#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wey s SER 2 N 0.00 4.49 0.02 1.61 1.04 -1.26 -5.15 113.70 114.45 1wey s SER 2 Ca 0.00 -1.24 0.04 0.00 0.48 0.00 0.00 55.95 55.22 1wey s SER 2 Cb 0.00 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 1wey s SER 2 CO 0.00 -0.85 -0.11 -0.55 0.98 0.00 0.00 173.24 172.71 1wey s SER 3 N -4.07 1.26 0.00 7.02 0.15 -1.26 -5.08 113.70 111.72 1wey s SER 3 Ca 0.32 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1wey s SER 3 Cb 0.00 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1wey s SER 3 CO 0.19 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1wey n GLY 4 N 2.27 -0.41 1.84 9.45 0.00 -1.26 -5.10 105.19 111.98 1wey n GLY 4 Ca -0.17 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 0.07 -7.91 -3.01 1.61 7.64 -1.26 -4.98 113.62 105.77 1wey n SER 5 Ca 0.00 1.19 -0.15 0.00 1.01 0.00 0.00 58.87 60.92 1wey n SER 5 Cb 0.00 -4.45 0.01 0.00 -1.01 0.00 0.00 64.21 58.76 1wey n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wey n SER 6 N 1.61 -0.15 -4.43 6.43 3.41 -1.26 -4.72 113.62 114.51 1wey n SER 6 Ca 0.00 -3.19 -0.27 0.00 -0.26 0.00 0.00 58.87 55.16 1wey n SER 6 Cb 0.00 0.18 -0.12 0.00 -0.26 0.00 0.00 64.21 64.02 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 -2.09 1.73 -0.01 5.00 0.00 -1.26 -0.38 107.32 110.30 1wey s GLY 7 Ca 0.34 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 43.41 1wey s GLY 7 CO -0.06 -1.69 -0.03 1.08 0.00 0.00 0.00 173.10 172.40 1wey s LEU 8 N -2.75 1.73 -0.55 0.66 1.43 -0.65 -2.59 118.68 115.97 1wey s LEU 8 Ca 0.22 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 1wey s LEU 8 Cb -0.08 -0.22 0.14 0.00 0.03 0.00 0.00 46.19 46.06 1wey s LEU 8 CO 0.10 -0.00 0.46 -0.63 0.23 0.00 0.00 176.35 176.51 1wey s ILE 9 N 0.28 4.68 -0.14 -0.59 -1.09 0.82 -0.25 121.20 124.91 1wey s ILE 9 Ca -0.03 -1.87 -0.21 0.00 -2.23 0.00 0.00 60.65 56.31 1wey s ILE 9 Cb -0.06 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1wey s ILE 9 CO -0.01 -0.85 0.63 0.00 -1.23 0.00 0.00 174.94 173.48 1wey s ALA 10 N 1.18 3.46 -0.39 9.38 0.00 0.19 -0.30 121.76 135.29 1wey s ALA 10 Ca 0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.82 1wey s ALA 10 Cb -0.25 -2.90 0.04 0.00 0.00 0.00 0.00 23.12 20.01 1wey s ALA 10 CO -0.01 -0.29 0.22 0.00 0.00 0.00 0.00 175.76 175.68 1wey s VAL 12 N 1.51 5.16 -0.07 0.00 1.01 -1.26 -1.07 120.40 125.67 1wey s VAL 12 Ca 0.02 -0.27 0.22 0.00 0.00 0.00 0.00 61.98 61.95 1wey s VAL 12 Cb -0.20 -3.40 -0.28 0.00 0.00 0.00 0.00 36.38 32.50 1wey s VAL 12 CO 0.05 0.32 0.56 0.00 0.00 0.00 0.00 175.10 176.04 1wey n ALA 13 N 1.00 2.71 -2.36 5.51 0.00 -1.26 -4.83 120.51 121.28 1wey n ALA 13 Ca -0.11 -0.50 -0.40 0.00 0.00 0.00 0.00 53.44 52.43 1wey n ALA 13 Cb 0.53 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 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 -4.70 5.88 0.22 0.00 0.01 -1.26 -4.83 114.94 110.26 1wey s ASN 14 Ca -0.07 -0.09 0.13 0.00 -0.71 0.00 0.00 52.86 52.13 1wey s ASN 14 Cb 0.13 -2.55 0.72 0.00 0.41 0.00 0.00 41.25 39.96 1wey s ASN 14 CO 0.89 -1.99 1.37 -0.67 -1.51 0.00 0.00 177.10 175.19 1wey n ASP 15 N 10.47 0.34 0.12 -1.22 -0.08 -1.26 -0.39 116.55 124.53 1wey n ASP 15 Ca 0.10 0.62 -0.01 0.00 -1.51 0.00 0.00 54.79 54.00 1wey n ASP 15 Cb 0.50 -0.65 0.05 0.00 2.34 0.00 0.00 41.12 43.36 1wey n ASP 15 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1wey