#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 6.68 -1.06 1.61 0.01 -1.26 -4.94 113.70 114.74 1wey s SER 2 Ca 0.00 2.41 -0.16 0.00 1.31 0.00 0.00 55.95 59.51 1wey s SER 2 Cb 0.00 -2.57 0.16 0.00 0.21 0.00 0.00 66.02 63.82 1wey s SER 2 CO 0.00 -0.82 1.25 -0.55 0.41 0.00 0.00 173.24 173.53 1wey s SER 3 N 1.96 6.87 0.17 2.44 0.15 -1.26 -4.58 113.70 119.46 1wey s SER 3 Ca 0.70 -2.59 0.00 0.00 0.70 0.00 0.00 55.95 54.76 1wey s SER 3 Cb -0.38 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1wey s SER 3 CO 0.31 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1wey n GLY 4 N 4.65 -0.25 2.92 9.45 0.00 -1.26 -5.12 105.19 115.58 1wey n GLY 4 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.30 1wey n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wey n SER 5 N -3.13 -5.91 0.00 1.61 2.88 -1.26 -4.75 113.62 103.05 1wey n SER 5 Ca 0.00 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1wey n SER 5 Cb 0.00 -3.34 0.00 0.00 -0.75 0.00 0.00 64.21 60.12 1wey n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wey n SER 6 N 1.51 0.00 -4.75 -3.46 3.41 -1.26 -4.37 113.62 104.71 1wey n SER 6 Ca -0.09 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.21 1wey n SER 6 Cb 0.29 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.00 1.99 -0.06 5.00 0.00 -1.26 -1.21 107.32 111.78 1wey s GLY 7 Ca 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.70 1wey s GLY 7 CO 0.00 -1.01 -0.09 1.08 0.00 0.00 0.00 173.10 173.08 1wey s LEU 8 N -2.31 1.54 -0.63 0.66 1.43 0.19 -3.76 118.68 115.79 1wey s LEU 8 Ca 0.28 -0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 52.99 1wey s LEU 8 Cb -0.12 -0.68 0.15 0.00 0.03 0.00 0.00 46.19 45.57 1wey s LEU 8 CO 0.20 0.00 0.61 -0.63 0.23 0.00 0.00 176.35 176.77 1wey s ILE 9 N 0.73 5.27 -0.07 -0.59 -1.09 0.59 -0.31 121.20 125.73 1wey s ILE 9 Ca -0.13 -1.72 -0.22 0.00 -2.23 0.00 0.00 60.65 56.35 1wey s ILE 9 Cb -0.15 -4.40 -0.04 0.00 -1.58 0.00 0.00 42.46 36.29 1wey s ILE 9 CO 0.02 -0.96 0.65 0.00 -1.23 0.00 0.00 174.94 173.43 1wey s ALA 10 N 1.34 3.37 -0.26 9.38 0.00 0.66 -0.25 121.76 136.00 1wey s ALA 10 Ca 0.09 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 1wey s ALA 10 Cb -0.23 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.02 1wey s ALA 10 CO -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 175.76 175.68 1wey s VAL 12 N 1.40 3.97 -0.33 0.00 1.01 -1.26 -1.18 120.40 124.01 1wey s VAL 12 Ca 0.02 -1.50 0.18 0.00 0.00 0.00 0.00 61.98 60.68 1wey s VAL 12 Cb -0.17 -3.08 -0.25 0.00 0.00 0.00 0.00 36.38 32.89 1wey s VAL 12 CO -0.02 -0.25 0.53 0.00 0.00 0.00 0.00 175.10 175.36 1wey n ALA 13 N -0.66 3.29 -2.83 5.51 0.00 -1.26 -4.85 120.51 119.72 1wey n ALA 13 Ca -0.08 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 1wey n ALA 13 Cb 0.57 -0.63 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 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 -3.56 6.18 0.63 0.00 0.01 -1.26 -4.87 114.94 112.07 1wey s ASN 14 Ca -0.02 -0.96 0.32 0.00 -0.71 0.00 0.00 52.86 51.50 1wey s ASN 14 Cb 0.12 -2.43 1.77 0.00 0.41 0.00 0.00 41.25 41.12 1wey s ASN 14 CO 0.75 -1.48 1.99 -2.24 -1.51 0.00 0.00 177.10 174.61 1wey h ASP 15 N 9.60 0.00 0.39 -1.22 3.04 -2.01 0.16 116.42 126.38 1wey h ASP 15 Ca -0.28 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.45 1wey h ASP 15 Cb 1.07 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.35 1wey h ASP 15 CO 1.19 0.00 -0.31 