#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wey n SER 2 N 0.00 -8.25 -3.06 1.61 7.64 -1.26 -4.94 113.62 105.36 1wey n SER 2 Ca 0.00 0.79 0.01 0.00 1.01 0.00 0.00 58.87 60.67 1wey n SER 2 Cb 0.00 -4.40 -0.00 0.00 -1.01 0.00 0.00 64.21 58.80 1wey n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wey s SER 3 N -6.94 -1.25 0.00 6.43 0.15 -1.26 -5.02 113.70 105.82 1wey s SER 3 Ca 0.00 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1wey s SER 3 Cb 0.00 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.91 1wey s SER 3 CO 0.00 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1wey n GLY 4 N 4.08 0.79 2.95 9.45 0.00 -1.26 -5.14 105.19 116.06 1wey n GLY 4 Ca 0.11 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 1wey n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wey s SER 5 N -1.61 0.59 -0.71 1.61 1.04 -1.26 -4.88 113.70 108.48 1wey s SER 5 Ca 0.00 -0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.31 1wey s SER 5 Cb 0.00 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 1wey s SER 5 CO 0.00 0.06 0.61 -1.20 0.98 0.00 0.00 173.24 173.69 1wey n SER 6 N 2.99 -4.36 -4.80 7.02 7.64 -1.26 -4.29 113.62 116.56 1wey n SER 6 Ca -0.13 -0.45 -0.22 0.00 1.01 0.00 0.00 58.87 59.08 1wey n SER 6 Cb 0.58 -3.57 -0.05 0.00 -1.01 0.00 0.00 64.21 60.16 1wey n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wey s GLY 7 N -3.40 1.63 0.00 0.23 0.00 -1.26 -1.04 107.32 103.48 1wey s GLY 7 Ca 0.23 -1.58 -0.04 0.00 0.00 0.00 0.00 44.72 43.33 1wey s GLY 7 CO 0.48 -1.57 0.08 1.08 0.00 0.00 0.00 173.10 173.17 1wey s LEU 8 N -3.88 1.79 -0.45 0.66 1.43 0.04 -2.96 118.68 115.31 1wey s LEU 8 Ca 0.36 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1wey s LEU 8 Cb -0.06 0.43 0.12 0.00 0.03 0.00 0.00 46.19 46.70 1wey s LEU 8 CO 0.25 -0.29 0.20 -0.63 0.23 0.00 0.00 176.35 176.11 1wey s ILE 9 N -1.17 2.82 -0.14 -0.59 -1.09 0.13 -0.42 121.20 120.73 1wey s ILE 9 Ca -0.13 -2.64 -0.26 0.00 -2.23 0.00 0.00 60.65 55.39 1wey s ILE 9 Cb -0.07 -2.96 -0.02 0.00 -1.58 0.00 0.00 42.46 37.83 1wey s ILE 9 CO 0.00 -0.72 0.85 0.00 -1.23 0.00 0.00 174.94 173.85 1wey s ALA 10 N 0.48 3.46 -0.44 9.38 0.00 -0.67 -0.16 121.76 133.82 1wey s ALA 10 Ca 0.13 0.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 1wey s ALA 10 Cb -0.22 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 19.74 1wey s ALA 10 CO -0.04 -0.55 0.32 0.00 0.00 0.00 0.00 175.76 175.49 1wey s VAL 12 N 1.56 4.86 -0.14 0.00 -7.23 -1.26 -1.31 120.40 116.88 1wey s VAL 12 Ca 0.03 -1.15 0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1wey s VAL 12 Cb -0.23 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.08 1wey s VAL 12 CO 0.05 -0.31 0.18 0.00 -0.31 0.00 0.00 175.10 174.71 1wey n ALA 13 N -1.17 2.32 -2.80 1.32 0.00 -1.26 -4.94 120.51 113.99 1wey n ALA 13 Ca -0.08 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 1wey n ALA 13 Cb 0.57 -0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.03 6.19 0.58 0.00 0.01 -1.26 -4.86 114.94 114.57 1wey s ASN 14 Ca 0.01 -0.93 0.22 0.00 -0.71 0.00 0.00 52.86 51.45 1wey s ASN 14 Cb 0.02 -2.45 1.18 0.00 0.41 0.00 0.00 41.25 40.41 1wey s ASN 14 CO 0.08 -1.51 1.64 0.44 -1.51 0.00 0.00 177.10 176.24 1wey h ASP 15 N 9.63 0.00 -0.23 -1.22 5.19 -2.00 0.24 116.42 128.03 1wey h ASP 15 Ca -0.26 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.99 1wey h ASP 15 Cb 1.