02 39.39 1wey s PHE 43 CO 0.09 -0.94 1.35 1.63 -0.10 0.00 0.00 175.22 177.25 1wey n LYS 44 N 4.27 0.02 0.00 0.44 4.76 -1.26 0.76 118.16 127.15 1wey n LYS 44 Ca 0.01 0.34 0.13 0.00 -2.87 0.00 0.00 58.31 55.92 1wey n LYS 44 Cb 0.41 -1.53 0.37 0.00 -1.84 0.00 0.00 35.03 32.43 1wey n LYS 44 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1wey n SER 45 N -1.56 0.36 -0.47 4.39 7.64 -1.26 -4.13 113.62 118.58 1wey n SER 45 Ca 0.02 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1wey n SER 45 Cb 0.12 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1wey n SER 45 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1wey n PHE 46 N -1.48 0.00 -3.84 1.43 3.72 -0.46 -5.02 117.46 111.81 1wey n PHE 46 Ca 0.06 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.22 1wey n PHE 46 Cb 0.34 0.10 -0.07 0.00 -0.94 0.00 0.00 39.48 38.90 1wey n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1wey n LYS 47 N 0.00 -0.94 -4.42 -1.08 4.01 0.23 -4.90 118.16 111.06 1wey n LYS 47 Ca 0.00 0.07 -0.25 0.00 -0.51 0.00 0.00 58.31 57.62 1wey n LYS 47 Cb 0.59 -2.72 -0.11 0.00 -0.51 0.00 0.00 35.03 32.28 1wey n LYS 47 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1wey s ARG 48 N -6.21 1.53 -0.12 1.97 0.52 -1.04 -4.05 118.95 111.56 1wey s ARG 48 Ca 0.05 -1.58 0.01 0.00 -0.52 0.00 0.00 55.73 53.68 1wey s ARG 48 Cb -0.03 -1.74 0.02 0.00 0.52 0.00 0.00 34.95 33.72 1wey s ARG 48 CO 0.74 0.36 -0.12 0.08 0.02 0.00 0.00 175.30 176.38 1wey s VAL 49 N -2.00 1.33 -0.44 3.52 1.01 -0.60 -0.96 120.40 122.26 1wey s VAL 49 Ca 0.23 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 1wey s VAL 49 Cb -0.07 -1.26 0.09 0.00 0.00 0.00 0.00 36.38 35.14 1wey s VAL 49 CO 0.11 0.41 0.29 -0.60 0.00 0.00 0.00 175.10 175.31 1wey s ARG 50 N 1.35 2.62 -0.43 2.72 3.52 0.61 0.19 118.95 129.53 1wey s ARG 50 Ca -0.00 -1.51 -0.12 0.00 -0.13 0.00 0.00 55.73 53.97 1wey s ARG 50 Cb -0.14 -3.85 0.06 0.00 -1.56 0.00 0.00 34.95 29.47 1wey s ARG 50 CO -0.06 -1.01 0.31 0.42 -0.81 0.00 0.00 175.30 174.14 1wey s ILE 51 N 1.44 4.74 -0.20 4.11 1.09 0.71 -0.33 121.20 132.76 1wey s ILE 51 Ca 0.04 -1.13 -0.11 0.00 -1.10 0.00 0.00 60.65 58.34 1wey s ILE 51 Cb -0.24 -3.81 -0.05 0.00 -1.06 0.00 0.00 42.46 37.30 1wey s ILE 51 CO 0.02 -0.48 0.18 0.20 -0.10 0.00 0.00 174.94 174.77 1wey s ASN 52 N 2.18 6.25 0.50 3.58 0.01 -0.19 -0.68 114.94 126.60 1wey s ASN 52 Ca 0.03 0.29 0.07 0.00 -0.71 0.00 0.00 52.86 52.54 1wey s ASN 52 Cb -0.23 -2.12 0.07 0.00 0.41 0.00 0.00 41.25 39.39 1wey s ASN 52 CO 0.05 0.13 0.62 0.49 -1.51 0.00 0.00 177.10 176.88 1wey n PHE 53 N 3.70 -1.96 0.11 2.20 3.01 0.41 -1.04 117.46 123.88 1wey n PHE 53 Ca -0.15 -1.90 0.11 0.00 1.01 0.00 0.00 57.45 56.53 1wey n PHE 53 Cb 0.52 -0.46 -0.15 0.00 -0.01 0.00 0.00 39.48 39.38 1wey n PHE 