0.44 -2.04 0.00 0.00 179.24 178.52 1wey h ASP 16 N 0.00 0.00 0.01 4.15 3.32 -1.97 -2.34 116.42 119.60 1wey h ASP 16 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wey h ASP 16 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1wey h ASP 16 CO 0.00 0.31 0.00 0.58 -1.72 0.00 0.00 179.24 178.41 1wey h VAL 17 N 0.00 0.00 0.00 -1.35 2.07 -1.00 -0.46 116.25 115.51 1wey h VAL 17 Ca -0.00 -0.01 -0.27 0.00 0.82 0.00 0.00 66.70 67.24 1wey h VAL 17 Cb 0.59 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1wey h VAL 17 CO 0.04 0.00 -1.61 -0.26 0.02 0.00 0.00 177.57 175.77 1wey h PHE 18 N 0.00 0.00 -4.02 1.57 -1.00 -1.59 -3.34 116.94 108.56 1wey h PHE 18 Ca 0.00 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.22 1wey h PHE 18 Cb 0.01 0.00 0.17 0.00 3.61 0.00 0.00 35.95 39.73 1wey h PHE 18 CO 0.00 0.96 0.38 0.45 -1.61 0.00 0.00 178.31 178.49 1wey n SER 19 N -3.06 1.50 -0.13 2.17 2.88 -0.18 -4.90 113.62 111.89 1wey n SER 19 Ca -0.14 0.75 0.14 0.00 -1.33 0.00 0.00 58.87 58.29 1wey n SER 19 Cb 1.02 -1.51 0.61 0.00 -0.75 0.00 0.00 64.21 63.58 1wey n SER 19 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wey n GLU 20 N -2.09 0.73 0.00 -1.46 1.02 -1.26 -4.12 120.64 113.46 1wey n GLU 20 Ca 0.15 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1wey n GLU 20 Cb 0.49 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1wey n GLU 20 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1wey n SER 21 N -0.91 0.00 0.00 1.62 3.41 -1.26 -4.86 113.62 111.62 1wey n SER 21 Ca 0.15 0.88 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 1wey n SER 21 Cb 0.28 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1wey n SER 21 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1wey n GLU 22 N -2.42 0.00 -0.48 4.33 2.13 -1.26 -4.96 120.64 117.98 1wey n GLU 22 Ca 0.00 0.00 0.40 0.00 0.66 0.00 0.00 57.16 58.22 1wey n GLU 22 Cb 0.00 0.00 0.66 0.00 0.27 0.00 0.00 31.44 32.37 1wey n GLU 22 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1wey n THR 23 N -0.81 -0.20 -0.15 6.31 -1.04 -1.26 0.11 114.28 117.24 1wey n THR 23 Ca 0.00 1.65 -0.03 0.00 -2.04 0.00 0.00 64.05 63.63 1wey n THR 23 Cb 0.00 -2.71 0.06 0.00 -1.82 0.00 0.00 70.33 65.86 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 0.24 -0.69 -2.82 2.43 -1.72 -1.89 114.38 109.94 1wey h ARG 24 Ca 0.84 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 60.14 1wey h ARG 24 Cb 2.82 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 32.22 1wey h ARG 24 CO -0.37 0.16 0.15 0.00 -1.51 0.00 0.00 179.97 178.40 1wey h ALA 25 N 1.35 0.85 -0.35 2.80 0.00 0.48 0.47 119.26 124.86 1wey h ALA 25 Ca 0.23 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.40 1wey h ALA 25 Cb 0.29 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1wey h ALA 25 CO -0.29 -0.33 0.38 0.87 0.00 0.00 0.00 179.25 179.87 1wey h LYS 26 N 0.25 0.00 0.12 0.00 1.57 -1.39 0.41 116.57 117.53 1wey h LYS 26 Ca 0.38 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.80 1wey h LYS 26 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1wey h LYS 26 CO -0.48 0.00 -1.95 0.35 -0.57 0.00 0.00 179.45 176.80 1wey h PHE 27 N 0.00 0.47 0.32 -1.35 3.04 -0.12 -3.36 116.94 115.93 1wey h PHE 27 Ca 0.17 -0.34 -0.02 0.00 3.98 0.00 0.00 57.97 61.76 1wey h PHE 27 Cb 0.92 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.41 1wey h PHE 27 CO 0.00 1.71 -0.15 0.93 -2.02 0.00 0.00 178.31 178.78 1wey h GLU 28 N 