#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 6.92 -0.06 1.61 1.04 -1.26 -5.03 113.70 116.91 1wey s SER 2 Ca 0.00 2.56 0.04 0.00 0.48 0.00 0.00 55.95 59.03 1wey s SER 2 Cb 0.00 -2.64 -0.02 0.00 0.10 0.00 0.00 66.02 63.46 1wey s SER 2 CO 0.00 -0.42 -0.18 -0.94 0.98 0.00 0.00 173.24 172.68 1wey s SER 3 N -0.58 3.70 0.00 7.02 1.04 -1.26 -5.09 113.70 118.53 1wey s SER 3 Ca 0.48 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1wey s SER 3 Cb -0.37 -0.92 0.00 0.00 0.10 0.00 0.00 66.02 64.82 1wey s SER 3 CO 0.49 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.61 1wey n GLY 4 N 2.68 3.48 0.02 7.32 0.00 -1.26 -5.10 105.19 112.33 1wey n GLY 4 Ca -0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 1wey n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wey n SER 5 N 0.00 0.49 -3.65 1.61 7.64 -1.26 -4.95 113.62 113.50 1wey n SER 5 Ca 0.00 0.13 -0.21 0.00 1.01 0.00 0.00 58.87 59.80 1wey n SER 5 Cb 0.00 -0.57 0.05 0.00 -1.01 0.00 0.00 64.21 62.68 1wey n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wey n SER 6 N -2.98 -2.04 -4.93 6.43 7.64 -1.26 -3.62 113.62 112.85 1wey n SER 6 Ca -0.03 -0.75 -0.25 0.00 1.01 0.00 0.00 58.87 58.85 1wey n SER 6 Cb 0.12 -4.37 0.03 0.00 -1.01 0.00 0.00 64.21 58.98 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 -4.20 1.61 -0.11 0.23 0.00 -1.26 -2.01 107.32 101.58 1wey s GLY 7 Ca 0.10 -0.88 -0.05 0.00 0.00 0.00 0.00 44.72 43.89 1wey s GLY 7 CO 0.79 -0.63 0.26 1.08 0.00 0.00 0.00 173.10 174.59 1wey s LEU 8 N -4.83 0.26 -0.66 0.66 1.43 0.71 -2.92 118.68 113.32 1wey s LEU 8 Ca 0.52 0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 54.01 1wey s LEU 8 Cb -0.10 0.77 0.13 0.00 0.03 0.00 0.00 46.19 47.01 1wey s LEU 8 CO 0.42 -0.18 0.73 -0.63 0.23 0.00 0.00 176.35 176.92 1wey s ILE 9 N 1.47 5.01 -0.02 -0.59 -1.09 0.99 -0.24 121.20 126.73 1wey s ILE 9 Ca -0.08 -1.40 -0.20 0.00 -2.23 0.00 0.00 60.65 56.74 1wey s ILE 9 Cb -0.11 -4.50 -0.05 0.00 -1.58 0.00 0.00 42.46 36.23 1wey s ILE 9 CO -0.09 -1.11 0.58 0.00 -1.23 0.00 0.00 174.94 173.09 1wey s ALA 10 N 2.07 3.49 -0.31 9.38 0.00 0.12 -0.44 121.76 136.07 1wey s ALA 10 Ca 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 1wey s ALA 10 Cb -0.21 -2.72 0.06 0.00 0.00 0.00 0.00 23.12 20.25 1wey s ALA 10 CO 0.01 0.16 0.01 0.00 0.00 0.00 0.00 175.76 175.94 1wey s VAL 12 N 1.22 5.42 -0.04 0.00 1.01 -1.26 -0.84 120.40 125.90 1wey s VAL 12 Ca -0.04 -0.17 0.21 0.00 0.00 0.00 0.00 61.98 61.99 1wey s VAL 12 Cb -0.20 -3.56 -0.33 0.00 0.00 0.00 0.00 36.38 32.30 1wey s VAL 12 CO -0.02 0.30 0.44 0.00 0.00 0.00 0.00 175.10 175.82 1wey n ALA 13 N 0.84 2.70 -2.40 5.51 0.00 -1.26 -4.86 120.51 121.04 1wey n ALA 13 Ca -0.10 -0.57 -0.41 0.00 0.00 0.00 0.00 53.44 52.36 1wey n ALA 13 Cb 0.52 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 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 -4.54 6.08 0.31 0.00 0.01 -1.26 -4.84 114.94 110.70 1wey s ASN 14 Ca -0.08 0.14 0.21 0.00 -0.71 0.00 0.00 52.86 52.41 1wey s ASN 14 Cb 0.13 -2.55 1.12 0.00 0.41 0.00 0.00 41.25 40.36 1wey s ASN 14 CO 0.89 -1.78 1.63 0.47 -1.51 0.00 0.00 177.10 176.80 1wey n ASP 15 N 9.73 0.53 0.18 -1.22 8.00 -1.26 -0.79 116.55 131.72 1wey n ASP 15 Ca 0.11 0.75 0.05 0.00 0.71 0.00 0.00 54.79 56.40 1wey n ASP 15 Cb 0.49 -0.81 0.28 0.00 -0.02 0.00 0.00 41.12 41.06 1wey n ASP 15 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1wey h ASP 16 N 0.00 