#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 1.21 -4.93 1.61 3.41 -1.26 -4.97 113.62 108.68 1wey n SER 2 Ca 0.00 1.11 -0.25 0.00 -0.26 0.00 0.00 58.87 59.47 1wey n SER 2 Cb 0.00 -1.31 0.01 0.00 -0.26 0.00 0.00 64.21 62.65 1wey n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wey s SER 3 N -0.63 6.01 0.00 4.04 0.15 -1.26 -4.94 113.70 117.07 1wey s SER 3 Ca 0.60 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1wey s SER 3 Cb -0.64 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1wey s SER 3 CO 0.59 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1wey n GLY 4 N -2.18 -0.64 3.82 9.45 0.00 -1.26 -5.13 105.19 109.25 1wey n GLY 4 Ca 0.01 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 1wey n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wey s SER 5 N -4.00 6.77 -0.30 1.61 0.15 -1.26 -4.95 113.70 111.72 1wey s SER 5 Ca 0.00 0.92 0.02 0.00 0.70 0.00 0.00 55.95 57.59 1wey s SER 5 Cb 0.00 -2.25 0.08 0.00 -1.71 0.00 0.00 66.02 62.14 1wey s SER 5 CO 0.00 0.29 1.05 -1.54 1.20 0.00 0.00 173.24 174.23 1wey n SER 6 N 2.08 -1.12 -4.80 5.45 3.41 -1.26 -4.52 113.62 112.87 1wey n SER 6 Ca -0.13 -1.66 -0.22 0.00 -0.26 0.00 0.00 58.87 56.60 1wey n SER 6 Cb 0.52 0.95 -0.05 0.00 -0.26 0.00 0.00 64.21 65.37 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 -0.23 1.74 -0.04 5.00 0.00 -1.25 -1.26 107.32 111.28 1wey s GLY 7 Ca 0.04 -1.65 -0.05 0.00 0.00 0.00 0.00 44.72 43.06 1wey s GLY 7 CO -0.02 -1.61 0.14 1.08 0.00 0.00 0.00 173.10 172.69 1wey s LEU 8 N -3.90 1.51 -0.46 0.66 1.43 -0.87 -1.69 118.68 115.35 1wey s LEU 8 Ca 0.38 0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.54 1wey s LEU 8 Cb -0.05 0.52 0.12 0.00 0.03 0.00 0.00 46.19 46.81 1wey s LEU 8 CO 0.25 -0.14 0.31 -0.63 0.23 0.00 0.00 176.35 176.37 1wey s ILE 9 N -0.35 3.93 -0.15 -0.59 -1.09 0.59 -1.05 121.20 122.48 1wey s ILE 9 Ca -0.04 -1.92 -0.17 0.00 -2.23 0.00 0.00 60.65 56.29 1wey s ILE 9 Cb -0.03 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1wey s ILE 9 CO 0.00 -0.76 0.42 0.00 -1.23 0.00 0.00 174.94 173.38 1wey s ALA 10 N 1.23 3.53 -0.30 9.38 0.00 -0.17 -0.09 121.76 135.34 1wey s ALA 10 Ca 0.07 -0.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 1wey s ALA 10 Cb -0.25 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.28 1wey s ALA 10 CO -0.02 -0.09 0.09 0.00 0.00 0.00 0.00 175.76 175.74 1wey s VAL 12 N 1.52 3.97 -0.26 0.00 1.01 -1.10 -1.39 120.40 124.15 1wey s VAL 12 Ca 0.03 -0.36 0.22 0.00 0.00 0.00 0.00 61.98 61.87 1wey s VAL 12 Cb -0.17 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.57 1wey s VAL 12 CO 0.03 0.56 1.13 0.00 0.00 0.00 0.00 175.10 176.82 1wey h ALA 13 N 5.82 0.60 -1.47 5.51 0.00 -1.87 -3.44 119.26 124.40 1wey h ALA 13 Ca -0.42 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 53.88 1wey h ALA 13 Cb 1.18 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1wey h ALA 13 CO 0.57 0.08 1.14 -0.80 0.00 0.00 0.00 179.25 180.25 1wey s ASN 14 N -5.56 5.94 0.32 0.00 -0.87 -1.26 -4.83 114.94 108.68 1wey s ASN 14 Ca 0.01 0.00 0.22 0.00 -1.57 0.00 0.00 52.86 51.51 1wey s ASN 14 Cb 0.09 -2.55 1.16 0.00 -0.02 0.00 0.00 41.25 39.93 1wey s ASN 14 CO 0.77 -1.92 1.66 0.47 -2.57 0.00 0.00 177.10 175.52 1wey n ASP 15 N 10.23 0.57 0.06 -1.22 9.92 -1.26 -1.27 116.55 133.57 1wey n ASP 15 Ca 0.10 0.76 -0.07 0.00 -0.53 0.00 0.00 54.79 55.05 1wey n ASP 15 Cb 0.50 -0.83 0.10 