0.07 -0.42 -0.89 1.11 5.08 0.45 -3.26 114.58 116.73 1wey h GLU 28 Ca -0.40 0.03 0.35 0.00 -1.00 0.00 0.00 59.36 58.33 1wey h GLU 28 Cb 2.04 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 31.25 1wey h GLU 28 CO 0.10 -0.28 0.51 -1.13 -1.00 0.00 0.00 179.01 177.21 1wey n SER 29 N -4.52 0.25 0.08 1.42 3.41 0.13 -0.07 113.62 114.31 1wey n SER 29 Ca -0.05 1.27 -0.12 0.00 -0.26 0.00 0.00 58.87 59.71 1wey n SER 29 Cb 0.17 -0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 63.43 1wey n SER 29 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1wey h LEU 30 N 0.00 -1.15 0.31 1.04 3.38 -1.71 0.81 115.31 117.99 1wey h LEU 30 Ca 0.69 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.76 1wey h LEU 30 Cb 1.94 0.42 0.00 0.00 0.09 0.00 0.00 40.66 43.11 1wey h LEU 30 CO -0.55 -0.40 -0.15 -0.26 0.09 0.00 0.00 178.44 177.17 1wey h PHE 31 N -0.54 -0.38 -0.99 1.13 -1.00 -0.60 -3.18 116.94 111.38 1wey h PHE 31 Ca -0.00 -0.01 0.33 0.00 2.81 0.00 0.00 57.97 61.10 1wey h PHE 31 Cb 0.54 0.13 -0.18 0.00 3.61 0.00 0.00 35.95 40.05 1wey h PHE 31 CO -0.41 -0.04 0.30 -0.09 -1.61 0.00 0.00 178.31 176.46 1wey h ARG 32 N -0.83 0.04 -0.99 1.51 1.12 -1.11 0.43 114.38 114.55 1wey h ARG 32 Ca -0.04 -0.00 0.35 0.00 -1.11 0.00 0.00 59.98 59.17 1wey h ARG 32 Cb 0.52 -0.01 -0.18 0.00 -0.01 0.00 0.00 29.97 30.29 1wey h ARG 32 CO 0.07 0.03 0.32 1.15 -3.11 0.00 0.00 179.97 178.43 1wey h THR 33 N 0.04 0.04 0.00 0.20 2.02 -0.81 -2.31 112.91 112.10 1wey h THR 33 Ca 0.71 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.88 1wey h THR 33 Cb 1.68 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1wey h THR 33 CO -0.82 0.01 0.00 -1.22 0.37 0.00 0.00 175.52 173.86 1wey n TYR 34 N -5.34 0.00 -4.29 3.16 4.01 0.15 -4.85 117.16 110.00 1wey n TYR 34 Ca 0.31 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.71 1wey n TYR 34 Cb 1.03 -0.48 -0.09 0.00 -0.31 0.00 0.00 39.34 39.49 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 -2.52 5.29 0.00 7.72 2.15 -0.87 -5.00 116.67 123.45 1wey s ASP 35 Ca 0.00 0.10 0.27 0.00 0.43 0.00 0.00 52.55 53.35 1wey s ASP 35 Cb 0.00 -1.47 0.77 0.00 -0.30 0.00 0.00 42.92 41.92 1wey s ASP 35 CO 0.00 0.33 1.58 2.29 -0.17 0.00 0.00 175.17 179.20 1wey n LYS 36 N 1.75 1.62 -0.29 4.34 2.85 -1.25 -3.82 118.16 123.36 1wey n LYS 36 Ca -0.16 -1.07 0.09 0.00 -1.05 0.00 0.00 58.31 56.11 1wey n LYS 36 Cb 0.53 -1.48 0.20 0.00 -0.65 0.00 0.00 35.03 33.64 1wey n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1wey n ASP 37 N 0.24 3.25 -4.66 -5.58 9.92 -1.26 -5.00 116.55 113.46 1wey n ASP 37 Ca 0.16 -2.94 -0.43 0.00 -0.53 0.00 0.00 54.79 51.05 1wey n ASP 37 Cb 0.41 -0.47 -0.02 0.00 -0.64 0.00 0.00 41.12 40.40 1wey n ASP 37 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1wey s THR 38 N -2.67 4.71 -0.05 -3.53 -4.23 -1.25 -4.61 115.64 104.02 1wey s THR 38 Ca 0.36 2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 62.75 1wey s THR 38 Cb 0.29 -4.30 -0.05 0.00 1.34 0.00 0.00 72.50 69.79 1wey s THR 38 CO 0.07 -0.15 0.31 0.42 -0.54 0.00 0.00 174.62 174.73 1wey s THR 39 N 3.01 5.21 -0.05 3.99 -4.23 0.27 -4.91 115.64 118.93 1wey s THR 39 Ca 0.44 0.60 0.05 0.00 -1.18 0.00 0.00 61.69 61.60 1wey s THR 39 Cb -0.15 -3.60 -0.02 0.00 1.34 0.00 0.00 72.50 70.06 1wey s THR 39 CO 0.08 0.58 -0.18 -0.36 -0.54 0.00 0.00 174.62 174.20 1wey s PHE 40 N -0.97 2.59 -0.24 3.99 0.40 -1.26 -0.11 117.98 122.38 1wey s PHE 40 Ca 0.20 -0.29 -0.02 