0.00 0.33 -2.24 3.32 -1.99 -2.91 116.42 112.93 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 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1wey h ASP 16 CO 0.00 0.42 0.00 0.58 -1.72 0.00 0.00 179.24 178.52 1wey h VAL 17 N 0.00 0.00 -0.32 -1.35 2.07 -1.26 -1.39 116.25 113.99 1wey h VAL 17 Ca -0.00 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1wey h VAL 17 Cb 0.98 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1wey h VAL 17 CO 0.05 0.00 0.04 0.49 0.02 0.00 0.00 177.57 178.17 1wey n PHE 18 N -2.78 1.12 -4.36 1.57 3.01 -1.10 -4.25 117.46 110.67 1wey n PHE 18 Ca -0.01 -0.47 -0.27 0.00 1.01 0.00 0.00 57.45 57.71 1wey n PHE 18 Cb 0.14 -0.35 -0.11 0.00 -0.01 0.00 0.00 39.48 39.15 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 -0.36 3.81 0.00 4.37 0.15 -0.53 -5.02 113.70 116.12 1wey s SER 19 Ca 0.28 -0.74 0.27 0.00 0.70 0.00 0.00 55.95 56.45 1wey s SER 19 Cb 0.21 -0.47 0.85 0.00 -1.71 0.00 0.00 66.02 64.91 1wey s SER 19 CO 0.08 0.11 1.64 -1.84 1.20 0.00 0.00 173.24 174.43 1wey n GLU 20 N 0.14 0.23 0.00 5.44 0.28 -1.26 -3.88 120.64 121.58 1wey n GLU 20 Ca -0.12 -0.10 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 1wey n GLU 20 Cb 0.56 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.93 1wey n GLU 20 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1wey n SER 21 N -1.30 0.00 0.00 -1.84 7.64 -1.26 -4.87 113.62 111.99 1wey n SER 21 Ca 0.08 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1wey n SER 21 Cb 0.33 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1wey n SER 21 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wey n GLU 22 N -2.30 0.00 -0.47 1.43 1.02 -1.26 -4.94 120.64 114.11 1wey n GLU 22 Ca 0.00 0.00 0.38 0.00 -0.02 0.00 0.00 57.16 57.52 1wey n GLU 22 Cb 0.00 0.00 0.61 0.00 -0.02 0.00 0.00 31.44 32.03 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 -1.71 -0.13 0.34 2.62 -1.04 -1.26 0.01 114.28 113.11 1wey n THR 23 Ca 0.00 1.41 -0.13 0.00 -2.04 0.00 0.00 64.05 63.28 1wey n THR 23 Cb 0.00 -2.32 -0.06 0.00 -1.82 0.00 0.00 70.33 66.13 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 -0.85 -0.70 -2.82 2.43 -1.74 -3.22 114.38 107.49 1wey h ARG 24 Ca 0.76 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 60.05 1wey h ARG 24 Cb 2.68 0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 32.33 1wey h ARG 24 CO -0.24 -0.56 -0.39 0.00 -1.51 0.00 0.00 179.97 177.26 1wey n ALA 25 N -2.48 -0.39 -0.33 2.80 0.00 0.10 0.14 120.51 120.34 1wey n ALA 25 Ca -0.11 0.61 0.12 0.00 0.00 0.00 0.00 53.44 54.06 1wey n ALA 25 Cb 0.35 -0.13 0.25 0.00 0.00 0.00 0.00 19.45 19.91 1wey n ALA 25 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1wey h LYS 26 N 0.00 0.02 -0.43 0.00 6.56 -1.56 1.39 116.57 122.54 1wey h LYS 26 Ca 0.13 -0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.67 1wey h LYS 26 Cb 0.31 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.94 1wey h LYS 26 CO -0.66 0.01 0.04 0.35 -2.06 0.00 0.00 179.45 177.13 1wey h PHE 27 N 0.02 0.70 0.29 -1.35 3.04 0.12 -3.07 116.94 116.69 1wey h PHE 27 Ca 0.55 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.42 1wey h PHE 27 Cb 1.08 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.39 1wey h PHE 27 CO -0.53 0.64 -0.14 0.93 -2.02 0.00 0.00 178.31 177.18 1wey h GLU 28 N 0.64 -0.38 -1.71 1.11 5.08 0.23 -3.24 114.58 116.32 1wey h GLU 28 Ca 0.14 0.03 0.50 0.00 -1.00 0.00 0.00 59.36 