53 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wey n SER 54 N -2.28 0.16 -3.96 4.37 2.88 -1.26 -4.76 113.62 108.77 1wey n SER 54 Ca 0.10 -0.08 -0.13 0.00 -1.33 0.00 0.00 58.87 57.43 1wey n SER 54 Cb 0.53 1.78 -0.13 0.00 -0.75 0.00 0.00 64.21 65.64 1wey n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wey s ASN 55 N -4.41 0.43 0.00 -3.46 2.20 -1.26 -5.02 114.94 103.42 1wey s ASN 55 Ca -0.06 -0.23 0.16 0.00 -0.94 0.00 0.00 52.86 51.78 1wey s ASN 55 Cb 0.14 0.00 0.92 0.00 -2.00 0.00 0.00 41.25 40.31 1wey s ASN 55 CO 0.90 -0.07 1.34 -0.81 -2.94 0.00 0.00 177.10 175.52 1wey n PRO 56 N 2.44 0.47 -0.01 3.55 -0.04 -1.26 -3.60 135.00 136.55 1wey n PRO 56 Ca -0.17 0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1wey n PRO 56 Cb 0.57 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1wey n PRO 56 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1wey h LEU 57 N 0.00 0.00 -0.61 1.53 3.38 -1.95 -3.37 115.31 114.29 1wey h LEU 57 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1wey h LEU 57 Cb 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.64 1wey h LEU 57 CO 0.00 0.10 -0.16 -1.28 0.09 0.00 0.00 178.44 177.20 1wey h SER 58 N -0.20 -0.58 -0.87 -0.43 0.87 -2.01 0.36 113.55 110.70 1wey h SER 58 Ca 0.00 0.18 0.34 0.00 -1.23 0.00 0.00 61.79 61.08 1wey h SER 58 Cb 0.01 0.38 -0.13 0.00 -0.44 0.00 0.00 62.40 62.22 1wey h SER 58 CO 0.00 -0.20 0.50 0.00 -0.53 0.00 0.00 176.83 176.60 1wey n ALA 59 N -3.03 0.88 0.16 6.23 0.00 -1.24 -0.23 120.51 123.27 1wey n ALA 59 Ca 0.07 0.74 -0.07 0.00 0.00 0.00 0.00 53.44 54.18 1wey n ALA 59 Cb 0.32 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 1wey n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wey h ALA 60 N 1.43 -0.58 -1.29 0.00 0.00 -1.07 -3.17 119.26 114.58 1wey h ALA 60 Ca 0.66 -0.10 0.38 0.00 0.00 0.00 0.00 54.91 55.85 1wey h ALA 60 Cb 1.88 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.77 1wey h ALA 60 CO -0.51 -0.54 0.89 -0.44 0.00 0.00 0.00 179.25 178.65 1wey h ASP 61 N -0.86 0.15 -0.35 0.00 5.19 -0.61 0.86 116.42 120.80 1wey h ASP 61 Ca -0.05 0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1wey h ASP 61 Cb 0.35 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1wey h ASP 61 CO 0.08 -0.01 0.06 0.00 -3.12 0.00 0.00 179.24 176.25 1wey h ALA 62 N 1.43 1.30 0.04 3.45 0.00 -1.01 -0.60 119.26 123.88 1wey h ALA 62 Ca 0.67 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1wey h ALA 62 Cb 2.