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.58 1wey h ASP 15 CO 1.20 0.00 -0.46 0.44 -3.12 0.00 0.00 179.24 177.30 1wey h ASP 16 N 0.00 0.81 -0.82 6.45 3.32 -1.98 -3.06 116.42 121.13 1wey h ASP 16 Ca 0.00 -0.55 0.24 0.00 0.02 0.00 0.00 57.03 56.74 1wey h ASP 16 Cb 0.84 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1wey h ASP 16 CO 0.00 1.20 0.86 0.58 -1.72 0.00 0.00 179.24 180.17 1wey h VAL 17 N 0.44 0.19 -0.31 -1.35 2.07 -0.87 0.23 116.25 116.65 1wey h VAL 17 Ca 0.01 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.33 1wey h VAL 17 Cb 1.07 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 31.06 1wey h VAL 17 CO 0.10 0.00 0.26 0.49 0.02 0.00 0.00 177.57 178.44 1wey n PHE 18 N -3.55 1.00 -3.60 1.57 3.01 -1.16 -3.92 117.46 110.81 1wey n PHE 18 Ca 0.18 -1.45 -0.26 0.00 1.01 0.00 0.00 57.45 56.93 1wey n PHE 18 Cb 1.14 -0.71 -0.17 0.00 -0.01 0.00 0.00 39.48 39.72 1wey n PHE 18 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wey s SER 19 N 0.67 2.28 0.28 4.37 0.15 0.82 -4.99 113.70 117.28 1wey s SER 19 Ca 0.20 -0.58 0.16 0.00 0.70 0.00 0.00 55.95 56.42 1wey s SER 19 Cb 0.16 -0.21 0.85 0.00 -1.71 0.00 0.00 66.02 65.11 1wey s SER 19 CO 0.01 -0.35 1.43 -1.84 1.20 0.00 0.00 173.24 173.69 1wey n GLU 20 N 5.28 0.10 -0.22 5.44 0.28 -1.26 -2.86 120.64 127.40 1wey n GLU 20 Ca -0.07 0.58 -0.06 0.00 -0.16 0.00 0.00 57.16 57.46 1wey n GLU 20 Cb 0.49 -1.96 -0.05 0.00 1.43 0.00 0.00 31.44 31.35 1wey n GLU 20 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wey n SER 21 N -2.07 -0.55 0.24 -1.84 2.88 -1.26 -4.71 113.62 106.31 1wey n SER 21 Ca -0.01 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1wey n SER 21 Cb 0.15 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1wey n SER 21 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wey n GLU 22 N -4.21 0.00 -0.31 -1.46 1.02 -1.20 -4.97 120.64 109.52 1wey n GLU 22 Ca 0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.12 1wey n GLU 22 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 1wey n GLU 22 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1wey n THR 23 N -3.47 -0.44 -0.37 2.62 -1.04 -1.26 0.45 114.28 110.77 1wey n THR 23 Ca 0.00 1.83 -0.01 0.00 -2.04 0.00 0.00 64.05 63.83 1wey n THR 23 Cb 0.00 -2.37 0.04 0.00 -1.82 0.00 0.00 70.33 66.18 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 -0.01 -0.93 -2.82 2.43 -1.64 0.73 114.38 112.14 1wey h ARG 24 Ca 0.23 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 59.65 1wey h ARG 24 Cb 0.42 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.84 1wey h ARG 24 CO -0.76 -0.01 0.43 0.00 -1.51 0.00 0.00 179.97 178.12 1wey h ALA 25 N 1.37 1.56 0.00 2.80 0.00 -0.28 0.99 119.26 125.70 1wey h ALA 25 Ca 0.34 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 1wey h ALA 25 Cb 0.60 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1wey h ALA 25 CO -0.97 -0.41 -0.03 0.87 0.00 0.00 0.00 179.25 178.72 1wey h LYS 26 N 0.37 0.00 0.02 0.00 1.57 0.56 0.27 116.57 119.37 1wey h LYS 26 Ca 0.61 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 59.08 1wey h LYS 26 Cb 1.22 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 1wey h LYS 26 CO -0.56 0.03 -1.79 0.34 -0.57 0.00 0.00 179.45 176.89 1wey n PHE 27 N -4.35 0.99 0.07 -1.35 -0.00 0.30 -4.07 117.46 109.05 1wey n PHE 27 Ca -0.03 0.33 -0.08 0.00 -0.00 0.00 0.00 57.45 57.67 1wey n PHE 27 Cb 0.11 -1.17 -0.05 0.00 -0.00 0.00 0.00 39.48 38.37 1wey n PHE 27 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1wey h GLU 28 N 