h ASP 16 N 0.00 0.00 0.26 1.67 3.32 -2.00 -3.12 116.42 116.55 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 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1wey h ASP 16 CO 0.00 0.67 0.00 0.58 -1.72 0.00 0.00 179.24 178.77 1wey h VAL 17 N 0.00 0.00 -0.42 -1.35 2.07 -1.05 -2.61 116.25 112.89 1wey h VAL 17 Ca -0.01 -0.13 -0.28 0.00 0.82 0.00 0.00 66.70 67.11 1wey h VAL 17 Cb 1.39 1.12 -0.12 0.00 -1.52 0.00 0.00 31.29 32.16 1wey h VAL 17 CO 0.09 0.00 0.36 0.49 0.02 0.00 0.00 177.57 178.52 1wey n PHE 18 N -3.06 1.34 -3.67 1.57 3.01 -1.18 -4.09 117.46 111.38 1wey n PHE 18 Ca -0.02 -1.77 -0.25 0.00 1.01 0.00 0.00 57.45 56.42 1wey n PHE 18 Cb 0.13 -0.86 -0.17 0.00 -0.01 0.00 0.00 39.48 38.56 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 0.37 2.10 0.19 4.37 0.15 -0.98 -4.99 113.70 114.90 1wey s SER 19 Ca 0.27 -0.44 0.12 0.00 0.70 0.00 0.00 55.95 56.60 1wey s SER 19 Cb 0.21 -0.32 0.64 0.00 -1.71 0.00 0.00 66.02 64.84 1wey s SER 19 CO 0.00 -0.30 1.34 -1.84 1.20 0.00 0.00 173.24 173.64 1wey n GLU 20 N 5.22 0.08 -0.20 5.44 -0.00 -1.26 -2.69 120.64 127.22 1wey n GLU 20 Ca -0.07 0.56 -0.05 0.00 -0.00 0.00 0.00 57.16 57.60 1wey n GLU 20 Cb 0.49 -1.79 -0.05 0.00 -0.00 0.00 0.00 31.44 30.09 1wey n GLU 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1wey n SER 21 N -1.91 -0.50 0.20 -1.84 2.88 -1.26 -4.75 113.62 106.44 1wey n SER 21 Ca -0.01 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 1wey n SER 21 Cb 0.05 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 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 -4.07 0.00 -0.30 -1.46 1.02 -1.21 -4.94 120.64 109.68 1wey n GLU 22 Ca 0.01 0.00 0.29 0.00 -0.02 0.00 0.00 57.16 57.44 1wey n GLU 22 Cb 0.12 0.00 0.52 0.00 -0.02 0.00 0.00 31.44 32.07 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 -3.38 -0.34 -0.04 2.62 -1.04 -1.26 0.13 114.28 110.97 1wey n THR 23 Ca 0.00 1.73 -0.09 0.00 -2.04 0.00 0.00 64.05 63.66 1wey n THR 23 Cb 0.00 -2.82 -0.03 0.00 -1.82 0.00 0.00 70.33 65.67 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 0.04 -0.63 -2.82 2.43 -1.66 -2.48 114.38 109.26 1wey h ARG 24 Ca 0.74 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 60.04 1wey h ARG 24 Cb 2.03 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 31.47 1wey h ARG 24 CO -0.63 0.02 0.03 0.00 -1.51 0.00 0.00 179.97 177.88 1wey h ALA 25 N 1.18 0.65 -1.01 2.80 0.00 0.78 0.35 119.26 124.02 1wey h ALA 25 Ca 0.09 0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.48 1wey h ALA 25 Cb 0.13 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1wey h ALA 25 CO -0.18 -0.38 0.73 0.87 0.00 0.00 0.00 179.25 180.29 1wey h LYS 26 N 0.14 0.00 0.00 0.00 1.57 -1.36 0.53 116.57 117.45 1wey h LYS 26 Ca 0.33 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.90 1wey h LYS 26 Cb 0.54 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1wey h LYS 26 CO -0.52 0.00 -1.53 0.34 -0.57 0.00 0.00 179.45 177.16 1wey n PHE 27 N -4.21 0.97 -0.04 -1.35 -0.00 0.11 -3.83 117.46 109.11 1wey n PHE 27 Ca 0.21 0.33 -0.15 0.00 -0.00 0.00 0.00 57.45 57.85 1wey n PHE 27 Cb 1.08 -1.12 -0.09 0.00 -0.00 0.00 0.00 39.48 39.35 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 0.00 0.39 0.00 -4.13 5.08 0.16 -3.16 114.58 112.92 1wey h GLU 28 Ca -0.21 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1wey h GLU 28 Cb 1.74 