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.98 1wey h ALA 62 CO -0.15 0.48 -0.02 -0.09 0.00 0.00 0.00 179.25 179.48 1wey h ARG 63 N 0.64 -0.06 -0.36 0.00 2.43 0.79 -1.70 114.38 116.13 1wey h ARG 63 Ca 0.14 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1wey h ARG 63 Cb 0.31 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1wey h ARG 63 CO 0.00 0.39 0.12 1.37 -1.51 0.00 0.00 179.97 180.34 1wey h LEU 64 N -0.52 0.46 -0.25 3.80 8.10 -1.39 -0.53 115.31 124.98 1wey h LEU 64 Ca -0.01 -0.05 0.00 0.00 0.11 0.00 0.00 57.88 57.93 1wey h LEU 64 Cb 0.47 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.57 1wey h LEU 64 CO 0.01 0.45 -0.04 0.54 -4.11 0.00 0.00 178.44 175.29 1wey n ARG 65 N -4.37 0.95 0.00 0.17 1.74 -0.24 -4.89 116.66 110.03 1wey n ARG 65 Ca 0.02 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 1wey n ARG 65 Cb 0.16 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1wey n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wey n LEU 66 N -0.80 0.00 0.00 0.55 4.77 -0.21 -5.01 117.00 116.30 1wey n LEU 66 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1wey n LEU 66 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1wey n LEU 66 CO 0.20 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.83 1wey n HIS 67 N 0.00 0.00 -0.56 -1.77 -0.00 -1.24 -3.94 115.22 107.72 1wey n HIS 67 Ca 0.00 0.00 0.42 0.00 0.46 0.00 0.00 57.72 58.60 1wey n HIS 67 Cb 0.00 0.00 0.65 0.00 -0.12 0.00 0.00 29.99 30.52 1wey n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1wey n LYS 68 N 5.93 0.00 -0.96 1.57 5.02 -0.63 -3.44 118.16 125.64 1wey n LYS 68 Ca 0.00 0.88 -0.38 0.00 -2.02 0.00 0.00 58.31 56.79 1wey n LYS 68 Cb 0.00 -2.03 -0.05 0.00 -0.02 0.00 0.00 35.03 32.93 1wey n LYS 68 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wey n THR 69 N -3.52 0.00 -1.92 -0.18 -2.24 -1.25 -4.12 114.28 101.06 1wey n THR 69 Ca 0.35 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.90 1wey n THR 69 Cb 1.62 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 69.71 1wey n THR 69 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1wey s GLU 70 N 0.49 2.26 -0.54 -0.78 2.02 -1.26 -3.57 118.70 117.32 1wey s GLU 70 Ca 0.58 -0.19 -0.28 0.00 0.02 0.00 0.00 54.97 55.11 1wey s GLU 70 Cb -0.82 -5.01 0.01 0.00 0.10 0.00 0.00 34.13 28.41 1wey s GLU 70 CO 0.39 -3.79 1.45 0.12 0.02 0.00 0.00 175.26 173.45 1wey s PHE 71 N 11.62 2.25 -1.82 1.61 5.36 0.35 -3.38 117.98 133.96 1wey s PHE 71 Ca 0.76 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.24 1wey s PHE 71 Cb -0.08 -4.36 0.00 0.00 -0.34 0.00 0.00 43.02 38.24 1wey s PHE 71 CO 0.03 -2.03 0.00 1.28 -1.46 0.00 0.00 175.22 173.05 1wey n LEU 72 N 9.69 -1.54 0.00 6.12 4.32 -1.26 -0.61 117.00 133.72 1wey n LEU 72 Ca 0.13 0.27 0.00 0.00 -0.02 0.00 0.00 56.01 56.40 1wey n LEU 72 Cb 0.49 -2.68 0.00 0.00 -1.62 0.00 0.00 43.42 39.61 1wey n LEU 72 CO 0.71 -0.63 0.00 0.61 -1.22 0.00 0.00 177.39 176.86 1wey n GLY 73 N -0.63 3.26 3.83 -0.72 0.00 -1.22 -5.06 105.19 104.66 1wey n GLY 73 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1wey