0.00 -0.60 0.00 0.00 56.93 56.22 1wey s PHE 40 Cb -0.15 -1.60 0.07 0.00 0.51 0.00 0.00 43.02 41.85 1wey s PHE 40 CO 0.10 0.08 0.05 -1.14 0.70 0.00 0.00 175.22 175.01 1wey s GLN 41 N -0.62 0.70 -0.01 0.44 0.74 0.13 -4.97 119.66 116.07 1wey s GLN 41 Ca 0.09 -0.64 -0.19 0.00 0.05 0.00 0.00 55.36 54.66 1wey s GLN 41 Cb -0.11 -2.04 -0.05 0.00 1.10 0.00 0.00 33.01 31.91 1wey s GLN 41 CO 0.00 -0.76 0.55 0.71 -0.55 0.00 0.00 175.29 175.25 1wey s TYR 42 N 1.78 3.68 -0.39 1.67 1.51 -1.26 -0.48 117.35 123.86 1wey s TYR 42 Ca 0.02 1.14 -0.01 0.00 -1.01 0.00 0.00 57.07 57.21 1wey s TYR 42 Cb -0.17 -2.55 0.10 0.00 -0.11 0.00 0.00 41.96 39.23 1wey s TYR 42 CO -0.15 0.38 0.16 -0.06 -1.11 0.00 0.00 175.55 174.78 1wey s PHE 43 N -0.27 3.61 -0.53 2.71 0.08 -0.33 -4.93 117.98 118.32 1wey s PHE 43 Ca 0.29 -2.52 0.19 0.00 0.12 0.00 0.00 56.93 55.02 1wey s PHE 43 Cb -0.18 -3.10 0.88 0.00 -0.57 0.00 0.00 43.02 40.06 1wey s PHE 43 CO 0.16 -0.96 1.59 1.17 -0.10 0.00 0.00 175.22 177.08 1wey n LYS 44 N 4.52 0.13 0.04 0.44 4.81 -1.26 0.15 118.16 126.99 1wey n LYS 44 Ca -0.01 0.47 -0.17 0.00 -0.87 0.00 0.00 58.31 57.72 1wey n LYS 44 Cb 0.42 -1.80 -0.14 0.00 0.02 0.00 0.00 35.03 33.52 1wey n LYS 44 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1wey h SER 45 N 0.00 0.36 -0.12 3.14 0.02 -1.96 -3.36 113.55 111.62 1wey h SER 45 Ca 0.00 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1wey h SER 45 Cb 0.21 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1wey h SER 45 CO 0.00 1.48 0.00 0.49 -1.14 0.00 0.00 176.83 177.66 1wey n PHE 46 N -3.41 0.29 -3.97 3.45 3.72 -0.89 -4.99 117.46 111.65 1wey n PHE 46 Ca -0.19 -0.74 -0.27 0.00 -0.05 0.00 0.00 57.45 56.21 1wey n PHE 46 Cb 1.05 -0.13 -0.08 0.00 -0.94 0.00 0.00 39.48 39.38 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 -0.61 -0.92 -4.60 -1.08 4.76 0.40 -4.90 118.16 111.21 1wey n LYS 47 Ca 0.12 0.08 -0.27 0.00 -2.87 0.00 0.00 58.31 55.36 1wey n LYS 47 Cb 0.54 -3.04 -0.11 0.00 -1.84 0.00 0.00 35.03 30.58 1wey n LYS 47 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1wey s ARG 48 N -6.46 1.92 -0.22 1.97 0.52 -1.04 -4.46 118.95 111.18 1wey s ARG 48 Ca 0.11 -2.08 -0.04 0.00 -0.52 0.00 0.00 55.73 53.20 1wey s ARG 48 Cb -0.06 -1.54 0.07 0.00 0.52 0.00 0.00 34.95 33.94 1wey s ARG 48 CO 0.81 -0.07 0.08 0.08 0.02 0.00 0.00 175.30 176.23 1wey s VAL 49 N -2.78 0.22 -0.38 3.52 1.01 -0.30 -1.18 120.40 120.50 1wey s VAL 49 Ca 0.35 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 1wey s VAL 49 Cb 0.10 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1wey s VAL 49 CO 0.18 -0.39 0.59 -0.60 0.00 0.00 0.00 175.10 174.87 1wey s ARG 50 N 1.98 3.51 -0.35 2.72 3.52 0.37 -0.25 118.95 130.45 1wey s ARG 50 Ca 0.03 -0.19 -0.05 0.00 -0.13 0.00 0.00 55.73 55.39 1wey s ARG 50 Cb -0.16 -3.86 0.05 0.00 -1.56 0.00 0.00 34.95 29.42 1wey s ARG 50 CO -0.16 -0.80 0.11 0.42 -0.81 0.00 0.00 175.30 174.07 1wey s ILE 51 N 2.61 3.61 -0.11 4.11 1.01 0.57 0.19 121.20 133.20 1wey s ILE 51 Ca 0.21 -1.32 -0.13 0.00 0.00 0.00 0.00 60.65 59.41 1wey s ILE 51 Cb -0.15 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 1wey s ILE 51 CO 0.16 -0.26 0.31 0.20 0.00 0.00 0.00 174.94 175.34 1wey s ASN 52 N 1.51 6.53 0.47 3.58 -0.87 0.84 -0.64 114.94 126.36 1wey s ASN 52 Ca -0.01 0.63 0.05 0.00 -1.57 0.00 0.00 52.86 51.96 1wey s ASN 52 Cb -0.20 -2.19 0.05 0.00 -0.02 0.00 0.00 41.25 38.89 1wey s ASN 52 CO 0.01 0.20 