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 31.04 1wey h GLU 28 CO 0.06 0.92 -0.02 1.03 -1.00 0.00 0.00 179.01 180.00 1wey h SER 29 N -0.07 0.00 -0.98 1.42 0.87 -0.85 0.84 113.55 114.78 1wey h SER 29 Ca -0.02 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.72 1wey h SER 29 Cb 0.96 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.83 1wey h SER 29 CO 0.07 0.02 0.61 -0.07 -0.53 0.00 0.00 176.83 176.93 1wey h LEU 30 N 0.00 0.74 0.01 2.23 3.38 -1.65 0.13 115.31 120.15 1wey h LEU 30 Ca -0.00 0.08 -0.41 0.00 0.09 0.00 0.00 57.88 57.64 1wey h LEU 30 Cb 0.03 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1wey h LEU 30 CO 0.00 0.30 -2.42 0.49 0.09 0.00 0.00 178.44 176.90 1wey n PHE 31 N -4.68 0.14 -0.28 1.13 3.01 -0.79 -4.45 117.46 111.54 1wey n PHE 31 Ca 0.22 0.04 0.06 0.00 1.01 0.00 0.00 57.45 58.78 1wey n PHE 31 Cb 0.55 -1.02 0.21 0.00 -0.01 0.00 0.00 39.48 39.22 1wey n PHE 31 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1wey h ARG 32 N -0.39 0.58 -1.60 -1.08 1.12 -0.73 0.02 114.38 112.29 1wey h ARG 32 Ca -0.60 -0.03 0.47 0.00 -1.11 0.00 0.00 59.98 58.70 1wey h ARG 32 Cb 1.78 -0.13 -0.08 0.00 -0.01 0.00 0.00 29.97 31.54 1wey h ARG 32 CO -0.20 0.38 1.14 0.00 -3.11 0.00 0.00 179.97 178.18 1wey h THR 33 N 0.60 0.16 0.00 0.20 1.03 -0.95 -2.31 112.91 111.64 1wey h THR 33 Ca 0.44 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.84 1wey h THR 33 Cb 0.62 0.14 0.00 0.00 -1.07 0.00 0.00 68.15 67.84 1wey h THR 33 CO -0.36 0.00 -0.01 1.88 -0.01 0.00 0.00 175.52 177.03 1wey h TYR 34 N 0.03 0.00 -3.15 0.00 0.05 -1.24 -3.47 116.97 109.19 1wey h TYR 34 Ca 0.80 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.90 1wey h TYR 34 Cb 3.06 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 40.67 1wey h TYR 34 CO -0.00 0.00 -0.59 -0.51 -1.05 0.00 0.00 178.16 176.01 1wey s ASP 35 N -3.31 5.53 0.00 3.88 1.01 -0.87 -4.99 116.67 117.93 1wey s ASP 35 Ca -0.00 0.21 0.27 0.00 0.71 0.00 0.00 52.55 53.73 1wey s ASP 35 Cb 0.00 -1.61 0.83 0.00 1.01 0.00 0.00 42.92 43.15 1wey s ASP 35 CO 0.00 0.37 1.62 2.29 0.21 0.00 0.00 175.17 179.66 1wey n LYS 36 N 1.94 1.60 -0.46 8.23 2.85 -1.26 -3.86 118.16 127.19 1wey n LYS 36 Ca -0.18 -1.02 0.07 0.00 -1.05 0.00 0.00 58.31 56.12 1wey n LYS 36 Cb 0.54 -1.48 0.19 0.00 -0.65 0.00 0.00 35.03 33.63 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 0.19 1.98 -4.67 -5.58 9.92 -1.26 -5.02 116.55 112.11 1wey n ASP 37 Ca 0.17 -3.66 -0.40 0.00 -0.53 0.00 0.00 54.79 50.37 1wey n ASP 37 Cb 0.39 -0.51 -0.05 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 -3.13 4.99 -0.09 -3.53 -4.23 -1.25 -4.54 115.64 103.86 1wey s THR 38 Ca 0.37 1.36 -0.10 0.00 -1.18 0.00 0.00 61.69 62.14 1wey s THR 38 Cb 0.35 -4.02 -0.05 0.00 1.34 0.00 0.00 72.50 70.12 1wey s THR 38 CO -0.03 0.11 0.24 0.42 -0.54 0.00 0.00 174.62 174.82 1wey s THR 39 N 1.77 5.33 -0.11 3.99 -4.23 0.06 -4.92 115.64 117.52 1wey s THR 39 Ca 0.33 0.45 0.01 0.00 -1.18 0.00 0.00 61.69 61.30 1wey s THR 39 Cb -0.16 -3.53 -0.02 0.00 1.34 0.00 0.00 72.50 70.13 1wey s THR 39 CO 0.12 0.58 -0.12 -0.36 -0.54 0.00 0.00 174.62 174.30 1wey s PHE 40 N -0.85 2.81 -0.26 3.99 0.40 -1.26 -0.50 117.98 122.31 1wey s PHE 40 Ca 0.18 -0.44 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 1wey s PHE 40 Cb -0.14 -1.79 0.07 0.00 0.51 0.00 0.00 43.02 41.67 1wey s PHE 40 CO 0.07 -0.06 -0.06 -0.65 0.70 0.00 0.00 175.22 175.22 1wey s GLN 41 N -0.00 1.83 -0.12 0.44 -0.21 0.54 -4.96 119.66 117.18 1wey s GLN 41 Ca -0.03 -1.23 -0.17 0.00 0.02 0.00 0.00 55.36 53.95 1wey s GLN 41 Cb -0.14 -2.