n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wey s LYS 74 N -0.83 3.39 -0.21 1.61 -0.14 0.22 -4.97 119.74 118.81 1wey s LYS 74 Ca 0.00 -0.19 -0.26 0.00 -1.36 0.00 0.00 55.97 54.16 1wey s LYS 74 Cb 0.00 -3.12 -0.01 0.00 -1.68 0.00 0.00 37.83 33.02 1wey s LYS 74 CO 0.00 0.73 0.87 -2.00 -0.76 0.00 0.00 175.35 174.19 1wey s GLU 75 N -0.91 4.24 -0.07 1.68 2.12 -1.26 0.13 118.70 124.63 1wey s GLU 75 Ca 0.14 1.05 -0.03 0.00 0.36 0.00 0.00 54.97 56.49 1wey s GLU 75 Cb -0.12 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 1wey s GLU 75 CO 0.03 -0.47 0.06 1.41 -0.54 0.00 0.00 175.26 175.76 1wey s MET 76 N 2.64 3.12 0.37 4.30 -2.45 -1.22 -4.59 119.30 121.46 1wey s MET 76 Ca 0.38 -0.36 0.08 0.00 -1.25 0.00 0.00 55.69 54.53 1wey s MET 76 Cb -0.16 -2.91 -0.02 0.00 1.25 0.00 0.00 34.83 32.99 1wey s MET 76 CO 0.09 0.70 0.34 0.15 1.05 0.00 0.00 175.02 177.35 1wey s LYS 77 N -1.21 2.67 -0.13 4.11 1.02 -0.38 -1.60 119.74 124.21 1wey s LYS 77 Ca 0.17 -1.37 -0.08 0.00 0.02 0.00 0.00 55.97 54.71 1wey s LYS 77 Cb -0.12 -2.46 0.05 0.00 -0.52 0.00 0.00 37.83 34.78 1wey s LYS 77 CO 0.07 -0.02 0.31 -0.51 -0.92 0.00 0.00 175.35 174.28 1wey s LEU 78 N -4.06 0.37 -0.07 3.17 1.43 -1.26 0.04 118.68 118.31 1wey s LEU 78 Ca 0.44 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 1wey s LEU 78 Cb -0.05 1.01 0.02 0.00 0.03 0.00 0.00 46.19 47.20 1wey s LEU 78 CO 0.27 -0.16 -0.08 -0.31 0.23 0.00 0.00 176.35 176.30 1wey s TYR 79 N 0.99 1.19 -0.45 0.29 2.02 0.41 -4.93 117.35 116.88 1wey s TYR 79 Ca -0.07 -0.45 -0.26 0.00 -0.37 0.00 0.00 57.07 55.92 1wey s TYR 79 Cb -0.07 -0.95 -0.07 0.00 -0.40 0.00 0.00 41.96 40.47 1wey s TYR 79 CO -0.07 -0.29 2.39 1.19 -1.57 0.00 0.00 175.55 177.20 1wey n PHE 80 N 4.14 1.51 -1.48 2.71 3.01 -1.26 -0.05 117.46 126.03 1wey n PHE 80 Ca -0.21 0.08 -0.45 0.00 1.01 0.00 0.00 57.45 57.88 1wey n PHE 80 Cb 0.51 -2.65 -0.08 0.00 -0.01 0.00 0.00 39.48 37.25 1wey n PHE 80 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wey n ALA 81 N 15.34 0.87 0.01 4.37 0.00 -1.05 -4.83 120.51 135.22 1wey n ALA 81 Ca 0.36 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 1wey n ALA 81 Cb 0.53 -2.66 -0.07 0.00 0.00 0.00 0.00 19.45 17.26 1wey n ALA 81 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1wey h GLN 82 N 14.05 -0.12 -1.47 0.00 4.20 -1.89 -3.42 115.11 126.46 1wey h GLN 82 Ca -0.22 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.60 1wey h GLN 82 Cb 1.31 0.03 -0.26 0.00 0.30 0.00 0.00 27.48 28.86 1wey h GLN 82 CO 1.12 0.31 0.59 -0.08 -0.67 0.00 0.00 178.83 180.11 1wey s THR 83 N -2.65 0.00 0.75 -0.54 -1.32 -1.26 -5.10 115.64 105.52 1wey s THR 83 Ca -0.11 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.25 1wey s THR 83 Cb -0.00 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 