0.01 -0.27 -1.30 -4.13 5.08 0.35 -3.27 114.58 111.05 1wey h GLU 28 Ca -0.32 0.02 0.42 0.00 -1.00 0.00 0.00 59.36 58.48 1wey h GLU 28 Cb 2.03 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 31.22 1wey h GLU 28 CO 0.08 0.01 0.84 0.66 -1.00 0.00 0.00 179.01 179.60 1wey h SER 29 N -1.00 0.26 -0.08 1.42 4.64 -0.69 0.11 113.55 118.20 1wey h SER 29 Ca -0.03 0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1wey h SER 29 Cb 0.40 0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 62.54 1wey h SER 29 CO 0.05 -0.15 -0.48 -0.07 -0.87 0.00 0.00 176.83 175.31 1wey h LEU 30 N 0.11 -1.48 0.01 5.97 3.38 -1.70 0.15 115.31 121.75 1wey h LEU 30 Ca 0.80 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.95 1wey h LEU 30 Cb 2.48 0.58 0.00 0.00 0.09 0.00 0.00 40.66 43.82 1wey h LEU 30 CO -0.40 -0.47 -0.00 -0.26 0.09 0.00 0.00 178.44 177.40 1wey h PHE 31 N -0.57 -0.01 -0.85 1.13 -1.00 -1.02 -3.32 116.94 111.30 1wey h PHE 31 Ca 0.05 -0.00 0.19 0.00 2.81 0.00 0.00 57.97 61.01 1wey h PHE 31 Cb 0.67 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 40.08 1wey h PHE 31 CO -0.51 0.76 -0.12 -0.09 -1.61 0.00 0.00 178.31 176.74 1wey h ARG 32 N -0.82 0.03 -0.96 1.51 1.12 -0.92 0.26 114.38 114.60 1wey h ARG 32 Ca -0.00 -0.00 0.35 0.00 -1.11 0.00 0.00 59.98 59.21 1wey h ARG 32 Cb 0.77 -0.01 -0.18 0.00 -0.01 0.00 0.00 29.97 30.55 1wey h ARG 32 CO 0.00 0.02 0.31 2.41 -3.11 0.00 0.00 179.97 179.60 1wey n THR 33 N -5.49 -0.40 0.00 0.20 -1.04 0.53 -1.85 114.28 106.22 1wey n THR 33 Ca 0.14 2.02 0.00 0.00 -2.04 0.00 0.00 64.05 64.18 1wey n THR 33 Cb 0.49 -3.14 0.00 0.00 -1.82 0.00 0.00 70.33 65.86 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 -5.28 0.00 -4.15 -1.42 4.01 0.91 -4.87 117.16 106.35 1wey n TYR 34 Ca 0.31 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.74 1wey n TYR 34 Cb 1.03 -0.49 -0.08 0.00 -0.31 0.00 0.00 39.34 39.50 1wey n TYR 34 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1wey s ASP 35 N -2.51 5.23 -0.01 7.72 1.11 -0.77 -5.02 116.67 122.41 1wey s ASP 35 Ca 0.00 -0.06 0.18 0.00 0.18 0.00 0.00 52.55 52.85 1wey s ASP 35 Cb 0.00 -1.35 -0.20 0.00 1.07 0.00 0.00 42.92 42.45 1wey s ASP 35 CO 0.00 0.21 0.59 0.29 1.18 0.00 0.00 175.17 177.44 1wey n LYS 36 N 0.83 0.64 -0.80 8.23 5.02 -1.26 -4.09 118.16 126.73 1wey n LYS 36 Ca -0.11 0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.15 1wey n LYS 36 Cb 0.52 -1.69 0.17 0.00 -0.02 0.00 0.00 35.03 34.01 1wey n LYS 36 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1wey n ASP 37 N -2.73 3.73 -4.64 4.39 2.03 -1.26 -4.91 116.55 113.17 1wey n ASP 37 Ca -0.14 -3.00 -0.42 0.00 0.52 0.00 0.00 54.79 51.74 1wey n ASP 37 Cb 0.85 -0.71 -0.03 0.00 -0.72 0.00 0.00 41.12 40.51 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 -2.29 4.67 -0.07 5.18 -4.23 -1.26 -4.40 115.64 113.25 1wey s THR 38 Ca 0.39 1.61 -0.19 0.00 -1.18 0.00 0.00 61.69 62.32 1wey s THR 38 Cb 0.32 -4.28 -0.05 0.00 1.34 0.00 0.00 72.50 69.84 1wey s THR 38 CO 0.09 -0.30 0.52 0.42 -0.54 0.00 0.00 174.62 174.80 1wey s THR 39 N 3.25 5.09 -0.14 3.99 -4.23 0.28 -4.90 115.64 118.98 1wey s THR 39 Ca 0.40 1.06 -0.02 0.00 -1.18 0.00 0.00 61.69 61.94 1wey s THR 39 Cb -0.14 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 69.82 1wey s THR 39 CO 0.12 0.37 -0.06 -0.36 -0.54 0.00 0.00 174.62 174.14 1wey s PHE 40 N 0.24 2.96 -0.28 3.99 0.40 -1.26 -0.25 117.98 123.79 1wey s PHE 40 Ca 0.28 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 