59.03 1wey h GLU 28 Cb 0.34 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 1wey h GLU 28 CO 0.01 -0.25 1.22 0.45 -1.00 0.00 0.00 179.01 179.44 1wey n SER 29 N -4.72 0.02 0.20 1.42 2.88 0.13 0.95 113.62 114.50 1wey n SER 29 Ca -0.05 0.93 -0.15 0.00 -1.33 0.00 0.00 58.87 58.27 1wey n SER 29 Cb 0.16 -0.46 -0.08 0.00 -0.75 0.00 0.00 64.21 63.07 1wey n SER 29 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1wey h LEU 30 N 0.00 -0.39 0.02 2.46 3.38 -1.56 -1.02 115.31 118.21 1wey h LEU 30 Ca 0.84 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.70 1wey h LEU 30 Cb 3.29 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 44.13 1wey h LEU 30 CO -0.06 -0.28 -0.64 -0.26 0.09 0.00 0.00 178.44 177.30 1wey h PHE 31 N -0.45 0.10 -0.58 1.13 -1.00 0.45 -3.37 116.94 113.21 1wey h PHE 31 Ca -0.04 -0.07 0.12 0.00 2.81 0.00 0.00 57.97 60.78 1wey h PHE 31 Cb 0.35 -0.00 -0.11 0.00 3.61 0.00 0.00 35.95 39.79 1wey h PHE 31 CO -0.06 1.25 -0.17 -0.09 -1.61 0.00 0.00 178.31 177.63 1wey h ARG 32 N -0.87 -0.02 -1.00 1.51 1.12 -0.75 0.53 114.38 114.91 1wey h ARG 32 Ca -0.16 0.00 0.42 0.00 -1.11 0.00 0.00 59.98 59.13 1wey h ARG 32 Cb 1.24 0.01 -0.18 0.00 -0.01 0.00 0.00 29.97 31.03 1wey h ARG 32 CO -0.05 -0.02 0.54 2.41 -3.11 0.00 0.00 179.97 179.75 1wey n THR 33 N -5.41 -0.41 0.00 0.20 -1.04 -0.39 -1.75 114.28 105.47 1wey n THR 33 Ca 0.06 2.00 0.00 0.00 -2.04 0.00 0.00 64.05 64.07 1wey n THR 33 Cb 0.31 -3.25 0.00 0.00 -1.82 0.00 0.00 70.33 65.57 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 -5.22 0.00 -4.14 -1.42 4.01 0.17 -4.88 117.16 105.67 1wey n TYR 34 Ca 0.38 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.81 1wey n TYR 34 Cb 1.28 -0.45 -0.08 0.00 -0.31 0.00 0.00 39.34 39.78 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 -2.42 5.15 -0.04 7.72 2.15 -0.72 -5.02 116.67 123.48 1wey s ASP 35 Ca 0.00 -0.11 0.17 0.00 0.43 0.00 0.00 52.55 53.04 1wey s ASP 35 Cb 0.00 -1.28 -0.21 0.00 -0.30 0.00 0.00 42.92 41.13 1wey s ASP 35 CO 0.00 0.20 0.54 0.29 -0.17 0.00 0.00 175.17 176.03 1wey n LYS 36 N 0.72 0.65 -0.27 4.34 4.76 -1.26 -4.00 118.16 123.09 1wey n LYS 36 Ca -0.11 0.13 0.06 0.00 -2.87 0.00 0.00 58.31 55.51 1wey n LYS 36 Cb 0.52 -1.69 0.19 0.00 -1.84 0.00 0.00 35.03 32.20 1wey n LYS 36 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1wey n ASP 37 N -2.81 2.49 -4.66 4.39 8.00 -1.26 -4.90 116.55 117.80 1wey n ASP 37 Ca -0.17 -2.13 -0.43 0.00 0.71 0.00 0.00 54.79 52.77 1wey n ASP 37 Cb 0.94 -0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 41.66 1wey n ASP 37 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1wey s THR 38 N -1.59 4.07 0.19 -3.53 -4.23 -1.26 -4.71 115.64 104.57 1wey s THR 38 Ca 0.27 1.31 -0.15 0.00 -1.18 0.00 0.00 61.69 61.95 1wey s THR 38 Cb 0.16 -3.85 -0.07 0.00 1.34 0.00 0.00 72.50 70.08 1wey s THR 38 CO 0.16 -0.10 0.60 0.42 -0.54 0.00 0.00 174.62 175.15 1wey s THR 39 N 3.44 4.80 -0.08 3.99 -4.23 0.38 -4.89 115.64 119.05 1wey s THR 39 Ca 0.60 0.87 0.04 0.00 -1.18 0.00 0.00 61.69 62.02 1wey s THR 39 Cb -0.25 -3.73 -0.00 0.00 1.34 0.00 0.00 72.50 69.86 1wey s THR 39 CO 0.20 0.15 -0.23 -0.36 -0.54 0.00 0.00 174.62 173.84 1wey s PHE 40 N -1.57 2.38 -0.24 3.99 0.40 -1.26 -0.57 117.98 121.11 1wey s PHE 40 Ca 0.42 -0.89 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 1wey s PHE 40 Cb -0.14 -1.59 0.06 0.00 0.51 0.00 0.00 43.02 41.86 1wey s PHE 40 CO 0.20 -0.34 -0.04 -0.65 0.70 0.00 0.00 175.22 175.08 1wey s GLN 41 N 0.23 1.57 -0.18 0.44 -0.21 0.80 -4.98 119.66 117.33 1wey s GLN 41 Ca -0.14 -1.02 -0.13 0.00 0.02 0.00 0.00 55.36 54.09 1wey s GLN 41 Cb -0.16 -2.58 -0.05 0.00 1.00 0.00 0.00 33.01 31.22 1wey s GLN 41 CO 0.07 -0.63 0.28 0.71 -2.12 0.00 0.00 175.29 173.60 1wey s TYR 42 N 1.39 3.43 -0.45 0.91 1.51 -1.26 -0.19 117.35 122.68 1wey s TYR 42 Ca -0.05 0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 56.51 1wey s TYR 42 Cb -0.19 -2.34 0.12 0.00 -0.11 0.00 0.00 41.96 39.44 1wey s TYR 42 CO -0.07 0.19 0.26 -0.06 -1.11 0.00 0.00 175.55 174.76 1wey s PHE 43 N 0.64 3.54 0.34 2.71 0.08 0.00 -4.95 117.98 120.35 1wey s PHE 43 Ca 0.15 -2.37 0.02 0.00 0.12 0.00 0.00 56.93 54.85 1wey s PHE 43 Cb -0.13 -3.27 0.61 0.00 -0.57 0.00 0.00 43.02 39.66 1wey s PHE 43 CO 0.04 -0.96 2.00 -0.22 -0.10 0.00 0.00 175.22 175.98 1wey h LYS 44 N 7.98 0.87 0.08 0.44 3.64 -1.95 1.81 116.57 129.43 1wey h LYS 44 Ca -0.13 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1wey h LYS 44 Cb 1.04 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1wey h LYS 44 CO 0.73 0.58 -0.04 0.77 -2.27 0.00 0.00 179.45 179.21 1wey h SER 45 N 0.90 -0.09 0.01 4.20 0.02 -1.96 -3.23 113.55 113.39 1wey h SER 45 Ca 0.24 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1wey h SER 45 Cb -0.10 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1wey h SER 45 CO -0.05 0.55 -0.00 0.49 -1.14 0.00 0.00 176.83 176.68 1wey n PHE 46 N -4.82 0.00 -4.41 3.45 3.72 -1.14 -4.89 117.46 109.36 1wey n PHE 46 Ca -0.08 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.92 1wey n PHE 46 Cb 0.29 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 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 -0.88 -1.75 -4.67 -1.08 4.76 0.61 -4.91 118.16 110.23 1wey n LYS 47 Ca 0.23 0.24 -0.30 0.00 -2.87 0.00 0.00 58.31 55.61 1wey n LYS 47 Cb 0.14 -4.85 -0.09 0.00 -1.84 0.00 0.00 35.03 28.39 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 -7.12 2.07 -0.24 1.97 0.52 -0.92 -4.34 118.95 110.89 1wey s ARG 48 Ca 0.78 -2.27 -0.03 0.00 -0.52 0.00 0.00 55.73 53.68 1wey s ARG 48 Cb -0.44 -1.37 0.10 0.00 0.52 0.00 0.00 34.95 33.76 1wey s ARG 48 CO 0.99 -0.30 0.22 0.08 0.02 0.00 0.00 175.30 176.31 1wey s VAL 49 N -2.92 -0.30 -0.33 3.52 1.01 0.58 -0.82 120.40 121.14 1wey s VAL 49 Ca 0.17 -0.32 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 1wey s VAL 49 Cb 0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 1wey s VAL 49 CO 0.09 -0.36 0.54 -0.60 0.00 0.00 0.00 175.10 174.76 1wey s ARG 50 N 2.29 3.74 -0.23 2.72 3.52 0.73 0.13 118.95 131.84 1wey s ARG 50 Ca 0.08 -0.00 -0.05 0.00 -0.13 0.00 0.00 55.73 55.62 1wey s ARG 50 Cb -0.15 -3.77 -0.01 0.00 -1.56 0.00 0.00 34.95 29.45 1wey s ARG 50 CO -0.22 -0.60 0.00 0.42 -0.81 0.00 0.00 175.30 174.10 1wey s ILE 51 N 2.45 3.73 -0.18 4.11 1.01 0.66 -0.14 121.20 132.83 1wey s ILE 51 Ca 0.20 -0.39 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 1wey s ILE 51 Cb -0.15 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 1wey s ILE 51 CO 0.13 0.38 0.13 0.21 0.00 0.00 0.00 174.94 175.78 1wey s ASN 52 N 1.53 6.20 0.46 3.58 3.84 0.27 -0.21 114.94 130.61 1wey s ASN 52 Ca 0.06 0.26 0.07 0.00 0.21 0.00 0.00 52.86 53.46 1wey s ASN 52 Cb -0.15 -2.08 -0.00 0.00 -0.55 0.00 0.00 41.25 38.47 1wey s ASN 52 CO -0.01 0.22 0.39 -0.36 -2.79 0.00 0.00 177.10 174.55 1wey s PHE 53 N 0.12 2.35 -0.38 