1wey s THR 83 CO 0.39 0.00 1.13 -1.48 -2.21 0.00 0.00 174.62 172.45 1wey s LEU 84 N -0.51 3.17 0.03 9.08 2.34 -1.26 -4.98 118.68 126.55 1wey s LEU 84 Ca 0.02 2.04 0.00 0.00 0.06 0.00 0.00 54.13 56.25 1wey s LEU 84 Cb -0.03 -4.55 0.00 0.00 -0.56 0.00 0.00 46.19 41.05 1wey s LEU 84 CO -0.04 -2.14 0.00 1.57 -1.06 0.00 0.00 176.35 174.69 1wey n HIS 85 N -3.15 -0.22 -1.65 3.48 -0.00 -1.26 -5.16 115.22 107.26 1wey n HIS 85 Ca 0.11 0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.33 1wey n HIS 85 Cb 0.52 0.43 0.00 0.00 -0.12 0.00 0.00 29.99 30.82 1wey n HIS 85 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1wey n ILE 86 N -2.67 -5.49 -0.06 3.57 5.41 -1.26 -4.96 119.36 113.90 1wey n ILE 86 Ca 0.00 2.49 0.00 0.00 1.00 0.00 0.00 62.75 66.24 1wey n ILE 86 Cb 0.07 -3.42 0.00 0.00 -0.71 0.00 0.00 39.64 35.58 1wey n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wey n GLY 87 N -0.79 -3.48 2.02 7.39 0.00 -1.26 -5.03 105.19 104.04 1wey n GLY 87 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1wey n GLY 87 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wey n SER 88 N -2.51 -0.32 -4.54 1.61 7.64 -1.26 -5.05 113.62 109.20 1wey n SER 88 Ca 0.00 0.08 -0.31 0.00 1.01 0.00 0.00 58.87 59.65 1wey n SER 88 Cb 0.00 0.62 -0.09 0.00 -1.01 0.00 0.00 64.21 63.73 1wey n SER 88 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wey n SER 89 N -2.60 1.37 -3.49 6.43 3.41 -1.26 -4.79 113.62 112.68 1wey n SER 89 Ca 0.00 -0.58 -0.05 0.00 -0.26 0.00 0.00 58.87 57.99 1wey n SER 89 Cb 0.00 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 62.60 1wey n SER 89 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1wey s HIS 90 N 10.85 -0.03 0.44 7.33 -0.00 -1.26 -5.15 115.29 127.48 1wey s HIS 90 Ca 1.09 -0.39 -0.17 0.00 -0.00 0.00 0.00 55.06 55.59 1wey s HIS 90 Cb -0.47 0.70 -0.14 0.00 -0.00 0.00 0.00 32.58 32.67 1wey s HIS 90 CO 0.30 -1.03 -0.07 1.28 -0.00 0.00 0.00 174.74 175.22 1wey n LEU 91 N -0.56 -3.19 -4.67 5.38 4.32 -1.26 -4.79 117.00 112.23 1wey n LEU 91 Ca -0.05 0.63 -0.41 0.00 -0.02 0.00 0.00 56.01 56.16 1wey n LEU 91 Cb 0.60 -0.78 0.02 0.00 -1.62 0.00 0.00 43.42 41.63 1wey n LEU 91 CO 0.18 -4.26 0.79 0.00 -1.22 0.00 0.00 177.39 172.88 1wey n ALA 92 N -1.28 0.95 -1.22 -1.18 0.00 -1.26 -4.97 120.51 111.55 1wey n ALA 92 Ca 0.08 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 1wey n ALA 92 Cb 0.42 -2.21 0.12 0.00 0.00 0.00 0.00 19.45 17.77 1wey n ALA 92 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wey s PRO 93 N -2.22 1.62 1.19 0.00 0.04 -1.26 -5.05 135.00 129.32 1wey s PRO 93 Ca 0.63 0.95 -0.20 0.00 0.04 0.00 0.00 61.00 62.42 1wey s PRO 93 Cb -0.51 -1.84 0.30 0.00 0.04 0.00 0.00 34.50 32.48 1wey s PRO 93 CO 0.57 -2.03 1.06 -0.35 0.04 0.00 0.00 177.00 176.29 1wey n