#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi7 s SER 2 N 0.00 -0.73 0.04 1.61 1.04 -1.26 -5.13 113.70 109.28 1wi7 s SER 2 Ca 0.00 1.26 -0.38 0.00 0.48 0.00 0.00 55.95 57.31 1wi7 s SER 2 Cb 0.00 1.18 -0.17 0.00 0.10 0.00 0.00 66.02 67.13 1wi7 s SER 2 CO 0.00 -0.22 1.33 -1.54 0.98 0.00 0.00 173.24 173.80 1wi7 n SER 3 N 3.74 1.46 0.00 7.02 3.41 -1.26 -4.87 113.62 123.11 1wi7 n SER 3 Ca -0.19 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 1wi7 n SER 3 Cb 0.57 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 1wi7 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wi7 n GLY 4 N 2.51 -2.64 3.41 5.00 0.00 -1.26 -3.49 105.19 108.72 1wi7 n GLY 4 Ca 0.19 0.57 -0.44 0.00 0.00 0.00 0.00 46.02 46.33 1wi7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi7 s SER 5 N -2.70 6.39 -0.54 1.61 0.01 -1.26 -4.99 113.70 112.23 1wi7 s SER 5 Ca 0.00 -1.69 -0.20 0.00 1.31 0.00 0.00 55.95 55.37 1wi7 s SER 5 Cb 0.00 -2.35 0.07 0.00 0.21 0.00 0.00 66.02 63.95 1wi7 s SER 5 CO 0.00 -1.10 0.71 -0.94 0.41 0.00 0.00 173.24 172.31 1wi7 s SER 6 N 3.47 6.23 0.00 2.44 1.04 -1.23 -4.93 113.70 120.72 1wi7 s SER 6 Ca 0.21 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1wi7 s SER 6 Cb -0.15 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1wi7 s SER 6 CO 0.00 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1wi7 n GLY 7 N 5.20 1.61 3.49 7.32 0.00 -1.26 -4.94 105.19 116.61 1wi7 n GLY 7 Ca -0.06 0.38 -0.23 0.00 0.00 0.00 0.00 46.02 46.11 1wi7 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wi7 s ARG 8 N 0.00 1.72 0.09 1.61 1.70 -0.71 -5.00 118.95 118.36 1wi7 s ARG 8 Ca 0.00 -1.94 0.09 0.00 -0.47 0.00 0.00 55.73 53.41 1wi7 s ARG 8 Cb 0.00 -1.15 -0.03 0.00 -0.57 0.00 0.00 34.95 33.19 1wi7 s ARG 8 CO 0.00 -0.10 -0.24 1.03 -1.08 0.00 0.00 175.30 174.92 1wi7 s ARG 9 N -3.80 1.37 -0.03 3.89 0.52 -1.26 0.89 118.95 120.52 1wi7 s ARG 9 Ca 0.35 -1.17 -0.13 0.00 -0.52 0.00 0.00 55.73 54.27 1wi7 s ARG 9 Cb 0.08 -1.66 0.02 0.00 0.52 0.00 0.00 34.95 33.91 1wi7 s ARG 9 CO 0.16 0.40 0.27 0.00 0.02 0.00 0.00 175.30 176.15 1wi7 s GLN 11 N -1.06 3.22 -0.31 0.00 0.74 -0.06 -1.74 119.66 120.46 1wi7 s GLN 11 Ca -0.11 -0.62 -0.15 0.00 0.05 0.00 0.00 55.36 54.53 1wi7 s GLN 11 Cb -0.05 -2.88 -0.02 0.00 1.10 0.00 0.00 33.01 31.15 1wi7 s GLN 11 CO 0.03 0.55 0.38 0.08 -0.55 0.00 0.00 175.29 175.78 1wi7 s VAL 12 N -1.60 5.16 -0.20 1.34 1.01 0.10 0.16 120.40 126.37 1wi7 s VAL 12 Ca 0.33 0.34 0.21 0.00 0.00 0.00 0.00 61.98 62.86 1wi7 s VAL 