0.39 0.49 -2.57 0.00 0.00 177.10 175.62 1wey n PHE 53 N 2.90 -0.96 -0.07 2.20 3.01 -0.35 -0.57 117.46 123.62 1wey n PHE 53 Ca -0.13 -1.94 -0.05 0.00 1.01 0.00 0.00 57.45 56.34 1wey n PHE 53 Cb 0.52 -0.39 -0.15 0.00 -0.01 0.00 0.00 39.48 39.45 1wey n PHE 53 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1wey n SER 54 N -1.94 0.12 -4.14 4.37 3.41 -1.26 -4.80 113.62 109.38 1wey n SER 54 Ca 0.00 0.05 -0.21 0.00 -0.26 0.00 0.00 58.87 58.46 1wey n SER 54 Cb 0.52 1.08 -0.14 0.00 -0.26 0.00 0.00 64.21 65.42 1wey n SER 54 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1wey s ASN 55 N -5.34 1.71 0.00 4.04 0.01 -1.26 -5.01 114.94 109.08 1wey s ASN 55 Ca -0.09 -0.40 0.14 0.00 -0.71 0.00 0.00 52.86 51.81 1wey s ASN 55 Cb 0.08 -0.14 0.86 0.00 0.41 0.00 0.00 41.25 42.47 1wey s ASN 55 CO 0.85 0.08 1.28 -0.81 -1.51 0.00 0.00 177.10 176.99 1wey n PRO 56 N 2.14 0.49 -0.02 -0.60 -0.04 -1.26 -3.54 135.00 132.17 1wey n PRO 56 Ca -0.17 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 1wey n PRO 56 Cb 0.55 -1.46 -0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.80 1.53 4.07 -1.95 -3.37 115.31 114.78 1wey h LEU 57 Ca 0.00 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.14 1wey h LEU 57 Cb 0.00 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 41.59 1wey h LEU 57 CO 0.00 0.24 -0.07 -1.28 -1.08 0.00 0.00 178.44 176.25 1wey h SER 58 N -0.39 -0.52 -1.28 -0.43 0.87 -2.00 0.41 113.55 110.22 1wey h SER 58 Ca 0.00 0.22 0.44 0.00 -1.23 0.00 0.00 61.79 61.22 1wey h SER 58 Cb 0.10 0.42 -0.14 0.00 -0.44 0.00 0.00 62.40 62.34 1wey h SER 58 CO 0.00 -0.24 0.81 0.00 -0.53 0.00 0.00 176.83 176.87 1wey h ALA 59 N 1.78 2.64 0.35 6.23 0.00 -1.75 0.30 119.26 128.80 1wey h ALA 59 Ca 0.43 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 1wey h ALA 59 Cb 0.74 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1wey h ALA 59 CO -0.76 -1.31 -0.17 0.00 0.00 0.00 0.00 179.25 177.01 1wey h ALA 60 N 1.67 -0.47 -0.20 0.00 0.00 -0.33 -3.15 119.26 116.79 1wey h ALA 60 Ca 0.83 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.62 1wey h ALA 60 Cb 2.55 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 20.51 1wey h ALA 60 CO -0.49 -0.52 0.15 -0.44 0.00 0.00 0.00 179.25 177.95 1wey h ASP 61 N -0.94 0.00 0.41 0.00 5.19 -0.70 0.58 116.42 120.96 1wey h ASP 61 Ca -0.05 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 1wey h ASP 61 Cb 0.52 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.03 1wey h ASP 61 CO 0.08 0.00 -0.10 0.00 -3.12 0.00 0.00 179.24 176.10 1wey h ALA 62 N 1.89 1.23 0.17 3.45 0.00 -0.53 -1.50 119.26 123.97 1wey h ALA 62 Ca 0.09 -0.09 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1wey h ALA 62 Cb 0.39 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wey h ALA 62 CO -0.00 0.13 -1.72 -0.09 0.00 0.00 0.00 179.25 177.57 1wey h ARG 63 N 0.00 0.36 -0.56 0.00 2.43 -0.85 -3.03 114.38 112.73 1wey h ARG 63 Ca -0.00 -0.62 -0.11 0.00 -0.81 0.00 0.00 59.98 58.44 1wey h ARG 63 Cb 0.34 0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1wey h ARG 63 CO 0.01 1.27 -0.08 1.37 -1.51 0.00 0.00 179.97 181.04 1wey h LEU 64 N 0.10 1.04 0.00 3.80 8.10 -1.23 -2.46 115.31 124.65 1wey h LEU 64 Ca -0.33 -0.33 0.00 0.00 0.11 0.00 0.00 57.88 57.34 1wey h LEU 64 Cb 2.09 -0.28 0.00 0.00 -0.44 0.00 0.00 40.66 42.02 1wey h LEU 64 CO 0.17 1.13 0.00 0.54 -4.11 0.00 0.00 178.44 176.17 1wey n ARG 65 N -4.15 0.07 0.00 0.17 1.74 -0.59 -4.86 116.66 109.03 1wey n ARG 65 Ca 0.02 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1wey n ARG 65 Cb 0.39 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 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 -1.47 0.00 0.00 0.55 4.77 -0.92 -4.97 117.00 114.96 1wey n LEU 66 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1wey n LEU 66 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1wey n LEU 66 CO 0.26 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.89 1wey n HIS 67 N 0.00 0.00 -0.39 -1.77 -0.00 -1.24 -3.91 115.22 107.91 1wey n HIS 67 Ca 0.00 0.00 0.31 0.00 0.46 0.00 0.00 57.72 58.49 1wey n HIS 67 Cb 0.00 0.00 0.50 0.00 -0.12 0.00 0.00 29.99 30.37 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 3.92 -0.02 -1.02 1.57 4.01 -0.58 -3.54 118.16 122.51 1wey n LYS 68 Ca 0.00 0.82 -0.39 0.00 -0.51 0.00 0.00 58.31 58.23 1wey n LYS 68 Cb 0.00 -1.71 -0.05 0.00 -0.51 0.00 0.00 35.03 32.76 1wey n LYS 68 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1wey n THR 69 N -3.80 0.28 -1.92 -0.18 -2.24 -1.25 -3.93 114.28 101.23 1wey n THR 69 Ca 0.29 -0.07 -0.27 0.00 -2.27 0.00 0.00 64.05 61.73 1wey n THR 69 Cb 1.19 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.14 2.35 -0.50 -0.78 2.02 -1.26 -3.37 118.70 117.03 1wey s GLU 70 Ca 0.59 0.16 -0.29 0.00 0.02 0.00 0.00 54.97 55.45 1wey s GLU 70 Cb -0.83 -4.84 0.03 0.00 0.10 0.00 0.00 34.13 28.59 1wey s GLU 70 CO 0.39 -3.45 1.17 0.12 0.02 0.00 0.00 175.26 173.52 1wey s PHE 71 N 10.93 2.73 -1.94 1.61 2.19 0.33 -3.47 117.98 130.37 1wey s PHE 71 Ca 0.76 0.64 0.00 0.00 0.33 0.00 0.00 56.93 58.66 1wey s PHE 71 Cb -0.10 -4.45 0.00 0.00 -1.31 0.00 0.00 43.02 37.16 1wey s PHE 71 CO 0.07 -1.40 0.00 1.28 1.83 0.00 0.00 175.22 177.00 1wey n LEU 72 N 8.08 -1.48 0.00 6.12 4.77 -1.26 -1.46 117.00 131.77 1wey n LEU 72 Ca 0.12 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1wey n LEU 72 Cb 0.49 -2.67 0.00 0.00 -2.33 0.00 0.00 43.42 38.91 1wey n LEU 72 CO 0.72 -0.84 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1wey n GLY 73 N -0.71 2.55 3.80 -0.72 0.00 -1.23 -5.06 105.19 103.82 1wey n GLY 73 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.25 3.28 -0.05 1.61 -0.14 -0.53 -4.93 119.74 118.73 1wey s LYS 74 Ca 0.00 -0.23 -0.30 0.00 -1.36 0.00 0.00 55.97 54.08 1wey s LYS 74 Cb 0.00 -3.05 -0.03 0.00 -1.68 0.00 0.00 37.83 33.08 1wey s LYS 74 CO 0.00 0.74 1.10 -2.00 -0.76 0.00 0.00 175.35 174.43 1wey s GLU 75 N -0.95 4.42 0.07 1.68 2.12 -1.26 0.12 118.70 124.90 1wey s GLU 75 Ca 0.14 1.55 0.05 0.00 0.36 0.00 0.00 54.97 57.07 1wey s GLU 75 Cb -0.12 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1wey s GLU 75 CO 0.03 -0.32 -0.06 1.41 -0.54 0.00 0.00 175.26 175.78 1wey s MET 76 N 1.84 2.38 0.31 4.30 -2.45 -1.22 -4.68 119.30 119.79 1wey s MET 76 Ca 0.53 -0.88 0.08 0.00 -1.25 0.00 0.00 55.69 54.16 1wey s MET 76 Cb -0.22 -2.44 -0.03 0.00 1.25 0.00 0.00 34.83 33.39 1wey s MET 76 CO 0.22 0.54 0.23 0.15 1.05 0.00 0.00 175.02 177.22 1wey s LYS 77 N -2.05 2.69 -0.14 4.11 -0.14 -0.32 -1.52 119.74 122.36 1wey s LYS 77 Ca 0.22 -1.29 -0.13 0.00 -1.36 0.00 0.00 55.97 53.42 1wey s LYS 77 Cb -0.11 -2.43 0.04 0.00 -1.68 0.00 0.00 37.83 33.64 1wey s LYS 77 CO 0.14 0.18 0.37 -0.51 -0.76 0.00 0.00 175.35 174.77 1wey s LEU 78 N -3.92 0.53 0.30 3.17 1.43 -1.26 -0.04 118.68 118.88 1wey s LEU 78 Ca 0.38 0.76 0.05 0.00 -1.03 0.00 0.00 54.13 54.29 1wey s