PRO 94 N -3.75 -3.09 -2.93 0.56 -0.04 -1.26 -5.02 135.00 119.46 1wey n PRO 94 Ca 0.08 -1.70 -0.34 0.00 -0.04 0.00 0.00 63.50 61.50 1wey n PRO 94 Cb 0.54 -1.59 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 1wey n PRO 94 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wey s ASN 95 N -4.36 7.01 1.11 3.54 0.01 -1.26 -5.07 114.94 115.91 1wey s ASN 95 Ca 0.69 1.59 -0.09 0.00 -0.71 0.00 0.00 52.86 54.34 1wey s ASN 95 Cb -0.07 -2.49 0.13 0.00 0.41 0.00 0.00 41.25 39.23 1wey s ASN 95 CO 0.53 -0.20 0.47 -0.81 -1.51 0.00 0.00 177.10 175.58 1wey n PRO 96 N -0.09 -1.93 0.17 -0.60 -0.04 -1.26 -5.04 135.00 126.22 1wey n PRO 96 Ca 0.04 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1wey n PRO 96 Cb 0.52 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 1wey n PRO 96 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wey n ASP 97 N -3.80 -2.90 -4.73 3.54 8.00 -1.26 -5.14 116.55 110.26 1wey n ASP 97 Ca 0.06 0.66 -0.25 0.00 0.71 0.00 0.00 54.79 55.98 1wey n ASP 97 Cb 0.25 2.82 -0.06 0.00 -0.02 0.00 0.00 41.12 44.10 1wey n ASP 97 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1wey s LYS 98 N -1.73 2.62 0.00 -1.24 2.36 -1.26 -5.11 119.74 115.38 1wey s LYS 98 Ca 0.00 -1.10 0.00 0.00 -2.55 0.00 0.00 55.97 52.32 1wey s LYS 98 Cb 0.00 -2.43 0.00 0.00 -1.05 0.00 0.00 37.83 34.35 1wey s LYS 98 CO 0.00 0.43 0.00 0.45 1.55 0.00 0.00 175.35 177.78 1wey n SER 99 N -0.59 0.00 -3.59 1.43 2.88 -1.26 -5.18 113.62 107.31 1wey n SER 99 Ca -0.08 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.30 1wey n SER 99 Cb 0.56 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.96 1wey n SER 99 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wey s GLY 100 N 0.00 -0.54 1.14 0.46 0.00 -1.26 -5.18 107.32 101.94 1wey s GLY 100 Ca 0.00 1.70 -0.19 0.00 0.00 0.00 0.00 44.72 46.23 1wey s GLY 100 CO 0.00 1.39 1.01 -1.55 0.00 0.00 0.00 173.10 173.95 1wey n PRO 101 N 1.97 -3.00 -3.68 2.90 -0.04 -1.26 -5.10 135.00 126.80 1wey n PRO 101 Ca -0.16 -1.61 -0.13 0.00 -0.04 0.00 0.00 63.50 61.56 1wey n PRO 101 Cb 0.56 -1.51 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 1wey n PRO 101 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wey s SER 102 N -4.22 -0.62 0.02 3.54 0.01 -1.26 -5.17 113.70 105.99 1wey s SER 102 Ca 0.66 1.17 -0.11 0.00 1.31 0.00 0.00 55.95 58.97 1wey s SER 102 Cb -0.06 1.16 0.01 0.00 0.21 0.00 0.00 66.02 67.34 1wey s SER 102 CO 0.50 -0.20 0.23 -0.94 0.41 0.00 0.00 173.24 173.24 1wey s SER 103 N 0.51 -0.06 0.00 2.44 1.04 -1.26 -5.38 113.70 111.00 1wey s SER 103 Ca -0.02 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1wey s SER 103 Cb -0.04 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1wey s SER 103 CO -0.02 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.32