12 Cb -0.12 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1wi7 s VAL 12 CO 0.26 0.03 0.96 0.00 0.00 0.00 0.00 175.10 176.35 1wi7 n ALA 13 N 5.39 2.40 -3.85 5.51 0.00 -1.24 -0.46 120.51 128.26 1wi7 n ALA 13 Ca -0.08 -0.32 -0.26 0.00 0.00 0.00 0.00 53.44 52.78 1wi7 n ALA 13 Cb 0.50 -1.05 -0.17 0.00 0.00 0.00 0.00 19.45 18.73 1wi7 n ALA 13 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1wi7 s PHE 14 N -3.27 1.27 0.08 0.00 0.40 -1.23 -4.73 117.98 110.49 1wi7 s PHE 14 Ca -0.01 -0.58 -0.31 0.00 -0.60 0.00 0.00 56.93 55.43 1wi7 s PHE 14 Cb 0.10 -1.11 -0.09 0.00 0.51 0.00 0.00 43.02 42.42 1wi7 s PHE 14 CO 0.80 -0.45 1.76 -1.54 0.70 0.00 0.00 175.22 176.49 1wi7 s SER 15 N 1.71 6.51 -0.02 1.36 1.04 -1.26 -4.57 113.70 118.47 1wi7 s SER 15 Ca 0.04 2.61 0.04 0.00 0.48 0.00 0.00 55.95 59.12 1wi7 s SER 15 Cb -0.13 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 1wi7 s SER 15 CO -0.07 -0.96 -0.11 -0.47 0.98 0.00 0.00 173.24 172.61 1wi7 s TYR 16 N 2.91 2.78 -0.14 5.02 6.14 0.47 -4.89 117.35 129.63 1wi7 s TYR 16 Ca 0.78 -0.11 -0.00 0.00 0.64 0.00 0.00 57.07 58.38 1wi7 s TYR 16 Cb -0.42 -1.61 -0.01 0.00 0.42 0.00 0.00 41.96 40.34 1wi7 s TYR 16 CO 0.35 0.28 -0.13 -0.51 0.64 0.00 0.00 175.55 176.18 1wi7 s LEU 17 N -1.09 2.66 -0.40 6.97 1.43 -1.26 -0.97 118.68 126.02 1wi7 s LEU 17 Ca 0.14 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 1wi7 s LEU 17 Cb -0.11 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.51 1wi7 s LEU 17 CO 0.04 0.13 1.41 -2.16 0.23 0.00 0.00 176.35 175.99 1wi7 s PRO 18 N 0.56 3.60 0.00 1.29 0.04 -1.25 -4.85 135.00 134.39 1wi7 s PRO 18 Ca -0.08 0.96 0.04 0.00 0.04 0.00 0.00 61.00 61.96 1wi7 s PRO 18 Cb -0.16 -4.02 0.18 0.00 0.04 0.00 0.00 34.50 30.55 1wi7 s PRO 18 CO 0.03 -1.53 1.10 1.04 0.04 0.00 0.00 177.00 177.68 1wi7 n GLN 19 N 8.02 0.01 -4.46 4.56 6.02 -1.26 -4.60 117.38 125.68 1wi7 n GLN 19 Ca 0.16 0.39 -0.23 0.00 -0.01 0.00 0.00 57.00 57.32 1wi7 n GLN 19 Cb 0.48 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.14 1wi7 n GLN 19 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1wi7 s ASN 20 N -2.92 3.31 -1.26 1.08 -0.87 -1.26 -5.05 114.94 107.98 1wi7 s ASN 20 Ca 0.02 -1.09 -0.08 0.00 -1.57 0.00 0.00 52.86 50.15 1wi7 s ASN 20 Cb 0.03 -0.26 0.18 0.00 -0.02 0.00 0.00 41.25 41.18 1wi7 s ASN 20 CO 0.07 -0.11 1.94 -0.67 -2.57 0.00 0.00 177.10 175.76 1wi7 n ASP 21 N -0.61 5.96 0.00 -1.22 -0.08 -1.26 -3.61 116.55 115.73 1wi7 n ASP 21 Ca -0.06 -3.17 0.00 0.00 -1.51 0.00 0.00 54.79 