0.43 0.40 -0.85 -0.47 117.98 119.57 1wey s PHE 53 Ca 0.09 -0.60 0.23 0.00 -0.60 0.00 0.00 56.93 56.04 1wey s PHE 53 Cb -0.11 -2.09 0.03 0.00 0.51 0.00 0.00 43.02 41.36 1wey s PHE 53 CO -0.01 -0.24 1.02 -1.13 0.70 0.00 0.00 175.22 175.56 1wey n SER 54 N -1.61 0.66 -3.84 1.36 3.41 -1.26 -4.56 113.62 107.77 1wey n SER 54 Ca 0.03 0.10 -0.12 0.00 -0.26 0.00 0.00 58.87 58.62 1wey n SER 54 Cb 0.63 0.68 -0.11 0.00 -0.26 0.00 0.00 64.21 65.14 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 -4.67 -0.08 0.00 4.04 0.01 -1.26 -4.93 114.94 108.05 1wey s ASN 55 Ca 0.01 0.08 0.15 0.00 -0.71 0.00 0.00 52.86 52.39 1wey s ASN 55 Cb 0.12 0.27 0.88 0.00 0.41 0.00 0.00 41.25 42.93 1wey s ASN 55 CO 0.80 -0.19 1.30 -0.81 -1.51 0.00 0.00 177.10 176.69 1wey n PRO 56 N 2.34 0.48 -0.04 -0.60 -0.04 -1.26 -3.46 135.00 132.43 1wey n PRO 56 Ca -0.17 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1wey n PRO 56 Cb 0.57 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.58 1.53 3.38 -1.96 -3.37 115.31 114.30 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 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 1wey h LEU 57 CO 0.00 0.37 0.05 -1.28 0.09 0.00 0.00 178.44 177.67 1wey h SER 58 N -0.69 -0.15 -1.54 -0.43 0.87 -1.99 0.07 113.55 109.69 1wey h SER 58 Ca 0.00 0.13 0.50 0.00 -1.23 0.00 0.00 61.79 61.19 1wey h SER 58 Cb 0.04 0.21 -0.12 0.00 -0.44 0.00 0.00 62.40 62.10 1wey h SER 58 CO 0.00 -0.06 1.03 0.00 -0.53 0.00 0.00 176.83 177.28 1wey n ALA 59 N -2.69 1.50 0.16 6.23 0.00 -1.24 -0.24 120.51 124.23 1wey n ALA 59 Ca 0.08 0.79 -0.09 0.00 0.00 0.00 0.00 53.44 54.22 1wey n ALA 59 Cb 0.33 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 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 1.38 -0.47 -0.72 0.00 0.00 -1.13 -3.09 119.26 115.22 1wey h ALA 60 Ca 0.88 -0.14 0.21 0.00 0.00 0.00 0.00 54.91 55.86 1wey h ALA 60 Cb 3.07 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 21.02 1wey h ALA 60 CO -0.32 -0.46 0.53 -0.44 0.00 0.00 0.00 179.25 178.56 1wey h ASP 61 N -1.08 0.00 0.60 0.00 5.19 -0.63 0.47 116.42 120.96 1wey h ASP 61 Ca -0.05 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.29 1wey h ASP 61 Cb 0.44 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1wey h ASP 61 CO 0.08 0.00 -0.35 0.00 -3.12 0.00 0.00 179.24 175.85 1wey h ALA 62 N 1.62 1.16 0.01 3.45 0.00 -1.02 -1.74 119.26 122.74 1wey h ALA 62 Ca 0.34 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1wey h ALA 62 Cb 1.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1wey h ALA 62 CO -0.00 0.44 -0.11 -0.09 0.00 0.00 0.00 179.25 179.48 1wey h ARG 63 N 0.00 0.06 -0.81 0.00 2.43 0.01 -2.05 114.38 114.02 1wey h ARG 63 Ca -0.00 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1wey h ARG 63 Cb 0.74 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 1wey h ARG 63 CO 0.05 0.91 0.36 1.37 -1.51 0.00 0.00 179.97 181.14 1wey h LEU 64 N -0.75 1.08 -0.74 3.80 8.10 -1.46 -2.06 115.31 123.28 1wey h LEU 64 Ca -0.02 -0.15 -0.04 0.00 0.11 0.00 0.00 57.88 57.79 1wey h LEU 64 Cb 0.95 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.89 1wey h LEU 64 CO 0.02 0.93 -0.17 0.03 -4.11 0.00 0.00 178.44 175.14 1wey h ARG 65 N 1.17 0.00 0.00 0.17 3.08 -1.42 -3.46 114.38 113.92 1wey h ARG 65 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1wey h ARG 65 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1wey h ARG 65 CO -0.03 0.17 0.00 