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 1wey s GLN 41 CO 0.04 -0.63 0.42 0.71 -2.12 0.00 0.00 175.29 173.70 1wey s TYR 42 N 1.23 3.51 -0.42 0.91 1.51 -1.26 -0.70 117.35 122.12 1wey s TYR 42 Ca -0.05 0.81 0.01 0.00 -1.01 0.00 0.00 57.07 56.83 1wey s TYR 42 Cb -0.19 -2.48 0.11 0.00 -0.11 0.00 0.00 41.96 39.30 1wey s TYR 42 CO -0.06 0.21 0.17 -0.06 -1.11 0.00 0.00 175.55 174.70 1wey s PHE 43 N 0.49 3.57 -0.85 2.71 0.08 -0.37 -4.93 117.98 118.67 1wey s PHE 43 Ca 0.23 -2.86 0.11 0.00 0.12 0.00 0.00 56.93 54.53 1wey s PHE 43 Cb -0.15 -3.02 0.50 0.00 -0.57 0.00 0.00 43.02 39.79 1wey s PHE 43 CO 0.09 -0.90 1.35 1.17 -0.10 0.00 0.00 175.22 176.82 1wey n LYS 44 N 4.04 0.04 0.09 0.44 3.00 -1.26 0.82 118.16 125.32 1wey n LYS 44 Ca 0.03 0.40 -0.23 0.00 -0.00 0.00 0.00 58.31 58.52 1wey n LYS 44 Cb 0.39 -1.60 -0.15 0.00 0.00 0.00 0.00 35.03 33.68 1wey n LYS 44 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1wey h SER 45 N 0.00 0.63 -0.14 3.14 0.02 -1.96 -3.35 113.55 111.88 1wey h SER 45 Ca 0.00 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 1wey h SER 45 Cb 0.15 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1wey h SER 45 CO 0.00 1.60 0.00 0.49 -1.14 0.00 0.00 176.83 177.78 1wey n PHE 46 N -3.87 0.41 -4.21 3.45 3.72 -0.93 -4.98 117.46 111.05 1wey n PHE 46 Ca -0.18 -0.81 -0.32 0.00 -0.05 0.00 0.00 57.45 56.09 1wey n PHE 46 Cb 0.98 -0.18 -0.08 0.00 -0.94 0.00 0.00 39.48 39.25 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 -0.68 -0.87 -4.54 -1.08 4.76 0.24 -4.91 118.16 111.08 1wey n LYS 47 Ca 0.15 0.10 -0.26 0.00 -2.87 0.00 0.00 58.31 55.43 1wey n LYS 47 Cb 0.65 -3.65 -0.10 0.00 -1.84 0.00 0.00 35.03 30.08 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 -6.90 1.85 -0.10 1.97 0.52 -1.04 -4.28 118.95 110.98 1wey s ARG 48 Ca 0.28 -1.95 -0.02 0.00 -0.52 0.00 0.00 55.73 53.52 1wey s ARG 48 Cb -0.16 -1.71 0.04 0.00 0.52 0.00 0.00 34.95 33.63 1wey s ARG 48 CO 0.92 0.12 0.02 0.08 0.02 0.00 0.00 175.30 176.46 1wey s VAL 49 N -2.62 0.28 -0.39 3.52 1.01 -0.25 -1.24 120.40 120.72 1wey s VAL 49 Ca 0.33 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.21 1wey s VAL 49 Cb 0.03 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.88 1wey s VAL 49 CO 0.17 0.12 0.25 -0.60 0.00 0.00 0.00 175.10 175.04 1wey s ARG 50 N 2.00 2.89 -0.43 2.72 3.52 0.12 0.52 118.95 130.29 1wey s ARG 50 Ca 0.04 -1.05 -0.11 0.00 -0.13 0.00 0.00 55.73 54.48 1wey s ARG 50 Cb -0.13 -3.84 0.08 0.00 -1.56 0.00 0.00 34.95 29.49 1wey s ARG 50 CO -0.06 -0.72 0.29 0.42 -0.81 0.00 0.00 175.30 174.42 1wey s ILE 51 N 1.61 4.46 -0.07 4.11 1.01 0.65 -0.34 121.20 132.63 1wey s ILE 51 Ca 0.03 -1.32 -0.17 0.00 0.00 0.00 0.00 60.65 59.19 1wey s ILE 51 Cb -0.19 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1wey s ILE 51 CO 0.08 -0.52 0.45 0.20 0.00 0.00 0.00 174.94 175.15 1wey s ASN 52 N 2.23 6.74 0.31 3.58 -0.87 0.34 -1.63 114.94 125.64 1wey s ASN 52 Ca 0.03 0.88 0.03 0.00 -1.57 0.00 0.00 52.86 52.23 1wey s ASN 52 Cb -0.23 -2.27 0.03 0.00 -0.02 0.00 0.00 41.25 38.76 1wey s ASN 52 CO 0.03 0.14 0.29 0.49 -2.57 0.00 0.00 177.10 175.47 1wey n PHE 53 N 2.91 -1.45 0.69 2.20 3.01 0.49 -0.76 