LEU 78 Cb -0.06 1.27 -0.06 0.00 0.03 0.00 0.00 46.19 47.38 1wey s LEU 78 CO 0.25 -0.13 0.00 -0.31 0.23 0.00 0.00 176.35 176.39 1wey s TYR 79 N 0.30 1.96 -0.41 0.29 1.51 0.66 -4.93 117.35 116.73 1wey s TYR 79 Ca -0.01 -0.83 0.01 0.00 -1.01 0.00 0.00 57.07 55.23 1wey s TYR 79 Cb -0.03 -1.22 0.42 0.00 -0.11 0.00 0.00 41.96 41.02 1wey s TYR 79 CO -0.01 0.14 1.85 1.19 -1.11 0.00 0.00 175.55 177.61 1wey n PHE 80 N -0.64 2.33 -3.16 2.71 3.01 -1.26 -0.30 117.46 120.16 1wey n PHE 80 Ca -0.04 -1.97 -0.08 0.00 1.01 0.00 0.00 57.45 56.36 1wey n PHE 80 Cb 0.65 -0.98 0.01 0.00 -0.01 0.00 0.00 39.48 39.15 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 -0.52 -2.36 -3.37 4.37 0.00 -1.25 -4.82 120.51 112.56 1wey n ALA 81 Ca 0.45 0.21 -0.14 0.00 0.00 0.00 0.00 53.44 53.96 1wey n ALA 81 Cb 1.02 -1.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 1wey n ALA 81 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1wey s GLN 82 N -1.47 0.73 0.36 0.00 -2.07 -1.26 -4.99 119.66 110.95 1wey s GLN 82 Ca 0.09 0.29 -0.25 0.00 -1.82 0.00 0.00 55.36 53.68 1wey s GLN 82 Cb -0.01 0.34 -0.13 0.00 -1.09 0.00 0.00 33.01 32.12 1wey s GLN 82 CO 0.34 -0.17 0.69 -2.37 -1.32 0.00 0.00 175.29 172.46 1wey n THR 83 N 1.83 1.91 -1.56 3.63 5.66 -1.26 -4.73 114.28 119.76 1wey n THR 83 Ca -0.18 -0.50 -0.38 0.00 -3.05 0.00 0.00 64.05 59.95 1wey n THR 83 Cb 0.56 -0.63 -0.03 0.00 -1.55 0.00 0.00 70.33 68.68 1wey n THR 83 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wey n LEU 84 N 1.28 2.54 -4.06 1.09 -0.00 -1.26 -4.88 117.00 111.71 1wey n LEU 84 Ca 0.12 -0.34 -0.34 0.00 -0.00 0.00 0.00 56.01 55.44 1wey n LEU 84 Cb 0.36 -1.58 -0.08 0.00 -0.00 0.00 0.00 43.42 42.12 1wey n LEU 84 CO 0.56 -1.37 0.24 -2.28 -0.00 0.00 0.00 177.39 174.55 1wey s HIS 85 N 11.32 3.79 -0.29 1.47 2.46 -1.26 -5.00 115.29 127.79 1wey s HIS 85 Ca 0.99 -3.08 -0.02 0.00 0.47 0.00 0.00 55.06 53.42 1wey s HIS 85 Cb -0.21 -3.12 0.09 0.00 -0.13 0.00 0.00 32.58 29.21 1wey s HIS 85 CO 0.28 -0.70 0.09 0.42 -2.47 0.00 0.00 174.74 172.36 1wey s ILE 86 N -1.29 0.69 -0.05 0.89 1.09 -1.26 -5.12 121.20 116.16 1wey s ILE 86 Ca 0.26 -1.20 0.06 0.00 -1.10 0.00 0.00 60.65 58.67 1wey s ILE 86 Cb -0.08 -1.49 -0.02 0.00 -1.06 0.00 0.00 42.46 39.82 1wey s ILE 86 CO -0.13 -0.62 -0.22 -0.83 -0.10 0.00 0.00 174.94 173.05 1wey s GLY 87 N 1.72 1.37 -0.24 6.18 0.00 -1.26 -5.11 107.32 109.97 1wey s GLY 87 Ca 0.08 -1.04 -0.27 0.00 0.00 0.00 0.00 44.72 43.49 1wey s GLY 87 CO -0.25 -0.72 1.11 -0.45 0.00 0.00 0.00 173.10 172.79 1wey s SER 88 N -0.38 -0.32 -0.10 1.64 0.15 -1.26 -5.15 113.70 108.27 1wey s SER 88 Ca 0.03 0.50 -0.18 0.00 0.70 0.00 0.00 55.95 57.01 1wey s SER 88 Cb -0.12 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1wey s SER 88 CO 0.02 -0.19 0.46 -0.44 1.20 0.00 0.00 173.24 174.28 1wey s SER 89 N -0.44 6.69 0.21 5.45 0.01 -1.26 -5.06 113.70 119.30 1wey s SER 89 Ca 0.02 0.82 -0.17 0.00 1.31 0.00 0.00 55.95 57.94 1wey s SER 89 Cb -0.03 -2.28 0.02 0.00 0.21 0.00 0.00 66.02 63.95 1wey s SER 89 CO -0.05 0.05 0.54 -1.00 0.41 0.00 0.00 173.24 173.19 1wey s HIS 90 N 0.37 -0.06 0.34 2.43 4.02 -1.26 -5.09 115.29 116.04 1wey s HIS 90 Ca 0.25 -0.30 0.00 0.00 1.02 0.00 0.00 55.06 56.04 1wey s HIS 90 Cb -0.15 0.40 0.00 0.00 -1.02 0.00 0.00 32.58 31.80 1wey s HIS 90 CO 0.10 -0.96 0.00 1.28 1.02 0.00 0.00 174.74 176.19 1wey n LEU 91 N -0.36 -2.40 -3.17 0.89 4.32 -1.26 -5.10 117.00 109.93 1wey n LEU 