1.28 -1.07 0.00 0.00 179.97 180.32 1wey n LEU 66 N -3.23 0.00 0.00 3.04 4.77 -0.77 -4.93 117.00 115.88 1wey n LEU 66 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1wey n LEU 66 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1wey n LEU 66 CO 0.33 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.96 1wey n HIS 67 N 0.00 0.00 -0.51 -1.77 -0.00 -1.24 -3.87 115.22 107.83 1wey n HIS 67 Ca 0.00 0.00 0.39 0.00 0.46 0.00 0.00 57.72 58.57 1wey n HIS 67 Cb 0.00 0.00 0.61 0.00 -0.12 0.00 0.00 29.99 30.48 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 2.91 -0.01 -1.04 1.57 5.02 -0.25 -3.47 118.16 122.90 1wey n LYS 68 Ca 0.00 0.86 -0.41 0.00 -2.02 0.00 0.00 58.31 56.74 1wey n LYS 68 Cb 0.00 -1.91 -0.06 0.00 -0.02 0.00 0.00 35.03 33.05 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 -3.63 0.00 -1.72 -0.18 -2.24 -1.25 -3.88 114.28 101.38 1wey n THR 69 Ca 0.33 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.94 1wey n THR 69 Cb 1.47 -0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 69.57 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 0.33 1.70 -0.55 -0.78 2.02 -1.26 -3.45 118.70 116.71 1wey s GLU 70 Ca 0.63 -0.18 -0.27 0.00 0.02 0.00 0.00 54.97 55.17 1wey s GLU 70 Cb -0.88 -4.96 -0.03 0.00 0.10 0.00 0.00 34.13 28.36 1wey s GLU 70 CO 0.41 -4.62 1.91 0.12 0.02 0.00 0.00 175.26 173.10 1wey s PHE 71 N 14.44 1.62 -1.40 1.61 5.36 0.18 -2.74 117.98 137.05 1wey s PHE 71 Ca 0.82 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 1wey s PHE 71 Cb -0.07 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.57 1wey s PHE 71 CO 0.11 -2.44 0.00 1.28 -1.46 0.00 0.00 175.22 172.71 1wey n LEU 72 N 12.71 -0.69 0.00 6.12 4.32 -1.26 -1.51 117.00 136.69 1wey n LEU 72 Ca 0.23 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.54 1wey n LEU 72 Cb 0.52 -2.54 0.00 0.00 -1.62 0.00 0.00 43.42 39.77 1wey n LEU 72 CO 0.71 -0.97 0.00 0.61 -1.22 0.00 0.00 177.39 176.52 1wey n GLY 73 N -0.27 1.27 3.79 -0.72 0.00 -1.11 -5.08 105.19 103.09 1wey n GLY 73 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.03 3.95 -0.21 1.61 -0.14 -0.57 -4.91 119.74 119.44 1wey s LYS 74 Ca 0.00 0.06 -0.29 0.00 -1.36 0.00 0.00 55.97 54.38 1wey s LYS 74 Cb 0.00 -3.32 -0.01 0.00 -1.68 0.00 0.00 37.83 32.82 1wey s LYS 74 CO 0.00 0.49 1.29 -2.00 -0.76 0.00 0.00 175.35 174.37 1wey s GLU 75 N -0.29 4.13 0.11 1.68 2.12 -1.26 0.52 118.70 125.70 1wey s GLU 75 Ca 0.17 1.54 0.02 0.00 0.36 0.00 0.00 54.97 57.05 1wey s GLU 75 Cb -0.13 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 1wey s GLU 75 CO 0.05 -0.84 0.23 1.41 -0.54 0.00 0.00 175.26 175.57 1wey s MET 76 N 3.73 3.38 0.35 4.30 -2.45 -1.22 -4.62 119.30 122.77 1wey s MET 76 Ca 0.56 -0.55 0.08 0.00 -1.25 0.00 0.00 55.69 54.53 1wey s MET 76 Cb -0.20 -2.97 -0.04 0.00 1.25 0.00 0.00 34.83 32.87 1wey s MET 76 CO 0.17 0.56 0.17 0.15 1.05 0.00 0.00 175.02 177.12 1wey s LYS 77 N -2.88 2.39 -0.22 4.11 1.02 -0.02 -1.09 119.74 123.06 1wey s LYS 77 Ca 0.34 -1.55 -0.16 0.00 0.02 0.00 0.00 55.97 54.62 1wey s LYS 77 Cb -0.12 -2.19 0.06 0.00 -0.52 0.00 0.00 37.83 35.06 1wey s LYS 77 CO 0.28 0.08 0.55 -0.51 -0.92 0.00 0.00 175.35 174.83 1wey s LEU 78 N -3.87 -0.34 0.09 3.17 1.43 -1.26 -0.48 118.68 117.42 1wey s LEU 78 Ca 0.39 1.16 0.06 0.00 -1.03 0.00 0.00 54.13 54.71 1wey s LEU 78 Cb -0.02 1.88 -0.03 0.00 0.03 0.00 0.00 46.19 48.04 1wey s LEU 78 CO 0.23 -0.21 -0.17 -0.31 0.23 0.00 