1wey s PHE 40 Cb -0.16 -1.90 0.08 0.00 0.51 0.00 0.00 43.02 41.55 1wey s PHE 40 CO 0.13 -0.03 -0.00 -1.14 0.70 0.00 0.00 175.22 174.88 1wey s GLN 41 N 0.20 1.48 -0.10 0.44 2.00 0.89 -4.97 119.66 119.59 1wey s GLN 41 Ca -0.04 -1.26 -0.15 0.00 -2.00 0.00 0.00 55.36 51.91 1wey s GLN 41 Cb -0.14 -2.67 -0.05 0.00 0.80 0.00 0.00 33.01 30.95 1wey s GLN 41 CO 0.03 -0.75 0.39 0.71 -0.50 0.00 0.00 175.29 175.17 1wey s TYR 42 N 1.28 3.56 -0.26 1.67 1.51 -1.26 -0.18 117.35 123.68 1wey s TYR 42 Ca 0.01 0.81 -0.04 0.00 -1.01 0.00 0.00 57.07 56.84 1wey s TYR 42 Cb -0.19 -2.39 0.01 0.00 -0.11 0.00 0.00 41.96 39.28 1wey s TYR 42 CO -0.10 0.34 -0.01 -0.06 -1.11 0.00 0.00 175.55 174.61 1wey s PHE 43 N 0.05 3.07 -0.18 2.71 0.40 -0.14 -4.98 117.98 118.92 1wey s PHE 43 Ca 0.22 -1.25 0.02 0.00 -0.60 0.00 0.00 56.93 55.32 1wey s PHE 43 Cb -0.15 -2.13 0.27 0.00 0.51 0.00 0.00 43.02 41.53 1wey s PHE 43 CO 0.09 -0.64 1.37 1.17 0.70 0.00 0.00 175.22 177.91 1wey n LYS 44 N 4.76 1.51 0.00 0.44 4.81 -1.26 -2.49 118.16 125.92 1wey n LYS 44 Ca -0.16 -1.22 0.00 0.00 -0.87 0.00 0.00 58.31 56.06 1wey n LYS 44 Cb 0.48 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.05 1wey n LYS 44 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1wey n SER 45 N -0.17 0.86 -0.22 3.14 3.41 -1.26 -4.85 113.62 114.54 1wey n SER 45 Ca 0.24 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.95 1wey n SER 45 Cb 0.98 0.05 0.16 0.00 -0.26 0.00 0.00 64.21 65.13 1wey n SER 45 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1wey n PHE 46 N -1.25 0.15 -3.85 7.33 3.72 -1.24 -4.98 117.46 117.34 1wey n PHE 46 Ca 0.00 -1.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.11 1wey n PHE 46 Cb 0.10 -0.18 -0.07 0.00 -0.94 0.00 0.00 39.48 38.39 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 -1.29 -0.85 -4.38 -1.08 4.76 -1.04 -4.88 118.16 109.40 1wey n LYS 47 Ca 0.17 0.09 -0.26 0.00 -2.87 0.00 0.00 58.31 55.44 1wey n LYS 47 Cb 0.68 -3.22 -0.10 0.00 -1.84 0.00 0.00 35.03 30.55 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 -6.02 1.82 -0.28 1.97 0.52 -1.23 -4.20 118.95 111.54 1wey s ARG 48 Ca 0.36 -1.50 -0.02 0.00 -0.52 0.00 0.00 55.73 54.06 1wey s ARG 48 Cb -0.21 -1.96 0.09 0.00 0.52 0.00 0.00 34.95 33.39 1wey s ARG 48 CO 0.78 0.39 0.09 0.08 0.02 0.00 0.00 175.30 176.65 1wey s VAL 49 N -1.97 0.55 -0.49 3.52 1.01 -0.98 -0.96 120.40 121.08 1wey s VAL 49 Ca 0.26 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 1wey s VAL 49 Cb -0.07 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 35.00 1wey s VAL 49 CO 0.14 -0.57 0.97 -0.60 0.00 0.00 0.00 175.10 175.04 1wey s ARG 50 N 1.80 3.51 -0.33 2.72 6.06 0.75 -1.66 118.95 131.79 1wey s ARG 50 Ca 0.07 0.13 -0.07 0.00 -2.50 0.00 0.00 55.73 53.35 1wey s ARG 50 Cb -0.17 -3.96 0.03 0.00 0.06 0.00 0.00 34.95 30.92 1wey s ARG 50 CO -0.24 -1.33 0.12 0.42 -2.50 0.00 0.00 175.30 171.77 1wey s ILE 51 N 3.96 3.96 -0.16 4.11 1.09 0.43 -0.08 121.20 134.51 1wey s ILE 51 Ca 0.37 -0.99 -0.13 0.00 -1.10 0.00 0.00 60.65 58.81 1wey s ILE 51 Cb -0.10 -3.19 -0.05 0.00 -1.06 0.00 0.00 42.46 38.07 1wey s ILE 51 CO 0.26 -0.13 0.28 0.21 -0.10 0.00 0.00 174.94 175.45 1wey s ASN 52 N 1.45 6.43 0.30 3.58 3.84 0.66 -0.78 114.94 130.41 1wey s ASN 52 Ca -0.00 0.50 0.07 0.00 0.21 0.00 0.00 52.86 53.64 1wey s ASN 52 Cb -0.19 -2.17 -0.03 0.00 -0.55 0.00 0.00 41.25 38.31 1wey s ASN 52 CO 0.03 0.13 0.26 -0.36 -2.79 0.00 0.00 177.10 174.37 1wey