0.00 -0.64 0.00 0.00 41.12 40.24 1wey n ASP 15 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1wey h ASP 16 N 0.00 0.39 0.00 -2.24 3.32 -1.98 -2.86 116.42 113.05 1wey h ASP 16 Ca 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1wey h ASP 16 Cb 0.02 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1wey h ASP 16 CO 0.00 0.90 0.02 0.58 -1.72 0.00 0.00 179.24 179.01 1wey h VAL 17 N 0.26 0.00 -0.52 -1.35 2.07 -1.50 0.03 116.25 115.25 1wey h VAL 17 Ca -0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 1wey h VAL 17 Cb 1.11 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 31.47 1wey h VAL 17 CO 0.10 0.00 0.17 0.49 0.02 0.00 0.00 177.57 178.35 1wey n PHE 18 N -2.56 1.75 -4.30 1.57 3.01 -1.08 -3.91 117.46 111.94 1wey n PHE 18 Ca -0.02 -0.86 -0.27 0.00 1.01 0.00 0.00 57.45 57.31 1wey n PHE 18 Cb 0.06 -0.52 -0.09 0.00 -0.01 0.00 0.00 39.48 38.92 1wey n PHE 18 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1wey s SER 19 N -0.58 4.23 0.00 4.37 1.04 -0.00 -5.02 113.70 117.73 1wey s SER 19 Ca 0.40 -0.59 0.28 0.00 0.48 0.00 0.00 55.95 56.51 1wey s SER 19 Cb 0.31 -0.70 0.99 0.00 0.10 0.00 0.00 66.02 66.72 1wey s SER 19 CO 0.10 0.10 1.75 -1.84 0.98 0.00 0.00 173.24 174.33 1wey n GLU 20 N 0.01 0.04 -0.03 4.02 0.28 -1.26 -3.95 120.64 119.75 1wey n GLU 20 Ca -0.11 -0.01 -0.02 0.00 -0.16 0.00 0.00 57.16 56.86 1wey n GLU 20 Cb 0.56 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.91 1wey n GLU 20 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1wey h SER 21 N 0.03 -0.31 0.00 -1.84 0.02 -1.95 -3.46 113.55 106.04 1wey h SER 21 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1wey h SER 21 Cb 0.49 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1wey h SER 21 CO 0.00 -0.06 0.00 1.21 -1.14 0.00 0.00 176.83 176.84 1wey n GLU 22 N -3.18 0.00 -0.26 3.45 4.07 -1.26 -4.97 120.64 118.48 1wey n GLU 22 Ca -0.00 0.00 0.23 0.00 -0.06 0.00 0.00 57.16 57.33 1wey n GLU 22 Cb 0.05 0.00 0.43 0.00 -0.06 0.00 0.00 31.44 31.86 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 -0.85 -0.34 -0.16 6.31 -1.04 -1.26 0.16 114.28 117.10 1wey n THR 23 Ca 0.00 1.65 -0.02 0.00 -2.04 0.00 0.00 64.05 63.64 1wey n THR 23 Cb 0.00 -2.62 0.07 0.00 -1.82 0.00 0.00 70.33 65.96 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 0.22 -0.64 -2.82 2.43 -1.69 -1.59 114.38 110.29 1wey h ARG 24 Ca 0.64 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.92 1wey h ARG 24 Cb 1.64 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 31.05 1wey h ARG 24 CO -0.64 0.15 0.16 0.00 -1.51 0.00 0.00 179.97 178.12 1wey h ALA 25 N 1.41 0.79 -1.01 2.80 0.00 0.13 0.10 119.26 123.48 1wey h ALA 25 Ca 0.26 0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.56 1wey h ALA 25 Cb 0.36 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1wey h ALA 25 CO -0.35 -0.30 0.66 0.87 0.00 0.00 0.00 179.25 180.14 1wey h LYS 26 N 0.29 0.34 0.16 0.00 1.57 -1.26 0.18 116.57 117.84 1wey h LYS 26 Ca 0.34 -0.02 -0.30 0.00 -1.87 0.00 0.00 60.65 58.80 1wey h LYS 26 Cb 0.52 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.78 1wey h LYS 26 CO -0.42 0.22 -1.30 0.35 -0.57 0.00 0.00 179.45 177.73 1wey h PHE 27 N 0.35 0.82 0.71 -1.35 3.04 -0.79 -3.34 116.94 116.39 1wey h PHE 27 Ca 0.55 -0.56 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1wey h PHE 27 Cb 1.48 -0.05 0.01 0.00 2.56 0.00 0.00 35.95 39.95 1wey h PHE 27 CO -0.00 1.42 -0.34 0.93 -2.02 0.00 0.00 178.31 178.30 1wey h GLU 28 N 0.17 -0.92 -0.91 1.11 5.08 0.20 -2.98 114.58 116.33 1wey h GLU 28 Ca -0.19 0.06 0.37 0.00 -1.00 0.00 0.00 59.36 58.60 1wey h GLU 28 Cb 2.00 0.21 -0.15 0.00 0.50 0.00 0.00 28.75 31.31 1wey h GLU 28 CO 0.24 -0.59 0.51 0.45 -1.00 0.00 0.00 179.01 178.61 1wey n SER 29 N -5.44 0.28 0.02 1.42 2.88 0.18 0.36 113.62 113.33 1wey n SER 29 Ca -0.13 1.39 -0.13 0.00 -1.33 0.00 0.00 58.87 58.67 1wey n SER 29 Cb 0.39 -0.68 -0.06 0.00 -0.75 0.00 0.00 64.21 63.11 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 -1.31 0.00 2.46 3.38 -1.64 0.17 115.31 118.37 1wey h LEU 30 Ca 0.73 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.83 1wey h LEU 30 Cb 2.01 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 43.27 1wey h LEU 30 CO -0.62 -0.44 -0.25 -0.26 0.09 0.00 0.00 178.44 176.96 1wey h PHE 31 N -0.53 0.00 -0.92 1.13 -1.00 -0.20 -3.35 116.94 112.08 1wey h PHE 31 Ca 0.06 0.00 0.27 0.00 2.81 0.00 0.00 57.97 61.11 1wey h PHE 31 Cb 0.64 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.05 1wey h PHE 31 CO -0.46 0.97 0.30 -0.09 -1.61 0.00 0.00 178.31 177.42 1wey h ARG 32 N -1.00 0.20 -0.82 1.51 1.12 -0.31 0.29 114.38 115.37 1wey h ARG 32 Ca -0.07 -0.01 0.20 0.00 -1.11 0.00 0.00 59.98 58.99 1wey h ARG 32 Cb 0.95 -0.04 -0.12 0.00 -0.01 0.00 0.00 29.97 30.74 1wey h ARG 32 CO -0.04 0.13 0.24 1.15 -3.11 0.00 0.00 179.97 178.35 1wey h THR 33 N 0.20 0.45 0.00 0.20 2.02 -0.79 -2.91 112.91 112.08 1wey h THR 33 Ca 0.61 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.69 1wey h THR 33 Cb 1.30 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1wey h THR 33 CO -0.68 0.05 0.00 -1.22 0.37 0.00 0.00 175.52 174.05 1wey n TYR 34 N -5.15 0.00 -4.20 3.16 4.01 1.00 -4.82 117.16 111.16 1wey n TYR 34 Ca 0.18 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.61 1wey n TYR 34 Cb 0.57 -0.47 -0.08 0.00 -0.31 0.00 0.00 39.34 39.05 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 -2.18 5.14 0.17 7.72 -1.08 -1.10 -5.01 116.67 120.33 1wey s ASP 35 Ca 0.00 -0.07 0.23 0.00 -0.52 0.00 0.00 52.55 52.19 1wey s ASP 35 Cb 0.00 -1.31 0.03 0.00 -1.46 0.00 0.00 42.92 40.19 1wey s ASP 35 CO 0.00 0.23 1.05 0.29 0.52 0.00 0.00 175.17 177.26 1wey n LYS 36 N 0.98 0.54 -0.85 4.34 5.02 -1.26 -3.84 118.16 123.09 1wey n LYS 36 Ca -0.12 0.09 0.07 0.00 -2.02 0.00 0.00 58.31 56.33 1wey n LYS 36 Cb 0.52 -1.78 0.38 0.00 -0.02 0.00 0.00 35.03 34.14 1wey n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wey n ASP 37 N -2.53 5.47 -4.60 4.39 9.92 -1.26 -4.94 116.55 123.00 1wey n ASP 37 Ca 0.00 -2.97 -0.43 0.00 -0.53 0.00 0.00 54.79 50.87 1wey n ASP 37 Cb 0.53 -0.67 -0.02 0.00 -0.64 0.00 0.00 41.12 40.31 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 -2.80 3.96 0.13 -3.53 -4.23 -1.25 -4.61 115.64 103.32 1wey s THR 38 Ca 0.53 0.99 -0.29 0.00 -1.18 0.00 0.00 61.69 61.74 1wey s THR 38 Cb 0.41 -4.26 -0.06 0.00 1.34 0.00 0.00 72.50 69.93 1wey s THR 38 CO 0.15 -0.77 0.93 0.42 -0.54 0.00 0.00 174.62 174.80 1wey s THR 39 N 5.23 4.43 -0.11 3.99 -4.23 0.73 -4.87 115.64 120.81 1wey s THR 39 Ca 0.59 2.01 0.00 0.00 -1.18 0.00 0.00 61.69 63.12 1wey s THR 39 Cb -0.13 -4.29 -0.02 0.00 1.34 0.00 0.00 72.50 69.40 1wey s THR 39 CO 0.32 0.37 -0.11 -0.36 -0.54 0.00 0.00 174.62 174.29 1wey s PHE 40 N -0.29 2.83 -0.26 3.99 0.40 -1.26 -0.35 117.98 123.04 1wey s PHE 40 Ca 0.44 