50.05 1wi7 n ASP 21 Cb 0.61 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.66 1wi7 n ASP 21 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1wi7 n ASP 22 N 2.95 0.00 -4.28 1.67 -0.08 -1.26 -5.15 116.55 110.40 1wi7 n ASP 22 Ca 0.43 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.42 1wi7 n ASP 22 Cb 0.33 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.03 1wi7 n ASP 22 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wi7 n GLU 23 N -0.24 -2.62 -3.45 -0.67 4.71 -1.24 -4.60 120.64 112.54 1wi7 n GLU 23 Ca 0.00 -0.74 -0.34 0.00 -0.01 0.00 0.00 57.16 56.06 1wi7 n GLU 23 Cb 0.00 -1.99 -0.06 0.00 -1.01 0.00 0.00 31.44 28.38 1wi7 n GLU 23 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1wi7 s LEU 24 N -5.63 4.32 -0.41 -4.62 1.43 -1.24 -4.82 118.68 107.70 1wi7 s LEU 24 Ca 0.65 0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 54.64 1wi7 s LEU 24 Cb -0.20 -3.23 0.10 0.00 0.03 0.00 0.00 46.19 42.89 1wi7 s LEU 24 CO 0.64 0.10 0.21 -0.70 0.23 0.00 0.00 176.35 176.84 1wi7 s GLU 25 N -2.08 2.23 0.32 1.70 2.12 -1.26 -3.95 118.70 117.78 1wi7 s GLU 25 Ca 0.37 -1.69 -0.27 0.00 0.36 0.00 0.00 54.97 53.75 1wi7 s GLU 25 Cb -0.14 -3.63 -0.09 0.00 0.26 0.00 0.00 34.13 30.53 1wi7 s GLU 25 CO 0.19 -1.02 1.01 -0.51 -0.54 0.00 0.00 175.26 174.40 1wi7 s LEU 26 N 1.24 4.38 -0.05 2.70 1.43 -0.14 -4.83 118.68 123.41 1wi7 s LEU 26 Ca 0.05 2.02 -0.01 0.00 -1.03 0.00 0.00 54.13 55.17 1wi7 s LEU 26 Cb -0.23 -3.91 0.03 0.00 0.03 0.00 0.00 46.19 42.11 1wi7 s LEU 26 CO -0.02 -0.18 0.02 -0.54 0.23 0.00 0.00 176.35 175.85 1wi7 s LYS 27 N -1.90 0.32 -0.70 1.70 1.02 -1.26 0.18 119.74 119.10 1wi7 s LYS 27 Ca 0.50 0.17 -0.34 0.00 0.02 0.00 0.00 55.97 56.32 1wi7 s LYS 27 Cb -0.24 -0.69 -0.19 0.00 -0.52 0.00 0.00 37.83 36.20 1wi7 s LYS 27 CO 0.30 -0.25 2.21 0.28 -0.92 0.00 0.00 175.35 176.97 1wi7 n VAL 28 N 4.85 0.00 0.00 3.17 0.31 -1.26 0.66 118.33 126.06 1wi7 n VAL 28 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1wi7 n VAL 28 Cb 0.50 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 1wi7 n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wi7 n GLY 29 N 6.31 1.70 3.74 2.92 0.00 0.39 -4.99 105.19 115.25 1wi7 n GLY 29 Ca 0.55 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.22 1wi7 n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wi7 s ASP 30 N -2.00 5.58 -0.31 1.61 1.11 0.21 -4.88 116.67 117.99 1wi7 s ASP 30 Ca 0.00 0.24 -0.02 0.00 0.18 0.00 0.00 52.55 52.95 1wi7 s ASP 30 Cb 0.00 -1.66 0.05 0.00 1.07 