s PHE 53 N 0.35 3.00 -0.71 0.43 0.40 -0.21 -0.56 117.98 120.68 1wey s PHE 53 Ca 0.16 -0.22 0.26 0.00 -0.60 0.00 0.00 56.93 56.53 1wey s PHE 53 Cb -0.13 -1.64 0.75 0.00 0.51 0.00 0.00 43.02 42.51 1wey s PHE 53 CO 0.04 0.32 1.73 1.03 0.70 0.00 0.00 175.22 179.03 1wey h SER 54 N 1.33 0.00 -4.98 1.36 0.87 -1.86 -3.43 113.55 106.85 1wey h SER 54 Ca -0.46 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 59.96 1wey h SER 54 Cb 1.25 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.01 1wey h SER 54 CO 0.59 0.01 -0.31 0.54 -0.53 0.00 0.00 176.83 177.13 1wey s ASN 55 N -4.61 -0.16 0.55 6.23 2.20 -1.26 -5.04 114.94 112.86 1wey s ASN 55 Ca 0.10 0.05 0.34 0.00 -0.94 0.00 0.00 52.86 52.40 1wey s ASN 55 Cb 0.12 0.30 1.40 0.00 -2.00 0.00 0.00 41.25 41.07 1wey s ASN 55 CO 0.61 -0.43 2.00 1.55 -2.94 0.00 0.00 177.10 177.88 1wey h PRO 56 N 3.94 0.00 0.46 3.55 0.13 -1.89 -3.21 132.00 134.98 1wey h PRO 56 Ca -0.30 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1wey h PRO 56 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wey h PRO 56 CO 0.40 0.01 -0.22 -0.07 -0.23 0.00 0.00 178.00 177.89 1wey h LEU 57 N 0.00 -0.53 -0.50 1.56 3.38 -1.98 -3.06 115.31 114.17 1wey h LEU 57 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wey h LEU 57 Cb 0.50 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1wey h LEU 57 CO 0.00 -0.35 0.31 0.28 0.09 0.00 0.00 178.44 178.77 1wey h SER 58 N -0.66 0.60 -0.93 -0.43 0.02 -1.99 -2.04 113.55 108.13 1wey h SER 58 Ca -0.06 -0.05 0.27 0.00 -0.84 0.00 0.00 61.79 61.10 1wey h SER 58 Cb 0.50 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 1wey h SER 58 CO 0.10 0.48 1.03 0.00 -1.14 0.00 0.00 176.83 177.31 1wey h ALA 59 N 1.15 2.81 0.00 3.77 0.00 -1.55 0.11 119.26 125.56 1wey h ALA 59 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wey h ALA 59 Cb -0.01 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wey h ALA 59 CO -0.03 -1.51 -0.30 0.00 0.00 0.00 0.00 179.25 177.40 1wey h ALA 60 N 0.81 0.00 -0.25 0.00 0.00 -1.36 -3.34 119.26 115.12 1wey h ALA 60 Ca 0.44 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1wey h ALA 60 Cb 2.51 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 20.59 1wey h ALA 60 CO -0.00 0.30 0.60 -0.44 0.00 0.00 0.00 179.25 179.71 1wey h ASP 61 N -0.74 0.00 0.28 0.00 5.19 -1.12 0.72 116.42 120.75 1wey h ASP 61 Ca 0.00 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 1wey h ASP 61 Cb 0.30 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1wey h ASP 61 CO 0.00 0.00 -0.71 0.00 -3.12 0.00 0.00 179.24 175.41 1wey h ALA 62 N 1.03 0.64 0.47 3.45 0.00 -0.98 -2.72 119.26 121.15 1wey h ALA 62 Ca 0.12 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1wey h ALA 62 Cb 1.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wey h ALA 62 CO -0.00 0.76 -0.23 -0.09 0.00 0.00 0.00 179.25 179.69 1wey h ARG 63 N 0.26 -0.61 -0.88 0.00 2.43 0.35 -1.29 114.38 114.64 1wey h ARG 63 Ca -0.03 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.33 1wey h ARG 63 Cb 1.27 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.89 1wey h ARG 63 CO 0.12 -0.31 0.57 1.37 -1.51 0.00 0.00 179.97 180.21 1wey h LEU 64 N -1.02 0.62 -0.20 3.80 8.10 -1.63 0.43 115.31 125.41 1wey h LEU 64 Ca -0.06 0.04 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1wey h LEU 64 Cb 0.58 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 1wey h LEU 64 CO 0.11 0.31 0.00 0.03 -4.11 0.00 0.00 178.44 174.78 1wey h