0.00 176.35 176.13 1wey s TYR 79 N 0.97 1.46 -0.76 0.29 1.51 0.42 -4.96 117.35 116.27 1wey s TYR 79 Ca -0.05 -0.46 -0.27 0.00 -1.01 0.00 0.00 57.07 55.28 1wey s TYR 79 Cb -0.05 -0.80 0.03 0.00 -0.11 0.00 0.00 41.96 41.02 1wey s TYR 79 CO -0.09 0.13 1.28 -0.06 -1.11 0.00 0.00 175.55 175.71 1wey s PHE 80 N -1.36 2.31 0.54 2.71 0.08 -1.26 -0.01 117.98 121.00 1wey s PHE 80 Ca 0.03 -0.13 0.48 0.00 0.12 0.00 0.00 56.93 57.43 1wey s PHE 80 Cb -0.09 -4.63 1.71 0.00 -0.57 0.00 0.00 43.02 39.44 1wey s PHE 80 CO 0.03 -2.06 1.57 0.00 -0.10 0.00 0.00 175.22 174.66 1wey n ALA 81 N 9.29 1.84 -0.41 5.36 0.00 -1.15 -1.22 120.51 134.22 1wey n ALA 81 Ca 0.05 0.69 -0.11 0.00 0.00 0.00 0.00 53.44 54.07 1wey n ALA 81 Cb 0.49 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.71 1wey n ALA 81 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1wey n GLN 82 N -4.04 -0.43 -0.88 0.00 -0.06 -1.26 -4.88 117.38 105.82 1wey n GLN 82 Ca 0.44 1.50 0.11 0.00 -2.00 0.00 0.00 57.00 57.05 1wey n GLN 82 Cb 1.97 -2.20 -0.03 0.00 -4.06 0.00 0.00 30.24 25.92 1wey n GLN 82 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1wey n THR 83 N -5.20 0.00 -1.60 1.69 -2.24 -0.36 -4.43 114.28 102.14 1wey n THR 83 Ca 0.02 0.09 -0.45 0.00 -2.27 0.00 0.00 64.05 61.43 1wey n THR 83 Cb 0.25 -0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.08 1wey n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wey n LEU 84 N -2.82 3.23 -4.83 3.22 -0.00 -1.26 -4.95 117.00 109.59 1wey n LEU 84 Ca -0.00 0.51 -0.31 0.00 -0.00 0.00 0.00 56.01 56.21 1wey n LEU 84 Cb 0.60 -1.46 0.02 0.00 -0.00 0.00 0.00 43.42 42.58 1wey n LEU 84 CO 0.01 -0.42 0.71 -1.38 -0.00 0.00 0.00 177.39 176.31 1wey s HIS 85 N 6.64 3.25 -0.80 1.47 -3.43 -1.26 -5.01 115.29 116.15 1wey s HIS 85 Ca 0.99 1.41 -0.08 0.00 -0.80 0.00 0.00 55.06 56.58 1wey s HIS 85 Cb -0.53 -2.85 0.21 0.00 -1.43 0.00 0.00 32.58 27.98 1wey s HIS 85 CO 0.42 -0.98 0.70 0.42 -2.00 0.00 0.00 174.74 173.30 1wey s ILE 86 N -2.92 4.81 -0.11 -5.38 1.01 -1.26 -5.05 121.20 112.30 1wey s ILE 86 Ca 0.58 -2.97 -0.02 0.00 0.00 0.00 0.00 60.65 58.25 1wey s ILE 86 Cb -0.13 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1wey s ILE 86 CO 0.49 -1.00 -0.04 -0.83 0.00 0.00 0.00 174.94 173.55 1wey s GLY 87 N 1.19 1.73 0.75 6.18 0.00 -1.26 -5.09 107.32 110.83 1wey s GLY 87 Ca 0.21 -0.84 -0.17 0.00 0.00 0.00 0.00 44.72 43.91 1wey s GLY 87 CO -0.07 -0.39 -0.11 -1.14 0.00 0.00 0.00 173.10 171.39 1wey n SER 88 N 2.79 -3.57 -4.81 1.64 3.41 -1.26 -4.98 113.62 106.84 1wey n SER 88 Ca -0.18 0.47 -0.22 0.00 -0.26 0.00 0.00 58.87 58.68 1wey n SER 88 Cb 0.53 -0.95 0.08 0.00 -0.26 0.00 0.00 64.21 63.61 1wey n SER 88 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wey s SER 89 N -1.20 4.69 0.31 4.04 0.15 -1.26 -5.13 113.70 115.30 1wey s SER 89 Ca 0.54 -0.45 -0.16 0.00 0.70 0.00 0.00 55.95 56.59 1wey s SER 89 Cb -0.34 -0.06 0.03 0.00 -1.71 0.00 0.00 66.02 63.94 1wey s SER 89 CO 0.69 -1.61 0.68 -1.38 1.20 0.00 0.00 173.24 172.82 1wey s HIS 90 N -2.95 0.13 0.38 3.44 -3.43 -1.26 -5.19 115.29 106.41 1wey s HIS 90 Ca 0.64 -0.62 -0.12 0.00 -0.80 0.00 0.00 55.06 54.15 1wey s HIS 90 Cb -0.06 0.58 0.04 0.00 -1.43 0.00 0.00 32.58 31.71 1wey s HIS 90 CO 0.42 -1.30 0.70 -0.51 -2.00 0.00 0.00 174.74 172.06 1wey s LEU 91 N -3.02 0.30 0.01 5.38 1.43 -1.26 -5.18 118.68 116.35 1wey s LEU 91 Ca 0.16 -1.