117.46 124.54 1wey n PHE 53 Ca -0.10 -1.25 0.07 0.00 1.01 0.00 0.00 57.45 57.18 1wey n PHE 53 Cb 0.52 -0.26 -0.03 0.00 -0.01 0.00 0.00 39.48 39.70 1wey n PHE 53 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wey n SER 54 N -2.11 1.33 -3.75 4.37 2.88 -1.26 -4.79 113.62 110.29 1wey n SER 54 Ca 0.02 -1.16 -0.13 0.00 -1.33 0.00 0.00 58.87 56.26 1wey n SER 54 Cb 0.34 0.62 -0.10 0.00 -0.75 0.00 0.00 64.21 64.33 1wey n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wey s ASN 55 N -2.00 -0.31 0.00 -3.46 2.20 -1.26 -5.02 114.94 105.09 1wey s ASN 55 Ca 0.11 0.49 0.13 0.00 -0.94 0.00 0.00 52.86 52.65 1wey s ASN 55 Cb 0.12 0.58 0.76 0.00 -2.00 0.00 0.00 41.25 40.71 1wey s ASN 55 CO 0.45 -0.25 1.18 -0.81 -2.94 0.00 0.00 177.10 174.73 1wey n PRO 56 N 2.25 0.49 -0.02 3.55 -0.04 -1.26 -3.56 135.00 136.41 1wey n PRO 56 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.29 1wey n PRO 56 Cb 0.57 -1.41 -0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.64 1.53 3.38 -1.97 -3.38 115.31 114.24 1wey h LEU 57 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1wey h LEU 57 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 1wey h LEU 57 CO 0.00 0.19 -0.21 -1.28 0.09 0.00 0.00 178.44 177.23 1wey h SER 58 N -0.30 -0.75 -1.18 -0.43 0.87 -2.00 0.18 113.55 109.93 1wey h SER 58 Ca 0.00 0.21 0.42 0.00 -1.23 0.00 0.00 61.79 61.19 1wey h SER 58 Cb 0.08 0.45 -0.13 0.00 -0.44 0.00 0.00 62.40 62.36 1wey h SER 58 CO 0.00 -0.24 0.74 0.00 -0.53 0.00 0.00 176.83 176.79 1wey n ALA 59 N -3.12 1.18 0.11 6.23 0.00 -1.24 -0.45 120.51 123.21 1wey n ALA 59 Ca 0.07 0.82 -0.05 0.00 0.00 0.00 0.00 53.44 54.28 1wey n ALA 59 Cb 0.35 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 1.52 -0.43 -1.11 0.00 0.00 -0.80 -3.08 119.26 115.36 1wey h ALA 60 Ca 0.79 -0.08 0.31 0.00 0.00 0.00 0.00 54.91 55.93 1wey h ALA 60 Cb 2.46 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 20.29 1wey h ALA 60 CO -0.48 -0.41 0.72 -0.44 0.00 0.00 0.00 179.25 178.64 1wey h ASP 61 N -0.84 0.36 0.32 0.00 3.32 -0.80 0.05 116.42 118.83 1wey h ASP 61 Ca -0.04 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1wey h ASP 61 Cb 0.27 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1wey h ASP 61 CO 0.06 0.02 -0.15 0.00 -1.72 0.00 0.00 179.24 177.45 1wey h ALA 62 N 1.60 -0.43 -0.14 3.45 0.00 -0.82 -1.38 119.26 121.54 1wey h ALA 62 Ca 0.64 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.50 1wey h ALA 62 Cb 1.79 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 1wey h ALA 62 CO -0.29 -0.74 -0.39 -0.09 0.00 0.00 0.00 179.25 177.74 1wey h ARG 63 N -0.43 -0.44 -0.85 0.00 2.43 -0.89 0.29 114.38 114.49 1wey h ARG 63 Ca -0.04 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.27 1wey h ARG 63 Cb 0.33 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.90 1wey h ARG 63 CO 0.07 -0.29 0.48 1.37 -1.51 0.00 0.00 179.97 180.08 1wey h LEU 64 N -0.46 0.65 0.00 3.80 8.10 -1.44 0.48 115.31 126.44 1wey h LEU 64 Ca 0.09 0.06 0.00 0.00 0.11 0.00 0.00 57.88 58.14 1wey h LEU 64 Cb 0.60 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.77 1wey h LEU 64 CO -0.39 0.34 0.00 0.54 -4.11 0.00 0.00 178.44 174.82 1wey n ARG 65 N -4.78 0.50 0.00 0.17 1.74 -0.47 -4.81 116.66 109.01 1wey n ARG 65 Ca 0.15 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1wey n ARG 65 Cb 0.34 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 