ARG 65 N 0.66 0.00 0.00 0.17 3.08 -1.46 -3.46 114.38 113.37 1wey h ARG 65 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 1wey h ARG 65 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1wey h ARG 65 CO -0.20 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.98 1wey n LEU 66 N -2.31 0.00 0.00 3.04 4.77 0.15 -4.98 117.00 117.68 1wey n LEU 66 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1wey n LEU 66 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1wey n LEU 66 CO 0.28 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.91 1wey n HIS 67 N 0.00 0.00 -0.42 -1.77 -0.00 -1.23 -3.90 115.22 107.91 1wey n HIS 67 Ca 0.00 0.00 0.33 0.00 0.46 0.00 0.00 57.72 58.51 1wey n HIS 67 Cb 0.00 0.00 0.53 0.00 -0.12 0.00 0.00 29.99 30.40 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 3.73 -0.01 -1.00 1.57 5.02 -0.01 -3.13 118.16 124.33 1wey n LYS 68 Ca 0.00 0.83 -0.39 0.00 -2.02 0.00 0.00 58.31 56.73 1wey n LYS 68 Cb 0.00 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.20 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 -3.74 0.04 -1.93 -0.18 -2.24 -1.25 -3.79 114.28 101.19 1wey n THR 69 Ca 0.30 -0.01 -0.26 0.00 -2.27 0.00 0.00 64.05 61.81 1wey n THR 69 Cb 1.27 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.02 2.36 -0.60 -0.78 2.02 -1.26 -3.09 118.70 117.32 1wey s GLU 70 Ca 0.60 0.06 -0.28 0.00 0.02 0.00 0.00 54.97 55.37 1wey s GLU 70 Cb -0.84 -4.89 0.03 0.00 0.10 0.00 0.00 34.13 28.53 1wey s GLU 70 CO 0.38 -3.49 1.20 0.12 0.02 0.00 0.00 175.26 173.49 1wey s PHE 71 N 10.95 2.57 -0.46 1.61 5.36 0.61 -3.52 117.98 135.10 1wey s PHE 71 Ca 0.75 0.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.08 1wey s PHE 71 Cb -0.09 -4.53 0.00 0.00 -0.34 0.00 0.00 43.02 38.06 1wey s PHE 71 CO 0.05 -1.65 0.00 1.28 -1.46 0.00 0.00 175.22 173.44 1wey n LEU 72 N 8.55 0.23 0.00 6.12 4.77 -1.26 -1.66 117.00 133.75 1wey n LEU 72 Ca 0.08 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1wey n LEU 72 Cb 0.49 -2.08 0.00 0.00 -2.33 0.00 0.00 43.42 39.50 1wey n LEU 72 CO 0.71 -0.77 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1wey n GLY 73 N -0.29 2.23 3.65 -0.72 0.00 -1.23 -5.08 105.19 103.75 1wey n GLY 73 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.22 3.92 -0.05 1.61 -0.14 -0.66 -4.94 119.74 119.25 1wey s LYS 74 Ca 0.00 -0.33 -0.30 0.00 -1.36 0.00 0.00 55.97 53.98 1wey s LYS 74 Cb 0.00 -3.20 -0.05 0.00 -1.68 0.00 0.00 37.83 32.90 1wey s LYS 74 CO 0.00 0.32 1.50 -2.00 -0.76 0.00 0.00 175.35 174.41 1wey s GLU 75 N 0.24 4.23 0.08 1.68 2.12 -1.26 -0.28 118.70 125.50 1wey s GLU 75 Ca 0.04 2.03 -0.03 0.00 0.36 0.00 0.00 54.97 57.37 1wey s GLU 75 Cb -0.12 -3.78 -0.05 0.00 0.26 0.00 0.00 34.13 30.44 1wey s GLU 75 CO 0.00 -0.72 0.28 1.41 -0.54 0.00 0.00 175.26 175.69 1wey s MET 76 N 3.29 3.52 0.37 4.30 -2.45 -1.18 -4.79 119.30 122.36 1wey s MET 76 Ca 0.67 -0.25 0.08 0.00 -1.25 0.00 0.00 55.69 54.93 1wey s MET 76 Cb -0.31 -2.98 -0.04 0.00 1.25 0.00 0.00 34.83 32.75 1wey s MET 76 CO 0.26 0.57 0.17 0.15 1.05 0.00 0.00 175.02 177.22 1wey s LYS 77 N -2.42 2.34 -0.23 4.11 1.02 -0.43 -0.83 119.74 123.31 1wey s LYS 77 Ca 0.36 -1.63 -0.18 0.00 0.02 0.00 0.00 55.97 54.53 1wey s LYS 77 Cb -0.13 -2.14 0.06 0.00 -0.52 0.00 0.00 37.83 35.11 1wey s LYS 77 CO 0.24 0.02 0.59 -0.51 -0.92 0.00 0.00 175.35 174.77 1wey s LEU 78 N -3.88 -0.37 -0.03 3.17 1.43 -1.26 -0.05 118.68 117.68 1wey s LEU 78 Ca 0.39 1.21 