0.00 0.00 42.92 42.38 1wi7 s ASP 30 CO 0.00 0.38 0.02 -0.63 1.18 0.00 0.00 175.17 176.12 1wi7 s ILE 31 N -0.89 3.04 -0.30 0.77 1.01 -1.26 0.01 121.20 123.57 1wi7 s ILE 31 Ca 0.13 -1.43 -0.11 0.00 0.00 0.00 0.00 60.65 59.24 1wi7 s ILE 31 Cb -0.12 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 1wi7 s ILE 31 CO 0.03 -0.16 0.18 -0.63 0.00 0.00 0.00 174.94 174.36 1wi7 s ILE 32 N 1.25 5.03 -1.15 2.92 1.01 -0.71 -4.68 121.20 124.86 1wi7 s ILE 32 Ca -0.04 -0.11 -0.23 0.00 0.00 0.00 0.00 60.65 60.27 1wi7 s ILE 32 Cb -0.20 -3.48 -0.12 0.00 0.01 0.00 0.00 42.46 38.67 1wi7 s ILE 32 CO -0.01 0.15 1.96 -0.62 0.00 0.00 0.00 174.94 176.42 1wi7 n GLU 33 N 5.04 1.33 -1.56 2.79 1.02 -1.16 -3.04 120.64 125.06 1wi7 n GLU 33 Ca -0.14 -2.32 -0.64 0.00 -0.02 0.00 0.00 57.16 54.05 1wi7 n GLU 33 Cb 0.51 -3.74 -0.10 0.00 -0.02 0.00 0.00 31.44 28.08 1wi7 n GLU 33 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wi7 n VAL 34 N 7.98 0.00 -0.13 2.62 0.31 0.26 -3.54 118.33 125.84 1wi7 n VAL 34 Ca 0.44 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.52 1wi7 n VAL 34 Cb 0.46 -0.48 -0.08 0.00 -0.91 0.00 0.00 33.84 32.82 1wi7 n VAL 34 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1wi7 n VAL 35 N 4.55 1.48 -2.13 2.52 3.14 0.05 -1.74 118.33 126.20 1wi7 n VAL 35 Ca 0.37 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1wi7 n VAL 35 Cb -0.05 -1.95 0.00 0.00 -1.06 0.00 0.00 33.84 30.78 1wi7 n VAL 35 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wi7 n GLY 36 N 1.35 4.30 2.88 7.55 0.00 0.29 -4.71 105.19 116.84 1wi7 n GLY 36 Ca -0.46 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 1wi7 n GLY 36 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wi7 s GLU 37 N 1.40 0.04 -0.01 1.61 -6.30 -1.26 0.01 118.70 114.19 1wi7 s GLU 37 Ca 0.00 0.17 -0.00 0.00 -2.50 0.00 0.00 54.97 52.64 1wi7 s GLU 37 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 34.13 34.04 1wi7 s GLU 37 CO 0.00 -0.09 -0.00 0.28 0.02 0.00 0.00 175.26 175.47 1wi7 h VAL 38 N 5.62 0.00 -3.93 3.70 2.07 -1.62 -3.44 116.25 118.65 1wi7 h VAL 38 Ca -0.34 -0.10 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 1wi7 h VAL 38 Cb 1.17 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 1wi7 h VAL 38 CO 0.46 0.00 -0.29 -1.83 0.02 0.00 0.00 177.57 175.94 1wi7 s GLU 39 N -1.06 1.37 -0.27 1.57 -1.05 -0.39 -5.02 118.70 113.84 1wi7 s GLU 39 Ca -0.00 -1.32 -0.39 0.00 -0.15 0.00 0.00 54.97 53.11 1wi7 s GLU 39 Cb 0.00 0.40 -0.14 0.00 -0.44 0.00 0.00 34.13 33.95 