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.34 1wey s PHE 40 Cb -0.24 -1.80 0.08 0.00 0.51 0.00 0.00 43.02 41.57 1wey s PHE 40 CO 0.29 -0.05 0.05 -1.14 0.70 0.00 0.00 175.22 175.08 1wey s GLN 41 N 0.00 0.88 0.01 0.44 2.00 0.93 -4.97 119.66 118.95 1wey s GLN 41 Ca -0.03 -0.89 -0.24 0.00 -2.00 0.00 0.00 55.36 52.21 1wey s GLN 41 Cb -0.14 -2.18 -0.05 0.00 0.80 0.00 0.00 33.01 31.44 1wey s GLN 41 CO 0.04 -0.81 0.72 0.71 -0.50 0.00 0.00 175.29 175.44 1wey s TYR 42 N 1.63 3.69 -0.43 1.67 1.51 -1.26 -0.02 117.35 124.13 1wey s TYR 42 Ca 0.04 1.36 -0.07 0.00 -1.01 0.00 0.00 57.07 57.39 1wey s TYR 42 Cb -0.18 -2.77 0.10 0.00 -0.11 0.00 0.00 41.96 39.00 1wey s TYR 42 CO -0.16 0.24 0.26 -0.06 -1.11 0.00 0.00 175.55 174.72 1wey s PHE 43 N 0.13 3.44 0.00 2.71 0.08 -0.14 -4.97 117.98 119.23 1wey s PHE 43 Ca 0.37 -1.92 -0.05 0.00 0.12 0.00 0.00 56.93 55.45 1wey s PHE 43 Cb -0.19 -3.18 -0.22 0.00 -0.57 0.00 0.00 43.02 38.86 1wey s PHE 43 CO 0.21 -0.93 3.24 1.17 -0.10 0.00 0.00 175.22 178.80 1wey n LYS 44 N 4.81 1.76 0.00 0.44 4.81 -1.26 -2.44 118.16 126.28 1wey n LYS 44 Ca -0.07 -0.82 0.00 0.00 -0.87 0.00 0.00 58.31 56.54 1wey n LYS 44 Cb 0.42 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.61 1wey n LYS 44 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1wey n SER 45 N 2.42 0.00 -0.48 3.14 7.64 -1.26 -4.91 113.62 120.16 1wey n SER 45 Ca 0.35 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.30 1wey n SER 45 Cb 0.81 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 64.18 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 -1.17 0.44 -3.92 1.43 3.72 -1.18 -4.97 117.46 111.82 1wey n PHE 46 Ca 0.00 -0.76 -0.30 0.00 -0.05 0.00 0.00 57.45 56.34 1wey n PHE 46 Cb 0.00 -0.16 -0.05 0.00 -0.94 0.00 0.00 39.48 38.33 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 -0.52 -1.83 -4.38 -1.08 4.76 -1.02 -4.90 118.16 109.19 1wey n LYS 47 Ca 0.14 0.18 -0.24 0.00 -2.87 0.00 0.00 58.31 55.53 1wey n LYS 47 Cb 0.62 -4.78 -0.09 0.00 -1.84 0.00 0.00 35.03 28.94 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 -6.57 2.01 -0.19 1.97 0.52 -1.24 -2.72 118.95 112.73 1wey s ARG 48 Ca 0.59 -1.61 -0.03 0.00 -0.52 0.00 0.00 55.73 54.16 1wey s ARG 48 Cb -0.34 -1.97 0.06 0.00 0.52 0.00 0.00 34.95 33.22 1wey s ARG 48 CO 0.73 0.32 0.04 0.08 0.02 0.00 0.00 175.30 176.49 1wey s VAL 49 N -2.43 0.49 -0.44 3.52 1.01 0.34 -0.96 120.40 121.93 1wey s VAL 49 Ca 0.31 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 1wey s VAL 49 Cb -0.05 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1wey s VAL 49 CO 0.18 -0.21 0.98 -0.13 0.00 0.00 0.00 175.10 175.92 1wey s ARG 50 N 1.88 3.64 -0.41 2.72 0.52 0.97 -1.00 118.95 127.26 1wey s ARG 50 Ca -0.01 0.35 -0.07 0.00 -0.52 0.00 0.00 55.73 55.48 1wey s ARG 50 Cb -0.17 -3.90 0.09 0.00 0.52 0.00 0.00 34.95 31.50 1wey s ARG 50 CO -0.08 -1.20 0.24 0.42 0.02 0.00 0.00 175.30 174.69 1wey s ILE 51 N 3.86 3.82 -0.10 1.52 1.01 -0.21 -0.05 121.20 131.05 1wey s ILE 51 Ca 0.40 -1.68 -0.21 0.00 0.00 0.00 0.00 60.65 59.16 1wey s ILE 51 Cb -0.10 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1wey s ILE 51 CO 0.26 -0.58 0.61 0.21 0.00 0.00 0.00 174.94 175.44 1wey s ASN 52 N 2.06 6.85 0.50 3.58 3.84 0.53 -2.06 114.94 130.24 1wey s ASN 52 Ca 0.04 1.02 0.08 0.00 0.21 0.00 0.00 52.86 54.21 1wey s ASN 52 Cb -0.23 -2.36 0.03 0.00 -0.55 0.00 0.00 41.25 38.14 1wey s ASN 