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 -1.15 0.00 0.00 0.55 4.77 0.17 -5.00 117.00 116.34 1wey n LEU 66 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1wey n LEU 66 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1wey n LEU 66 CO 0.15 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.78 1wey n HIS 67 N 0.00 0.00 -0.57 -1.77 -0.00 -1.22 -3.88 115.22 107.78 1wey n HIS 67 Ca 0.00 0.00 0.43 0.00 0.46 0.00 0.00 57.72 58.61 1wey n HIS 67 Cb 0.00 0.00 0.66 0.00 -0.12 0.00 0.00 29.99 30.53 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 3.65 -0.00 -0.98 1.57 5.02 -0.89 -3.42 118.16 123.12 1wey n LYS 68 Ca 0.00 0.87 -0.37 0.00 -2.02 0.00 0.00 58.31 56.78 1wey n LYS 68 Cb 0.00 -2.01 -0.04 0.00 -0.02 0.00 0.00 35.03 32.96 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 -3.54 0.33 -2.10 -0.18 -2.24 -1.25 -4.25 114.28 101.04 1wey n THR 69 Ca 0.36 -0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.76 1wey n THR 69 Cb 1.62 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.17 2.67 -0.66 -0.78 2.02 -1.26 -3.71 118.70 116.82 1wey s GLU 70 Ca 0.56 -0.28 -0.28 0.00 0.02 0.00 0.00 54.97 55.00 1wey s GLU 70 Cb -0.79 -5.01 0.03 0.00 0.10 0.00 0.00 34.13 28.46 1wey s GLU 70 CO 0.38 -3.18 1.28 0.12 0.02 0.00 0.00 175.26 173.88 1wey s PHE 71 N 9.43 2.38 -1.83 1.61 5.36 0.51 -3.54 117.98 131.90 1wey s PHE 71 Ca 0.67 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 1wey s PHE 71 Cb -0.07 -4.54 0.00 0.00 -0.34 0.00 0.00 43.02 38.07 1wey s PHE 71 CO 0.01 -1.90 0.00 1.28 -1.46 0.00 0.00 175.22 173.15 1wey n LEU 72 N 9.18 -1.29 0.00 6.12 4.77 -1.26 -1.70 117.00 132.82 1wey n LEU 72 Ca 0.07 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1wey n LEU 72 Cb 0.49 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.11 1wey n LEU 72 CO 0.71 -0.87 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 1wey n GLY 73 N -0.85 2.19 3.96 -0.72 0.00 -1.23 -5.08 105.19 103.46 1wey n GLY 73 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.19 3.27 -0.22 1.61 -0.14 -0.69 -4.94 119.74 118.45 1wey s LYS 74 Ca 0.00 -0.53 -0.08 0.00 -1.36 0.00 0.00 55.97 54.01 1wey s LYS 74 Cb 0.00 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.45 1wey s LYS 74 CO 0.00 0.00 0.08 -2.00 -0.76 0.00 0.00 175.35 172.67 1wey s GLU 75 N -4.36 3.86 -0.13 1.68 2.12 -1.26 0.19 118.70 120.80 1wey s GLU 75 Ca 0.43 -0.39 -0.03 0.00 0.36 0.00 0.00 54.97 55.35 1wey s GLU 75 Cb -0.10 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 1wey s GLU 75 CO 0.35 0.06 -0.04 1.41 -0.54 0.00 0.00 175.26 176.50 1wey s MET 76 N 0.97 3.45 0.42 4.30 -2.45 -1.22 -4.47 119.30 120.31 1wey s MET 76 Ca 0.04 -0.51 0.03 0.00 -1.25 0.00 0.00 55.69 54.00 1wey s MET 76 Cb -0.14 -2.85 -0.00 0.00 1.25 0.00 0.00 34.83 33.09 1wey s MET 76 CO 0.03 0.36 0.62 0.15 1.05 0.00 0.00 175.02 177.23 1wey s LYS 77 N 0.03 3.02 -0.13 4.11 1.02 -0.23 -2.09 119.74 125.47 1wey s LYS 77 Ca 0.00 -0.70 -0.07 0.00 0.02 0.00 0.00 55.97 55.22 1wey s LYS 77 Cb -0.13 -2.64 0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1wey s LYS 77 CO 0.03 -0.21 0.32 -0.51 -0.92 0.00 0.00 175.35 174.05 1wey s LEU 78 N -4.45 0.25 -0.07 3.17 1.43 -1.26 0.11 118.68 117.87 1wey s LEU 78 Ca 0.48 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 54.29 1wey s LEU 78 Cb -0.10 1.01 0.01 0.00 0.03 0.00 0.00 46.19 47.14 1wey