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 1wey s LEU 78 Cb -0.01 2.01 0.01 0.00 0.03 0.00 0.00 46.19 48.22 1wey s LEU 78 CO 0.23 -0.21 -0.09 -0.31 0.23 0.00 0.00 176.35 176.20 1wey s TYR 79 N 0.71 1.02 -0.18 0.29 1.51 0.77 -4.93 117.35 116.54 1wey s TYR 79 Ca -0.03 -0.28 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 1wey s TYR 79 Cb -0.05 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 1wey s TYR 79 CO -0.05 -0.14 1.77 -0.06 -1.11 0.00 0.00 175.55 175.97 1wey s PHE 80 N 0.33 1.82 0.14 2.71 0.08 -1.26 0.18 117.98 121.98 1wey s PHE 80 Ca -0.06 0.39 -0.16 0.00 0.12 0.00 0.00 56.93 57.23 1wey s PHE 80 Cb -0.10 -4.02 0.01 0.00 -0.57 0.00 0.00 43.02 38.34 1wey s PHE 80 CO 0.01 -3.53 1.72 0.00 -0.10 0.00 0.00 175.22 173.31 1wey h ALA 81 N 11.46 0.55 -2.07 5.36 0.00 -1.85 -3.44 119.26 129.26 1wey h ALA 81 Ca -0.37 -0.11 -0.49 0.00 0.00 0.00 0.00 54.91 53.93 1wey h ALA 81 Cb 1.18 -0.17 0.22 0.00 0.00 0.00 0.00 17.79 19.02 1wey h ALA 81 CO 0.99 0.11 -0.37 1.04 0.00 0.00 0.00 179.25 181.01 1wey n GLN 82 N -4.67 -1.13 -2.71 0.00 1.13 -1.26 -3.85 117.38 104.89 1wey n GLN 82 Ca 0.00 -0.29 -0.20 0.00 -1.94 0.00 0.00 57.00 54.57 1wey n GLN 82 Cb 0.11 -2.02 0.02 0.00 0.11 0.00 0.00 30.24 28.46 1wey n GLN 82 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1wey n THR 83 N -4.26 -2.08 -0.27 5.09 5.66 -1.26 -4.67 114.28 112.48 1wey n THR 83 Ca 0.06 0.02 0.13 0.00 -3.05 0.00 0.00 64.05 61.22 1wey n THR 83 Cb 0.55 -1.88 0.26 0.00 -1.55 0.00 0.00 70.33 67.71 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 -0.64 -0.05 0.00 1.09 -0.00 -1.25 -4.70 117.00 111.45 1wey n LEU 84 Ca -0.10 1.34 0.00 0.00 -0.00 0.00 0.00 56.01 57.25 1wey n LEU 84 Cb 0.40 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 43.31 1wey n LEU 84 CO 0.34 -1.37 0.00 1.57 -0.00 0.00 0.00 177.39 177.93 1wey n HIS 85 N -5.07 0.00 -0.23 1.47 -0.00 -1.26 -4.71 115.22 105.42 1wey n HIS 85 Ca 0.20 0.00 0.18 0.00 0.46 0.00 0.00 57.72 58.56 1wey n HIS 85 Cb 0.66 0.00 0.34 0.00 -0.12 0.00 0.00 29.99 30.87 1wey n HIS 85 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 1wey n ILE 86 N 0.00 -0.30 0.00 3.57 3.06 -1.26 -4.85 119.36 119.59 1wey n ILE 86 Ca 0.00 1.47 0.00 0.00 -2.50 0.00 0.00 62.75 61.72 1wey n ILE 86 Cb 0.00 -2.30 0.00 0.00 0.54 0.00 0.00 39.64 37.88 1wey n ILE 86 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1wey n GLY 87 N -1.24 0.21 5.12 4.50 0.00 -1.26 -5.05 105.19 107.46 1wey n GLY 87 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.00 -2.76 1.61 7.64 -1.26 -4.73 113.62 114.12 1wey n SER 88 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1wey n SER 88 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wey n SER 88 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wey n SER 89 N 1.74 -7.09 -3.24 6.43 7.64 -1.26 -5.06 113.62 112.79 1wey n SER 89 Ca 0.00 0.20 0.04 0.00 1.01 0.00 0.00 58.87 60.12 1wey n SER 89 Cb 0.00 -4.77 -0.03 0.00 -1.01 0.00 0.00 64.21 58.40 1wey n SER 89 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1wey s HIS 90 N -2.70 -0.38 0.05 1.43 5.04 -1.26 -5.07 115.29 112.41 1wey s HIS 90 Ca 0.11 0.56 0.00 0.00 -1.54 0.00 0.00 55.06 54.19 1wey s HIS 90 Cb -0.03 0.19 0.00 0.00 0.04 0.00 0.00 32.58 32.78 1wey s HIS 90 CO 0.66 -0.19 0.00 1.28 -2.34 0.00 0.00 174.74 174.14 1wey n LEU 91 N 4.98 -0.17 -3.59 8.88 4.77 -1.26 -5.16 117.00 125.44 1wey n LEU 91 Ca -0.08 0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 55.96 1wey