1wi7 s GLU 39 CO 0.00 -0.53 1.86 -1.91 0.95 0.00 0.00 175.26 175.63 1wi7 n GLU 40 N -0.31 1.26 0.00 -4.83 2.13 -1.26 0.20 120.64 117.83 1wi7 n GLU 40 Ca -0.02 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1wi7 n GLU 40 Cb 0.63 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 30.11 1wi7 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wi7 n GLY 41 N 4.76 1.65 3.07 8.31 0.00 -1.26 -5.01 105.19 116.71 1wi7 n GLY 41 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 1wi7 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wi7 s TRP 42 N -2.34 2.12 0.37 1.61 0.52 0.54 -1.24 118.94 120.52 1wi7 s TRP 42 Ca 0.00 -1.03 0.08 0.00 0.02 0.00 0.00 56.10 55.17 1wi7 s TRP 42 Cb 0.00 -1.51 -0.06 0.00 -1.15 0.00 0.00 33.47 30.75 1wi7 s TRP 42 CO 0.00 -0.52 0.07 -1.58 0.02 0.00 0.00 176.95 174.94 1wi7 s TRP 43 N 1.00 2.57 -0.08 -1.98 0.51 0.73 -1.26 118.94 120.42 1wi7 s TRP 43 Ca -0.06 -0.51 0.05 0.00 -2.12 0.00 0.00 56.10 53.46 1wi7 s TRP 43 Cb -0.15 -1.69 -0.00 0.00 -0.81 0.00 0.00 33.47 30.82 1wi7 s TRP 43 CO -0.02 0.37 -0.23 -2.00 -0.51 0.00 0.00 176.95 174.55 1wi7 s GLU 44 N -3.78 2.76 0.05 4.98 2.12 0.10 -1.88 118.70 123.04 1wi7 s GLU 44 Ca 0.37 -0.85 -0.02 0.00 0.36 0.00 0.00 54.97 54.83 1wi7 s GLU 44 Cb 0.02 -2.17 0.01 0.00 0.26 0.00 0.00 34.13 32.25 1wi7 s GLU 44 CO 0.20 0.24 0.09 0.41 -0.54 0.00 0.00 175.26 175.66 1wi7 n GLY 45 N 3.33 1.97 3.63 -1.50 0.00 -1.24 -0.55 105.19 110.83 1wi7 n GLY 45 Ca -0.19 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.52 1wi7 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wi7 s VAL 46 N -2.86 2.70 -0.39 1.61 1.01 -1.23 -3.33 120.40 117.90 1wi7 s VAL 46 Ca 0.02 -1.97 0.03 0.00 0.00 0.00 0.00 61.98 60.06 1wi7 s VAL 46 Cb -0.01 -2.79 0.16 0.00 0.00 0.00 0.00 36.38 33.75 1wi7 s VAL 46 CO 0.01 -0.22 0.39 -0.22 0.00 0.00 0.00 175.10 175.06 1wi7 s LEU 47 N -3.71 0.18 -1.28 3.92 2.96 0.52 -2.96 118.68 118.31 1wi7 s LEU 47 Ca 0.34 -1.95 -0.04 0.00 -0.22 0.00 0.00 54.13 52.27 1wi7 s LEU 47 Cb -0.01 0.42 0.01 0.00 0.50 0.00 0.00 46.19 47.11 1wi7 s LEU 47 CO 0.19 -0.22 1.03 0.59 -1.32 0.00 0.00 176.35 176.62 1wi7 n ASN 48 N 3.81 -3.48 0.00 3.68 3.02 -1.26 -1.39 115.26 119.64 1wi7 n ASN 48 Ca 0.16 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 1wi7 n ASN 48 Cb 0.46 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.69 1wi7 n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wi7 n GLY 49 N -1.48 2.99 3.82 7.41 0.00 -1.26 -5.03 105.19 111.63 1wi7 n GLY 49 