s LEU 78 CO 0.36 -0.17 -0.14 -0.31 0.23 0.00 0.00 176.35 176.31 1wey s TYR 79 N 1.20 1.65 -0.49 0.29 2.02 0.60 -4.95 117.35 117.67 1wey s TYR 79 Ca -0.08 -0.62 -0.26 0.00 -0.37 0.00 0.00 57.07 55.74 1wey s TYR 79 Cb -0.09 -1.18 -0.07 0.00 -0.40 0.00 0.00 41.96 40.23 1wey s TYR 79 CO -0.09 -0.29 2.40 -0.06 -1.57 0.00 0.00 175.55 175.94 1wey s PHE 80 N 0.58 1.08 0.24 2.71 0.08 -1.26 -0.13 117.98 121.27 1wey s PHE 80 Ca -0.15 1.55 -0.25 0.00 0.12 0.00 0.00 56.93 58.19 1wey s PHE 80 Cb -0.16 -3.59 -0.16 0.00 -0.57 0.00 0.00 43.02 38.54 1wey s PHE 80 CO 0.05 -2.56 0.40 0.00 -0.10 0.00 0.00 175.22 173.00 1wey n ALA 81 N 15.83 -2.84 -1.10 5.36 0.00 -1.07 -4.57 120.51 132.13 1wey n ALA 81 Ca 0.36 0.35 0.06 0.00 0.00 0.00 0.00 53.44 54.21 1wey n ALA 81 Cb 0.55 -1.51 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1wey n ALA 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wey n GLN 82 N 1.04 -2.74 -3.30 0.00 1.13 -1.26 -4.83 117.38 107.41 1wey n GLN 82 Ca 0.16 2.18 -0.14 0.00 -1.94 0.00 0.00 57.00 57.25 1wey n GLN 82 Cb 0.27 -2.88 0.01 0.00 0.11 0.00 0.00 30.24 27.76 1wey n GLN 82 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1wey n THR 83 N -2.94 -2.76 -0.78 5.09 -2.24 -1.26 -4.85 114.28 104.53 1wey n THR 83 Ca -0.03 0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 61.76 1wey n THR 83 Cb 0.42 -3.22 0.12 0.00 -2.10 0.00 0.00 70.33 65.55 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 0.76 -2.57 -2.75 3.22 -0.00 -1.26 -4.93 117.00 109.47 1wey n LEU 84 Ca -0.03 -0.09 -0.02 0.00 -0.00 0.00 0.00 56.01 55.87 1wey n LEU 84 Cb 0.56 -0.78 0.09 0.00 -0.00 0.00 0.00 43.42 43.29 1wey n LEU 84 CO 0.20 -2.86 0.28 1.57 -0.00 0.00 0.00 177.39 176.58 1wey n HIS 85 N -4.11 -0.34 -1.96 1.47 -0.00 -1.26 -5.08 115.22 103.94 1wey n HIS 85 Ca -0.00 -2.00 -0.38 0.00 0.46 0.00 0.00 57.72 55.79 1wey n HIS 85 Cb 0.67 0.61 -0.03 0.00 -0.12 0.00 0.00 29.99 31.11 1wey n HIS 85 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1wey s ILE 86 N -1.91 3.30 0.18 3.57 1.01 -1.26 -4.86 121.20 121.24 1wey s ILE 86 Ca 0.19 0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.87 1wey s ILE 86 Cb 0.39 -3.78 0.15 0.00 0.01 0.00 0.00 42.46 39.23 1wey s ILE 86 CO -0.07 -0.75 1.65 1.23 0.00 0.00 0.00 174.94 177.00 1wey h GLY 87 N 16.83 0.36 0.00 6.18 0.00 -2.05 -3.44 103.07 120.95 1wey h GLY 87 Ca -0.26 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1wey h GLY 87 CO 1.20 -0.19 0.00 1.44 0.00 0.00 0.00 176.54 178.99 1wey n SER 88 N -5.36 -0.53 -1.08 0.19 7.64 -1.26 -5.17 113.62 108.06 1wey n SER 88 Ca 0.04 0.14 0.13 0.00 1.01 0.00 0.00 58.87 60.19 1wey n SER 88 Cb 0.26 0.79 -0.04 0.00 -1.01 0.00 0.00 64.21 64.22 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 -2.51 -5.91 -1.23 6.43 7.64 -1.26 -4.99 113.62 111.79 1wey n SER 89 Ca 0.00 0.57 0.15 0.00 1.01 0.00 0.00 58.87 60.60 1wey n SER 89 Cb 0.00 -3.46 -0.08 0.00 -1.01 0.00 0.00 64.21 59.67 1wey n SER 89 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1wey n HIS 90 N -3.35 -3.29 -1.36 1.43 8.25 -1.26 -5.02 115.22 110.62 1wey n HIS 90 Ca -0.01 1.79 0.03 0.00 -0.26 0.00 0.00 57.72 59.27 1wey n HIS 90 Cb 0.62 -2.99 -0.02 0.00 1.12 0.00 0.00 29.99 28.72 1wey n HIS 90 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1wey n LEU 91 N -4.02 -1.36 -2.93 2.41 4.77 -1.26 -4.95 117.00 109.67 1wey n LEU 91 Ca -0.07 2.43 -0.11 0.00 -0.03 0.00 0.00 56.01 58.23 1wey n LEU 91 Cb 0.58 -2.65 0.01 0.00 -2.33 0.00 0.00 43.42 39.04 1wey n LEU 91 CO 0.03 -0.98 -0.05 0.00 -1.33 0.00 0.00 177.39 175.06 1wey n ALA 92 N -2.83 -2.95 -1.25 -1.18 0.00 -1.26 -4.97 120.51 106.07 1wey n ALA 92 Ca -0.02 1.00 -0.31 0.00 0.00 0.00 0.00 53.44 54.11 1wey n ALA 92 Cb 0.47 -3.31 0.10 0.00 0.00 0.00 0.00 19.45 16.71 1wey n ALA 92 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wey s PRO 93 N -2.48 2.08 1.25 0.00 0.04 -1.26 -5.05 135.00 129.58 1wey s PRO 93 Ca 0.24 1.10 -0.21 0.00 0.04 0.00 0.00 61.00 62.18 1wey s PRO 93 Cb -0.06 -1.88 0.31 0.00 0.04 0.00 0.00 34.50 32.91 1wey s PRO 93 CO 0.77 -1.75 1.12 -1.25 0.04 0.00 0.00 177.00 175.93 1wey s PRO 94 N -4.91 -1.62 0.35 0.56 0.04 -1.26 -5.00 135.00 123.16 1wey s PRO 94 Ca 0.62 -0.21 -0.26 0.00 0.04 0.00 0.00 61.00 61.18 1wey s PRO 94 Cb -0.17 -1.56 -0.09 0.00 0.04 0.00 0.00 34.50 32.71 1wey s PRO 94 CO 0.56 -3.94 1.03 -0.80 0.04 0.00 0.00 177.00 173.89 1wey s ASN 95 N -4.01 7.03 1.11 6.66 0.01 -1.26 -5.05 114.94 119.42 1wey s ASN 95 Ca 0.72 2.05 -0.09 0.00 -0.71 0.00 0.00 52.86 54.83 1wey s ASN 95 Cb -0.07 -2.60 0.13 0.00 0.41 0.00 0.00 41.25 39.12 1wey s ASN 95 CO 0.56 -0.29 0.46 -0.81 -1.51 0.00 0.00 177.10 175.50 1wey n PRO 96 N 0.42 -1.93 -2.88 -0.60 -0.04 -1.26 -5.07 135.00 123.64 1wey n PRO 96 Ca 0.03 -0.74 -0.04 0.00 -0.04 0.00 0.00 63.50 62.70 1wey n PRO 96 Cb 0.48 -0.69 -0.00 0.00 -0.04 0.00 0.00 33.50 33.25 1wey n PRO 96 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wey s ASP 97 N -2.76 -1.28 -0.04 3.54 2.15 -1.26 -5.14 116.67 111.88 1wey s ASP 97 Ca 0.30 -1.63 0.03 0.00 0.43 0.00 0.00 52.55 51.68 1wey s ASP 97 Cb -0.03 1.77 -0.03 0.00 -0.30 0.00 0.00 42.92 44.34 1wey s ASP 97 CO 0.23 -0.08 -0.13 -0.75 -0.17 0.00 0.00 175.17 174.27 1wey s LYS 98 N 1.01 2.50 0.12 4.34 2.36 -1.26 -5.13 119.74 123.69 1wey s LYS 98 Ca 0.27 -0.70 0.08 0.00 -2.55 0.00 0.00 55.97 53.08 1wey s LYS 98 Cb -0.01 -2.39 -0.04 0.00 -1.05 0.00 0.00 37.83 34.34 1wey s LYS 98 CO -0.06 0.62 -0.16 0.45 1.55 0.00 0.00 175.35 177.76 1wey s SER 99 N -0.81 4.03 -0.54 1.43 0.15 -1.26 -5.09 113.70 111.62 1wey s SER 99 Ca 0.12 -0.52 0.06 0.00 0.70 0.00 0.00 55.95 56.31 1wey s SER 99 Cb -0.11 -0.63 0.20 0.00 -1.71 0.00 0.00 66.02 63.78 1wey s SER 99 CO 0.01 0.17 0.51 0.61 1.20 0.00 0.00 173.24 175.75 1wey n GLY 100 N 0.74 3.38 3.60 9.45 0.00 -1.26 -5.11 105.19 115.99 1wey n GLY 100 Ca -0.15 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.18 -1.07 0.27 1.61 0.04 -1.26 -5.09 135.00 128.32 1wey s PRO 101 Ca 0.33 -0.02 -0.21 0.00 0.04 0.00 0.00 61.00 61.14 1wey s PRO 101 Cb 0.07 -1.61 0.02 0.00 0.04 0.00 0.00 34.50 33.02 1wey s PRO 101 CO -0.13 -3.62 0.70 0.45 0.04 0.00 0.00 177.00 174.43 1wey s SER 102 N -3.86 -0.27 0.39 6.66 0.15 -1.26 -5.19 113.70 110.32 1wey s SER 102 Ca 0.70 -0.58 0.04 0.00 0.70 0.00 0.00 55.95 56.81 1wey s SER 102 Cb -0.11 0.71 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 1wey s SER 102 CO 0.56 -1.31 0.06 -0.94 1.20 0.00 0.00 173.24 172.81 1wey s SER 103 N -2.91 2.96 0.00 5.45 1.04 -1.26 -5.36 113.70 113.61 1wey s SER 103 Ca 0.11 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.04 1wey s SER 103 Cb -0.05 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1wey s SER 103 CO 0.06 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.18