52 CO -0.01 -0.09 0.53 -0.36 -2.79 0.00 0.00 177.10 174.38 1wey s PHE 53 N 0.87 2.02 -0.86 0.43 0.40 -0.39 -0.19 117.98 120.25 1wey s PHE 53 Ca 0.32 -0.65 0.23 0.00 -0.60 0.00 0.00 56.93 56.23 1wey s PHE 53 Cb -0.17 -2.13 0.13 0.00 0.51 0.00 0.00 43.02 41.36 1wey s PHE 53 CO 0.14 -0.56 1.12 -1.13 0.70 0.00 0.00 175.22 175.50 1wey n SER 54 N -1.85 0.68 -3.68 1.36 3.41 -1.26 -4.78 113.62 107.50 1wey n SER 54 Ca 0.06 -0.46 -0.14 0.00 -0.26 0.00 0.00 58.87 58.08 1wey n SER 54 Cb 0.62 0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 65.17 1wey n SER 54 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wey s ASN 55 N -3.32 -0.30 0.54 4.04 2.20 -1.26 -4.91 114.94 111.92 1wey s ASN 55 Ca 0.07 0.13 0.34 0.00 -0.94 0.00 0.00 52.86 52.46 1wey s ASN 55 Cb 0.16 0.40 1.40 0.00 -2.00 0.00 0.00 41.25 41.21 1wey s ASN 55 CO 0.79 -0.58 1.99 1.55 -2.94 0.00 0.00 177.10 177.90 1wey h PRO 56 N 3.30 0.00 0.00 3.55 0.13 -1.91 -3.25 132.00 133.82 1wey h PRO 56 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1wey h PRO 56 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wey h PRO 56 CO 0.42 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.47 1wey n LEU 57 N -3.05 0.00 -0.29 1.56 4.77 -1.26 -3.17 117.00 115.56 1wey n LEU 57 Ca 0.01 0.97 0.11 0.00 -0.03 0.00 0.00 56.01 57.06 1wey n LEU 57 Cb 0.29 -0.47 0.27 0.00 -2.33 0.00 0.00 43.42 41.19 1wey n LEU 57 CO 0.26 -0.47 1.02 -1.28 -1.33 0.00 0.00 177.39 175.60 1wey h SER 58 N 0.00 0.26 -1.10 -1.43 0.87 -2.01 0.52 113.55 110.66 1wey h SER 58 Ca 0.00 0.15 0.43 0.00 -1.23 0.00 0.00 61.79 61.14 1wey h SER 58 Cb 0.00 0.15 -0.17 0.00 -0.44 0.00 0.00 62.40 61.94 1wey h SER 58 CO 0.00 -0.00 0.63 0.00 -0.53 0.00 0.00 176.83 176.93 1wey n ALA 59 N -2.54 1.12 0.06 6.23 0.00 -1.19 -0.75 120.51 123.43 1wey n ALA 59 Ca 0.20 0.97 -0.03 0.00 0.00 0.00 0.00 53.44 54.57 1wey n ALA 59 Cb 0.60 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 1.86 -0.29 -0.99 0.00 0.00 -0.88 -3.20 119.26 115.76 1wey h ALA 60 Ca 0.85 -0.05 0.31 0.00 0.00 0.00 0.00 54.91 56.03 1wey h ALA 60 Cb 2.39 0.08 -0.18 0.00 0.00 0.00 0.00 17.79 20.08 1wey h ALA 60 CO -0.67 -0.28 0.19 -0.44 0.00 0.00 0.00 179.25 178.04 1wey h ASP 61 N -0.69 -0.22 -0.10 0.00 3.32 -1.17 0.39 116.42 117.95 1wey h ASP 61 Ca -0.02 0.27 0.04 0.00 0.02 0.00 0.00 57.03 57.34 1wey h ASP 61 Cb 0.16 0.41 -0.05 0.00 0.22 0.00 0.00 39.33 40.07 1wey h ASP 61 CO 0.03 -0.37 -0.17 0.00 -1.72 0.00 0.00 179.24 177.02 1wey h ALA 62 N 1.98 -0.12 0.02 3.45 0.00 -1.05 0.90 119.26 124.43 1wey h ALA 62 Ca 0.67 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.65 1wey h ALA 62 Cb 1.51 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.59 1wey h ALA 62 CO -0.86 -0.63 -0.34 -0.09 0.00 0.00 0.00 179.25 177.32 1wey h ARG 63 N -0.23 -0.49 -0.67 0.00 2.43 -0.23 0.12 114.38 115.31 1wey h ARG 63 Ca 0.09 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1wey h ARG 63 Cb 0.35 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1wey h ARG 63 CO -0.24 -0.32 0.45 1.37 -1.51 0.00 0.00 179.97 179.71 1wey h LEU 64 N -0.50 0.58 -0.09 3.80 8.10 -1.17 0.26 115.31 126.28 1wey h LEU 64 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.05 1wey h LEU 64 Cb 0.58 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.68 1wey h LEU 64 CO -0.27 0.37 -0.01 0.54 -4.11 0.00 0.00 178.44 174.97 1wey n ARG 65 N -4.48 0.90 0.00 0.17 1.74 0.29 -4.86 116.66 110.41 1wey n ARG 65 Ca 0.10 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1wey n ARG 65 Cb 0.25 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 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 -0.97 0.00 0.00 0.55 4.77 0.90 -5.01 117.00 117.25 1wey n LEU 66 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1wey n LEU 66 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1wey n LEU 66 CO 0.19 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.82 1wey n HIS 67 N 0.00 0.00 -0.56 -1.77 -0.00 -1.23 -3.89 115.22 107.77 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 5.37 0.00 -1.03 1.57 4.01 -0.18 -3.40 118.16 124.49 1wey n LYS 68 Ca 0.00 0.86 -0.40 0.00 -0.51 0.00 0.00 58.31 58.26 1wey n LYS 68 Cb 0.00 -2.00 -0.06 0.00 -0.51 0.00 0.00 35.03 32.46 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 -3.50 0.00 -1.68 -0.18 -2.24 -1.25 -3.73 114.28 101.70 1wey n THR 69 Ca 0.35 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.93 1wey n THR 69 Cb 1.60 -0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.60 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 1.03 1.88 -0.63 -0.78 2.02 -1.26 -3.21 118.70 117.75 1wey s GLU 70 Ca 0.62 0.48 -0.27 0.00 0.02 0.00 0.00 54.97 55.82 1wey s GLU 70 Cb -0.88 -4.79 0.01 0.00 0.10 0.00 0.00 34.13 28.57 1wey s GLU 70 CO 0.45 -4.03 1.48 0.12 0.02 0.00 0.00 175.26 173.30 1wey s PHE 71 N 13.35 2.13 -2.03 1.61 5.36 0.75 -3.40 117.98 135.74 1wey s PHE 71 Ca 0.88 0.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.23 1wey s PHE 71 Cb -0.12 -4.40 0.00 0.00 -0.34 0.00 0.00 43.02 38.16 1wey s PHE 71 CO 0.09 -2.10 0.00 1.28 -1.46 0.00 0.00 175.22 173.03 1wey n LEU 72 N 10.28 -1.57 0.00 6.12 4.32 -1.26 -1.18 117.00 133.71 1wey n LEU 72 Ca 0.11 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.48 1wey n LEU 72 Cb 0.50 -2.79 0.00 0.00 -1.62 0.00 0.00 43.42 39.51 1wey n LEU 72 CO 0.71 -0.85 0.00 0.61 -1.22 0.00 0.00 177.39 176.64 1wey n GLY 73 N -0.63 2.92 3.55 -0.72 0.00 -1.22 -5.06 105.19 104.03 1wey n GLY 73 Ca -0.21 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 -0.56 3.84 0.01 1.61 -0.14 -0.33 -4.96 119.74 119.22 1wey s LYS 74 Ca 0.00 -0.39 -0.30 0.00 -1.36 0.00 0.00 55.97 53.92 1wey s LYS 74 Cb 0.00 -3.41 -0.07 0.00 -1.68 0.00 0.00 37.83 32.67 1wey s LYS 74 CO 0.00 -0.06 1.66 -2.00 -0.76 0.00 0.00 175.35 174.19 1wey s GLU 75 N 1.34 4.19 0.15 1.68 2.12 -1.26 -0.18 118.70 126.74 1wey s GLU 75 Ca 0.06 2.27 0.03 0.00 0.36 0.00 0.00 54.97 57.69 1wey s GLU 75 Cb -0.15 -3.81 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 1wey s GLU 75 CO 0.05 -0.79 0.24 1.41 -0.54 0.00 0.00 175.26 175.63 1wey s MET 76 N 3.36 3.28 0.29 4.30 -2.45 -1.20 -4.69 119.30 122.20 1wey s MET 76 Ca 0.74 -0.67 0.10 0.00 -1.25 0.00 0.00 55.69 54.61 1wey s MET 76 Cb -0.37 -2.88 -0.05 0.00 1.25 0.00 0.00 34.83 32.79 1wey s MET 76 CO 0.32 0.51 -0.04 0.15 1.05 0.00 0.00 175.02 177.01 1wey s LYS 77 N -3.16 2.10 -0.17 4.11 1.02 -0.49 -1.01 119.74 122.14 1wey s LYS 77 Ca 0.33 -1.59 -0.14 0.00 0.02 0.00 0.00 55.97 54.59 1wey s LYS 77 Cb -0.11 -2.01 0.05 0.00 -0.52 0.00 0.00 37.83 35.24 1wey s LYS 77 CO 0.27 0.29 0.44 -0.51 -0.92 0.00 0.00 175.35 174.92 1wey s LEU 78 N -3.65 0.17 0.08 3.17 1.43 -1.26 -0.02 118.68 118.60 1wey s LEU 78 Ca 0.32 0.91 0.07 0.00 -1.03 0.00 0.00 54.13 54.40 1wey s LEU 78 Cb -0.04 1.50 -0.03 0.00 0.03 