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1wi7 n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wi7 s LYS 50 N -0.18 3.14 0.13 1.61 2.20 -0.48 -5.04 119.74 121.12 1wi7 s LYS 50 Ca 0.00 1.03 -0.05 0.00 -0.36 0.00 0.00 55.97 56.59 1wi7 s LYS 50 Cb 0.00 -2.01 -0.02 0.00 -1.51 0.00 0.00 37.83 34.28 1wi7 s LYS 50 CO 0.00 -0.94 0.16 0.99 -0.36 0.00 0.00 175.35 175.20 1wi7 s THR 51 N -2.84 0.10 0.00 3.43 2.01 -1.26 0.20 115.64 117.27 1wi7 s THR 51 Ca 0.60 -1.62 0.00 0.00 0.31 0.00 0.00 61.69 60.98 1wi7 s THR 51 Cb -0.14 -1.85 0.00 0.00 0.01 0.00 0.00 72.50 70.51 1wi7 s THR 51 CO 0.48 -0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 1wi7 n GLY 52 N -0.13 -0.42 3.81 4.40 0.00 -1.21 -4.55 105.19 107.08 1wi7 n GLY 52 Ca -0.08 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 1wi7 n GLY 52 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wi7 s MET 53 N -1.77 3.91 0.06 1.61 0.23 -1.26 -3.60 119.30 118.48 1wi7 s MET 53 Ca 0.00 0.14 -0.04 0.00 -1.03 0.00 0.00 55.69 54.76 1wi7 s MET 53 Cb 0.00 -3.29 -0.02 0.00 -1.53 0.00 0.00 34.83 29.99 1wi7 s MET 53 CO 0.00 0.55 0.05 -0.59 -2.03 0.00 0.00 175.02 173.00 1wi7 s PHE 54 N -0.48 0.36 0.08 3.16 -0.71 -0.79 -3.69 117.98 115.91 1wi7 s PHE 54 Ca 0.18 -0.84 -0.30 0.00 -1.04 0.00 0.00 56.93 54.93 1wi7 s PHE 54 Cb -0.14 -0.26 -0.06 0.00 -1.21 0.00 0.00 43.02 41.36 1wi7 s PHE 54 CO 0.07 -0.42 1.16 -1.25 -1.34 0.00 0.00 175.22 173.44 1wi7 s PRO 55 N -3.64 4.47 0.00 1.99 0.04 -1.26 -0.20 135.00 136.41 1wi7 s PRO 55 Ca 0.04 1.73 0.20 0.00 0.04 0.00 0.00 61.00 63.00 1wi7 s PRO 55 Cb 0.05 -3.35 0.81 0.00 0.04 0.00 0.00 34.50 32.06 1wi7 s PRO 55 CO -0.09 -0.18 1.57 -1.13 0.04 0.00 0.00 177.00 177.21 1wi7 n SER 56 N 3.63 1.23 -1.82 6.66 3.41 -0.37 -3.41 113.62 122.96 1wi7 n SER 56 Ca 0.07 -1.65 0.04 0.00 -0.26 0.00 0.00 58.87 57.07 1wi7 n SER 56 Cb 0.47 -0.08 0.37 0.00 -0.26 0.00 0.00 64.21 64.70 1wi7 n SER 56 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1wi7 n ASN 57 N 0.04 5.31 -2.06 4.04 4.13 -1.26 -4.18 115.26 121.27 1wi7 n ASN 57 Ca 0.15 -3.03 0.01 0.00 1.68 0.00 0.00 54.58 53.39 1wi7 n ASN 57 Cb 0.26 -0.69 0.03 0.00 -1.54 0.00 0.00 39.78 37.84 1wi7 n ASN 57 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1wi7 n PHE 58 N 0.28 0.31 -4.01 3.10 3.72 -1.22 -5.10 117.46 114.55 1wi7 n PHE 58 Ca 0.31 -1.23 -0.04 0.00 -0.05 0.00 0.00 57.45 56.44 1wi7 n PHE 58 Cb 1.22 0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 39.77 1wi7 n PHE 58 