91 Ca -0.08 0.63 -0.14 0.00 -0.02 0.00 0.00 56.01 56.40 1wey n LEU 91 Cb 0.62 2.35 0.01 0.00 -1.62 0.00 0.00 43.42 44.78 1wey n LEU 91 CO 0.18 -0.13 0.04 0.00 -1.22 0.00 0.00 177.39 176.26 1wey n ALA 92 N -3.27 -2.70 -1.49 -1.18 0.00 -1.26 -4.95 120.51 105.65 1wey n ALA 92 Ca 0.00 0.47 -0.33 0.00 0.00 0.00 0.00 53.44 53.58 1wey n ALA 92 Cb 0.00 -2.40 0.05 0.00 0.00 0.00 0.00 19.45 17.10 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 -3.03 2.76 0.41 0.00 0.04 -1.26 -5.00 135.00 128.91 1wey s PRO 93 Ca 0.16 1.37 -0.25 0.00 0.04 0.00 0.00 61.00 62.33 1wey s PRO 93 Cb -0.03 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1wey s PRO 93 CO 0.80 -1.28 1.19 -1.25 0.04 0.00 0.00 177.00 176.50 1wey s PRO 94 N -4.15 4.01 0.47 0.56 0.04 -1.26 -4.98 135.00 129.68 1wey s PRO 94 Ca 0.67 1.87 -0.24 0.00 0.04 0.00 0.00 61.00 63.33 1wey s PRO 94 Cb -0.20 -2.66 -0.07 0.00 0.04 0.00 0.00 34.50 31.61 1wey s PRO 94 CO 0.43 -0.37 1.40 0.54 0.04 0.00 0.00 177.00 179.04 1wey s ASN 95 N -1.11 5.76 -0.67 6.66 4.22 -1.26 -4.88 114.94 123.66 1wey s ASN 95 Ca 0.58 2.87 -0.26 0.00 -2.14 0.00 0.00 52.86 53.90 1wey s ASN 95 Cb -0.31 -2.65 -0.03 0.00 1.28 0.00 0.00 41.25 39.54 1wey s ASN 95 CO 0.39 -1.25 1.89 -2.16 -2.04 0.00 0.00 177.10 173.93 1wey s PRO 96 N -2.55 2.60 -0.24 3.55 0.04 -1.26 -4.90 135.00 132.23 1wey s PRO 96 Ca 0.63 0.43 -0.06 0.00 0.04 0.00 0.00 61.00 62.05 1wey s PRO 96 Cb -0.43 -4.53 0.12 0.00 0.04 0.00 0.00 34.50 29.71 1wey s PRO 96 CO 0.54 -2.88 0.48 0.16 0.04 0.00 0.00 177.00 175.34 1wey s ASP 97 N 8.14 -0.49 -0.08 6.66 -4.77 -1.26 -5.16 116.67 119.71 1wey s ASP 97 Ca 0.68 0.91 -0.27 0.00 -3.30 0.00 0.00 52.55 50.56 1wey s ASP 97 Cb -0.11 1.61 0.06 0.00 -1.09 0.00 0.00 42.92 43.39 1wey s ASP 97 CO 0.16 -0.25 0.63 -0.75 0.70 0.00 0.00 175.17 175.66 1wey s LYS 98 N 2.69 0.95 -0.19 2.11 2.20 -1.26 -5.18 119.74 121.07 1wey s LYS 98 Ca 0.04 0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.69 1wey s LYS 98 Cb -0.13 0.45 0.14 0.00 -1.51 0.00 0.00 37.83 36.78 1wey s LYS 98 CO -0.16 -0.26 1.10 0.45 -0.36 0.00 0.00 175.35 176.11 1wey s SER 99 N -0.90 -0.27 -0.65 1.43 0.15 -1.26 -5.08 113.70 107.12 1wey s SER 99 Ca -0.09 0.28 -0.15 0.00 0.70 0.00 0.00 55.95 56.69 1wey s SER 99 Cb -0.02 0.23 -0.17 0.00 -1.71 0.00 0.00 66.02 64.35 1wey s SER 99 CO 0.07 -0.26 1.61 0.61 1.20 0.00 0.00 173.24 176.47 1wey n GLY 100 N 0.62 -0.32 3.77 9.45 0.00 -1.26 -4.81 105.19 112.64 1wey n GLY 100 Ca -0.07 0.47 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 1wey n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wey s PRO 101 N 5.33 3.50 0.24 1.61 0.04 -1.26 -5.05 135.00 139.41 1wey s PRO 101 Ca 0.87 1.67 -0.04 0.00 0.04 0.00 0.00 61.00 63.54 1wey s PRO 101 Cb -0.72 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 31.70 1wey s PRO 101 CO 0.34 -0.74 0.38 0.43 0.04 0.00 0.00 177.00 177.45 1wey n SER 102 N -1.01 -1.09 -4.72 6.66 7.64 -1.26 -5.16 113.62 114.68 1wey n SER 102 Ca 0.10 -2.15 -0.34 0.00 1.01 0.00 0.00 58.87 57.49 1wey n SER 102 Cb 0.50 1.93 0.10 0.00 -1.01 0.00 0.00 64.21 65.73 1wey n SER 102 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wey s SER 103 N -2.37 4.15 0.00 6.43 0.15 -1.26 -5.28 113.70 115.51 1wey s SER 103 Ca 0.16 2.37 0.10 0.00 0.70 0.00 0.00 55.95 59.28 1wey s SER 103 Cb -0.02 -2.59 0.60 0.00 -1.71 0.00 0.00 66.02 62.31 1wey s SER 103 CO 0.11 -2.30 1.05 0.61 1.20 0.00 0.00 173.24 173.91