0.00 0.00 46.19 47.65 1wey s LEU 78 CO 0.19 -0.17 -0.19 -0.31 0.23 0.00 0.00 176.35 176.10 1wey s TYR 79 N 0.57 1.66 -0.51 0.29 1.51 0.87 -4.96 117.35 116.78 1wey s TYR 79 Ca -0.03 -0.41 -0.28 0.00 -1.01 0.00 0.00 57.07 55.35 1wey s TYR 79 Cb -0.04 -0.94 0.01 0.00 -0.11 0.00 0.00 41.96 40.88 1wey s TYR 79 CO -0.03 0.14 1.49 -0.06 -1.11 0.00 0.00 175.55 175.97 1wey s PHE 80 N -1.06 2.21 -0.74 2.71 0.08 -1.26 -0.30 117.98 119.63 1wey s PHE 80 Ca 0.05 0.56 -0.26 0.00 0.12 0.00 0.00 56.93 57.40 1wey s PHE 80 Cb -0.09 -4.33 -0.03 0.00 -0.57 0.00 0.00 43.02 38.00 1wey s PHE 80 CO 0.03 -2.09 1.87 0.00 -0.10 0.00 0.00 175.22 174.92 1wey s ALA 81 N 6.27 2.01 -0.04 5.36 0.00 -0.68 -4.67 121.76 129.99 1wey s ALA 81 Ca 0.58 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 1wey s ALA 81 Cb -0.13 -4.40 -0.03 0.00 0.00 0.00 0.00 23.12 18.56 1wey s ALA 81 CO 0.27 -4.22 -0.12 0.94 0.00 0.00 0.00 175.76 172.63 1wey n GLN 82 N 9.06 0.19 -4.57 0.00 0.00 -1.26 -3.76 117.38 117.04 1wey n GLN 82 Ca 0.28 0.08 -0.26 0.00 -0.00 0.00 0.00 57.00 57.09 1wey n GLN 82 Cb 0.50 -0.82 -0.11 0.00 0.00 0.00 0.00 30.24 29.81 1wey n GLN 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1wey s THR 83 N -2.24 1.87 0.00 1.69 -4.23 -1.26 -5.05 115.64 106.42 1wey s THR 83 Ca -0.11 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 1wey s THR 83 Cb 0.03 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1wey s THR 83 CO 0.15 -0.04 0.44 0.00 -0.54 0.00 0.00 174.62 174.63 1wey n LEU 84 N -0.87 0.00 0.00 4.79 -0.00 -1.26 -4.94 117.00 114.72 1wey n LEU 84 Ca -0.05 -0.49 0.00 0.00 -0.00 0.00 0.00 56.01 55.47 1wey n LEU 84 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 1wey n LEU 84 CO 0.47 0.35 0.00 1.57 -0.00 0.00 0.00 177.39 179.78 1wey n HIS 85 N 0.00 0.00 -3.58 1.47 -0.00 -1.26 -5.13 115.22 106.71 1wey n HIS 85 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.48 1wey n HIS 85 Cb 0.54 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.37 1wey n HIS 85 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1wey s ILE 86 N 0.00 -0.14 0.00 3.57 1.09 -1.26 -5.13 121.20 119.33 1wey s ILE 86 Ca 0.00 -0.16 0.00 0.00 -1.10 0.00 0.00 60.65 59.39 1wey s ILE 86 Cb 0.00 -0.60 0.00 0.00 -1.06 0.00 0.00 42.46 40.80 1wey s ILE 86 CO 0.00 -0.27 0.00 0.61 -0.10 0.00 0.00 174.94 175.18 1wey n GLY 87 N 5.29 2.98 0.00 6.18 0.00 -1.26 -5.01 105.19 113.37 1wey n GLY 87 Ca -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1wey n GLY 87 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wey n SER 88 N -0.13 0.00 -4.48 1.61 2.88 -1.26 -5.16 113.62 107.08 1wey n SER 88 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1wey n SER 88 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1wey n SER 88 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wey s SER 89 N 0.00 3.80 -0.80 -3.46 0.15 -1.26 -5.02 113.70 107.11 1wey s SER 89 Ca 0.00 -0.64 -0.26 0.00 0.70 0.00 0.00 55.95 55.75 1wey s SER 89 Cb 0.00 -0.49 -0.23 0.00 -1.71 0.00 0.00 66.02 63.59 1wey s SER 89 CO 0.00 0.16 1.92 1.41 1.20 0.00 0.00 173.24 177.93 1wey n HIS 90 N 0.59 1.21 -3.94 3.44 8.25 -1.26 -4.82 115.22 118.69 1wey n HIS 90 Ca -0.15 -0.74 -0.29 0.00 -0.26 0.00 0.00 57.72 56.28 1wey n HIS 90 Cb 0.54 -2.05 -0.16 0.00 1.12 0.00 0.00 29.99 29.44 1wey n HIS 90 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1wey s LEU 91 N 9.76 1.77 0.28 2.41 1.98 -1.26 -5.11 118.68 128.51 1wey s LEU 91 Ca 0.73 -0.66 -0.26 0.00 -2.89 0.00 0.00 54.13 51.04 1wey s LEU 91 Cb 0.03 -1.04 -0.16 0.00 0.66 0.00 0.00 46.19 45.69 1wey s LEU 91 CO 0.21 -0.15 0.55 0.00 -1.89 0.00 0.00 176.35 175.07 1wey n ALA 92 N 4.81 -2.21 -1.18 5.97 0.00 -1.26 -4.93 120.51 121.72 1wey n ALA 92 Ca -0.14 0.34 -0.29 0.00 0.00 0.00 0.00 53.44 53.36 1wey n ALA 92 Cb 0.48 -1.69 0.16 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.18 0.70 0.15 0.00 0.04 -1.26 -4.98 135.00 128.47 1wey s PRO 93 Ca 0.62 0.62 -0.10 0.00 0.04 0.00 0.00 61.00 62.18 1wey s PRO 93 Cb -0.80 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.96 1wey s PRO 93 CO 0.58 -2.57 1.48 -1.00 0.04 0.00 0.00 177.00 175.53 1wey h PRO 94 N -1.78 0.91 -6.13 0.56 0.13 -2.07 -3.48 132.00 120.13 1wey h PRO 94 Ca -0.53 -0.48 -0.21 0.00 -0.87 0.00 0.00 66.00 63.90 1wey h PRO 94 Cb 1.31 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.47 1wey h PRO 94 CO 0.56 1.13 -1.00 -1.71 -0.23 0.00 0.00 178.00 176.76 1wey n ASN 95 N -4.05 -6.42 -4.11 1.44 5.15 -1.26 -4.95 115.26 101.06 1wey n ASN 95 Ca -0.02 0.20 -0.30 0.00 -0.60 0.00 0.00 54.58 53.86 1wey n ASN 95 Cb 0.55 -2.78 0.22 0.00 -0.53 0.00 0.00 39.78 37.24 1wey n ASN 95 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1wey s PRO 96 N -2.21 -0.71 0.35 1.20 0.04 -1.26 -5.09 135.00 127.32 1wey s PRO 96 Ca 0.27 0.13 0.07 0.00 0.04 0.00 0.00 61.00 61.50 1wey s PRO 96 Cb -0.04 -1.64 -0.07 0.00 0.04 0.00 0.00 34.50 32.79 1wey s PRO 96 CO 0.71 -3.41 -0.01 0.34 0.04 0.00 0.00 177.00 174.68 1wey s ASP 97 N -3.73 3.27 -0.02 6.66 2.15 -1.26 -5.08 116.67 118.66 1wey s ASP 97 Ca 0.69 -1.31 -0.22 0.00 0.43 0.00 0.00 52.55 52.14 1wey s ASP 97 Cb -0.13 -0.27 -0.15 0.00 -0.30 0.00 0.00 42.92 42.07 1wey s ASP 97 CO 0.57 -0.42 0.98 0.50 -0.17 0.00 0.00 175.17 176.63 1wey h LYS 98 N 2.00 -0.36 -1.63 4.34 3.64 -2.06 -3.49 116.57 119.00 1wey h LYS 98 Ca -0.42 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1wey h LYS 98 Cb 1.24 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.09 1wey h LYS 98 CO 0.74 -0.01 -0.27 -1.13 -2.27 0.00 0.00 179.45 176.50 1wey n SER 99 N -5.05 -4.24 0.00 4.20 3.41 -1.26 -5.03 113.62 105.64 1wey n SER 99 Ca -0.08 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1wey n SER 99 Cb 0.26 -2.47 0.00 0.00 -0.26 0.00 0.00 64.21 61.75 1wey n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wey n GLY 100 N -2.41 2.71 3.58 5.00 0.00 -1.26 -5.17 105.19 107.63 1wey n GLY 100 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.29 -1.57 -0.07 1.61 0.04 -1.26 -5.09 135.00 127.37 1wey s PRO 101 Ca 0.00 -0.19 -0.32 0.00 0.04 0.00 0.00 61.00 60.53 1wey s PRO 101 Cb 0.00 -1.57 0.14 0.00 0.04 0.00 0.00 34.50 33.11 1wey s PRO 101 CO 0.00 -3.92 1.39 -1.54 0.04 0.00 0.00 177.00 172.98 1wey s SER 102 N -3.99 -0.02 0.23 6.66 1.04 -1.26 -5.17 113.70 111.20 1wey s SER 102 Ca 0.72 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1wey s SER 102 Cb -0.08 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1wey s SER 102 CO 0.56 -0.10 0.00 -0.24 0.98 0.00 0.00 173.24 174.44 1wey n SER 103 N -0.53 -3.23 0.00 7.02 2.88 -1.26 -5.38 113.62 113.11 1wey n SER 103 Ca -0.09 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 1wey n SER 103 Cb 0.63 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 1wey n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42