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1wi7 n ILE 59 N -0.14 0.00 -3.43 4.37 -6.64 -1.26 -3.56 119.36 108.70 1wi7 n ILE 59 Ca 0.01 -0.47 -0.16 0.00 -1.77 0.00 0.00 62.75 60.37 1wi7 n ILE 59 Cb 0.95 0.24 -0.11 0.00 -1.44 0.00 0.00 39.64 39.28 1wi7 n ILE 59 CO 0.00 0.00 0.00 -1.59 -1.77 0.00 0.00 176.55 173.19 1wi7 s LYS 60 N -2.26 0.27 1.13 6.28 -2.85 0.41 -4.67 119.74 118.06 1wi7 s LYS 60 Ca 0.08 0.18 -0.16 0.00 -1.00 0.00 0.00 55.97 55.07 1wi7 s LYS 60 Cb 0.00 -0.85 0.18 0.00 -2.06 0.00 0.00 37.83 35.10 1wi7 s LYS 60 CO 0.05 -0.77 0.45 0.39 0.10 0.00 0.00 175.35 175.57 1wi7 n GLU 61 N 5.33 -1.85 -3.42 1.78 4.71 -1.26 -0.88 120.64 125.05 1wi7 n GLU 61 Ca -0.04 -0.51 -0.19 0.00 -0.01 0.00 0.00 57.16 56.40 1wi7 n GLU 61 Cb 0.49 -1.91 -0.11 0.00 -1.01 0.00 0.00 31.44 28.90 1wi7 n GLU 61 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1wi7 s LEU 62 N -3.72 -0.07 -0.21 -4.62 1.43 -1.22 -4.71 118.68 105.56 1wi7 s LEU 62 Ca 0.61 -0.92 -0.34 0.00 -1.03 0.00 0.00 54.13 52.45 1wi7 s LEU 62 Cb -0.18 0.34 -0.11 0.00 0.03 0.00 0.00 46.19 46.27 1wi7 s LEU 62 CO 0.66 -0.39 2.02 -1.20 0.23 0.00 0.00 176.35 177.67 1wi7 n SER 63 N 5.23 2.93 -4.52 2.29 7.64 -1.26 -4.79 113.62 121.14 1wi7 n SER 63 Ca -0.02 0.68 -0.28 0.00 1.01 0.00 0.00 58.87 60.26 1wi7 n SER 63 Cb 0.45 -1.35 0.22 0.00 -1.01 0.00 0.00 64.21 62.53 1wi7 n SER 63 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wi7 s GLY 64 N 5.74 1.54 0.01 0.23 0.00 -1.26 -4.97 107.32 108.61 1wi7 s GLY 64 Ca 1.00 -0.32 -0.20 0.00 0.00 0.00 0.00 44.72 45.20 1wi7 s GLY 64 CO 0.49 0.38 1.13 -0.56 0.00 0.00 0.00 173.10 174.55 1wi7 h PRO 65 N -2.37 0.40 0.00 2.90 0.13 -1.95 -3.47 132.00 127.65 1wi7 h PRO 65 Ca -0.58 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.16 1wi7 h PRO 65 Cb 1.34 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1wi7 h PRO 65 CO 0.53 1.05 0.00 0.45 -0.23 0.00 0.00 178.00 179.80 1wi7 n SER 66 N -4.28 0.00 0.28 1.44 2.88 -1.26 -4.34 113.62 108.34 1wi7 n SER 66 Ca -0.09 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.31 1wi7 n SER 66 Cb 0.62 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.01 1wi7 n SER 66 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wi7 h SER 67 N 0.00 -0.63 0.00 -3.46 0.02 -2.04 -3.57 113.55 103.87 1wi7 h SER 67 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1wi7 h SER 67 Cb 0.00 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1wi7 h SER 67 CO 0.00 -0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.06