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.05 1wey s LEU 91 Cb -0.04 2.47 -0.02 0.00 0.03 0.00 0.00 46.19 48.63 1wey s LEU 91 CO 0.10 -1.59 -0.13 0.00 0.23 0.00 0.00 176.35 174.96 1wey s ALA 92 N -2.48 1.09 0.90 4.21 0.00 -1.26 -5.15 121.76 119.07 1wey s ALA 92 Ca 0.20 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.36 1wey s ALA 92 Cb -0.04 -0.22 0.13 0.00 0.00 0.00 0.00 23.12 22.99 1wey s ALA 92 CO 0.14 0.23 1.09 -1.25 0.00 0.00 0.00 175.76 175.98 1wey s PRO 93 N -0.72 1.24 0.80 0.00 0.04 -1.26 -5.03 135.00 130.08 1wey s PRO 93 Ca 0.03 0.81 -0.11 0.00 0.04 0.00 0.00 61.00 61.77 1wey s PRO 93 Cb -0.06 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.74 1wey s PRO 93 CO 0.00 -2.25 1.09 -1.25 0.04 0.00 0.00 177.00 174.64 1wey s PRO 94 N -4.94 2.00 0.05 0.56 0.04 -1.26 -5.07 135.00 126.38 1wey s PRO 94 Ca 0.63 1.08 -0.27 0.00 0.04 0.00 0.00 61.00 62.49 1wey s PRO 94 Cb -0.18 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.58 1wey s PRO 94 CO 0.57 -1.80 0.81 -0.80 0.04 0.00 0.00 177.00 175.82 1wey s ASN 95 N -3.40 -0.41 0.93 6.66 0.01 -1.26 -5.18 114.94 112.29 1wey s ASN 95 Ca 0.62 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.74 1wey s ASN 95 Cb -0.17 0.45 0.00 0.00 0.41 0.00 0.00 41.25 41.94 1wey s ASN 95 CO 0.56 -0.74 0.00 -0.81 -1.51 0.00 0.00 177.10 174.60 1wey n PRO 96 N -0.30 -0.87 0.09 -0.60 -0.04 -1.26 -4.98 135.00 127.05 1wey n PRO 96 Ca -0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.31 1wey n PRO 96 Cb 0.63 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.06 1wey n PRO 96 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1wey h ASP 97 N -0.94 -0.31 -0.41 3.54 5.19 -2.06 -3.45 116.42 117.98 1wey h ASP 97 Ca 0.00 0.02 0.14 0.00 -0.62 0.00 0.00 57.03 56.57 1wey h ASP 97 Cb 0.00 0.09 -0.19 0.00 0.18 0.00 0.00 39.33 39.42 1wey h ASP 97 CO 0.00 -0.18 -0.13 -0.75 -3.12 0.00 0.00 179.24 175.06 1wey s LYS 98 N -3.69 0.27 -0.84 3.56 2.20 -1.26 -5.09 119.74 114.89 1wey s LYS 98 Ca -0.04 0.09 -0.25 0.00 -0.36 0.00 0.00 55.97 55.40 1wey s LYS 98 Cb 0.01 0.08 -0.09 0.00 -1.51 0.00 0.00 37.83 36.31 1wey s LYS 98 CO 0.14 -0.45 2.19 -1.54 -0.36 0.00 0.00 175.35 175.33 1wey s SER 99 N 2.53 4.48 0.00 1.43 1.04 -1.26 -4.75 113.70 117.17 1wey s SER 99 Ca 0.20 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1wey s SER 99 Cb -0.02 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1wey s SER 99 CO -0.19 -3.35 0.00 0.61 0.98 0.00 0.00 173.24 171.29 1wey n GLY 100 N 6.83 2.28 3.77 7.32 0.00 -1.26 -5.17 105.19 118.96 1wey n GLY 100 Ca 0.44 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 1.20 2.34 -0.18 1.61 0.04 -1.26 -5.05 135.00 133.70 1wey s PRO 101 Ca 0.00 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.25 1wey s PRO 101 Cb 0.00 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.66 1wey s PRO 101 CO 0.00 -1.58 -0.18 -1.12 0.04 0.00 0.00 177.00 174.15 1wey s SER 102 N -3.26 3.09 0.90 6.66 0.01 -1.26 -5.13 113.70 114.71 1wey s SER 102 Ca 0.62 -0.65 -0.09 0.00 1.31 0.00 0.00 55.95 57.14 1wey s SER 102 Cb -0.18 -1.42 0.15 0.00 0.21 0.00 0.00 66.02 64.79 1wey s SER 102 CO 0.54 -0.02 0.94 -1.20 0.41 0.00 0.00 173.24 173.91 1wey n SER 103 N 4.64 0.37 0.00 2.44 7.64 -1.26 -5.34 113.62 122.11 1wey n SER 103 Ca -0.20 -1.52 0.00 0.00 1.01 0.00 0.00 58.87 58.16 1wey n SER 103 Cb 0.50 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1wey n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64