n LEU 91 Cb 0.54 0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.89 1wey n LEU 91 CO -0.07 -0.51 0.99 0.00 -1.33 0.00 0.00 177.39 176.47 1wey s ALA 92 N -2.00 -2.07 0.60 -1.18 0.00 -1.26 -5.17 121.76 110.69 1wey s ALA 92 Ca 0.00 1.41 -0.17 0.00 0.00 0.00 0.00 51.96 53.20 1wey s ALA 92 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1wey s ALA 92 CO 0.00 -0.67 1.12 -1.25 0.00 0.00 0.00 175.76 174.96 1wey s PRO 93 N -2.49 3.06 0.00 0.00 0.04 -1.26 -5.05 135.00 129.30 1wey s PRO 93 Ca 0.10 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1wey s PRO 93 Cb -0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1wey s PRO 93 CO -0.05 -1.06 0.00 -0.35 0.04 0.00 0.00 177.00 175.58 1wey n PRO 94 N -1.89 -0.75 -3.30 0.56 -0.04 -1.26 -4.68 135.00 123.65 1wey n PRO 94 Ca 0.11 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.31 1wey n PRO 94 Cb 0.51 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.00 1wey n PRO 94 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wey n ASN 95 N -2.59 -6.36 -3.21 3.54 3.02 -1.26 -4.97 115.26 103.42 1wey n ASN 95 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.35 1wey n ASN 95 Cb 0.00 -3.05 0.17 0.00 -0.61 0.00 0.00 39.78 36.29 1wey n ASN 95 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wey n PRO 96 N -0.52 -2.46 -4.07 3.52 -0.04 -1.26 -5.08 135.00 125.09 1wey n PRO 96 Ca -0.04 -1.18 -0.23 0.00 -0.04 0.00 0.00 63.50 62.01 1wey n PRO 96 Cb 0.60 -1.11 -0.06 0.00 -0.04 0.00 0.00 33.50 32.90 1wey n PRO 96 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wey s ASP 97 N -3.50 4.69 0.27 3.54 1.11 -1.26 -5.15 116.67 116.37 1wey s ASP 97 Ca 0.48 -0.79 0.12 0.00 0.18 0.00 0.00 52.55 52.54 1wey s ASP 97 Cb -0.05 -0.71 -0.05 0.00 1.07 0.00 0.00 42.92 43.18 1wey s ASP 97 CO 0.37 -0.33 -0.20 -0.75 1.18 0.00 0.00 175.17 175.44 1wey s LYS 98 N -3.86 1.65 0.15 8.23 2.36 -1.26 -5.15 119.74 121.85 1wey s LYS 98 Ca 0.38 -1.74 -0.13 0.00 -2.55 0.00 0.00 55.97 51.94 1wey s LYS 98 Cb -0.02 -1.75 0.01 0.00 -1.05 0.00 0.00 37.83 35.02 1wey s LYS 98 CO 0.23 0.33 0.35 -1.54 1.55 0.00 0.00 175.35 176.27 1wey s SER 99 N -3.43 -0.08 -0.27 1.43 1.04 -1.26 -5.18 113.70 105.96 1wey s SER 99 Ca 0.29 -0.61 -0.24 0.00 0.48 0.00 0.00 55.95 55.87 1wey s SER 99 Cb -0.05 0.46 0.08 0.00 0.10 0.00 0.00 66.02 66.61 1wey s SER 99 CO 0.14 -0.89 0.76 -0.83 0.98 0.00 0.00 173.24 173.40 1wey s GLY 100 N -2.89 -0.50 0.47 7.32 0.00 -1.26 -5.18 107.32 105.29 1wey s GLY 100 Ca 0.10 2.15 -0.08 0.00 0.00 0.00 0.00 44.72 46.89 1wey s GLY 100 CO -0.05 1.82 0.42 -1.55 0.00 0.00 0.00 173.10 173.73 1wey n PRO 101 N 2.78 -1.84 -3.61 2.90 -0.04 -1.26 -5.10 135.00 128.83 1wey n PRO 101 Ca -0.14 -0.66 -0.03 0.00 -0.04 0.00 0.00 63.50 62.62 1wey n PRO 101 Cb 0.55 -0.62 -0.01 0.00 -0.04 0.00 0.00 33.50 33.38 1wey n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wey s SER 102 N -2.63 -0.14 0.22 3.54 0.15 -1.26 -5.19 113.70 108.39 1wey s SER 102 Ca 0.27 -0.07 -0.21 0.00 0.70 0.00 0.00 55.95 56.63 1wey s SER 102 Cb -0.03 0.20 0.07 0.00 -1.71 0.00 0.00 66.02 64.55 1wey s SER 102 CO 0.21 -0.34 0.96 -0.94 1.20 0.00 0.00 173.24 174.33 1wey s SER 103 N -2.52 -0.04 0.00 5.45 1.04 -1.26 -5.39 113.70 110.97 1wey s SER 103 Ca 0.11 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1wey s SER 103 Cb 0.01 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1wey s SER 103 CO -0.04 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.66