#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi7 n SER 2 N 0.00 -0.14 -1.80 1.61 7.64 -1.26 -5.15 113.62 114.52 1wi7 n SER 2 Ca 0.00 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1wi7 n SER 2 Cb 0.00 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1wi7 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wi7 n SER 3 N -3.29 -6.72 -4.38 6.43 2.88 -1.26 -4.89 113.62 102.39 1wi7 n SER 3 Ca 0.00 1.13 -0.45 0.00 -1.33 0.00 0.00 58.87 58.22 1wi7 n SER 3 Cb 0.00 -3.64 -0.03 0.00 -0.75 0.00 0.00 64.21 59.79 1wi7 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wi7 s GLY 4 N -0.37 2.13 -0.27 0.46 0.00 -1.26 -4.95 107.32 103.07 1wi7 s GLY 4 Ca 0.00 -2.78 -0.27 0.00 0.00 0.00 0.00 44.72 41.67 1wi7 s GLY 4 CO 0.00 1.61 1.26 -0.45 0.00 0.00 0.00 173.10 175.52 1wi7 s SER 5 N 3.13 -0.18 -0.11 1.64 0.15 -1.26 -5.15 113.70 111.92 1wi7 s SER 5 Ca 0.21 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 57.12 1wi7 s SER 5 Cb -0.13 0.26 0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1wi7 s SER 5 CO -0.04 -0.11 -0.01 -0.44 1.20 0.00 0.00 173.24 173.84 1wi7 s SER 6 N -0.46 2.07 0.00 5.45 0.01 -1.26 -5.11 113.70 114.40 1wi7 s SER 6 Ca 0.05 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1wi7 s SER 6 Cb -0.03 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.62 1wi7 s SER 6 CO -0.08 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1wi7 n GLY 7 N 5.07 -2.56 3.21 3.44 0.00 -1.26 -5.01 105.19 108.08 1wi7 n GLY 7 Ca -0.09 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 1wi7 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wi7 s ARG 8 N 0.00 0.93 0.03 1.61 0.52 -0.29 -5.01 118.95 116.75 1wi7 s ARG 8 Ca 0.00 -1.30 0.03 0.00 -0.52 0.00 0.00 55.73 53.94 1wi7 s ARG 8 Cb 0.00 -0.54 -0.02 0.00 0.52 0.00 0.00 34.95 34.91 1wi7 s ARG 8 CO 0.00 0.07 -0.09 1.03 0.02 0.00 0.00 175.30 176.33 1wi7 s ARG 9 N -3.28 0.60 0.10 3.54 0.52 -1.26 0.17 118.95 119.33 1wi7 s ARG 9 Ca 0.11 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 1wi7 s ARG 9 Cb 0.00 -0.47 -0.04 0.00 0.52 0.00 0.00 34.95 34.96 1wi7 s ARG 9 CO -0.00 0.10 -0.02 0.00 0.02 0.00 0.00 175.30 175.40 1wi7 s GLN 11 N -3.92 1.86 -0.50 0.00 0.74 -1.15 -2.64 119.66 114.06 1wi7 s GLN 11 Ca 0.14 -2.13 -0.45 0.00 0.05 0.00 0.00 55.36 52.97 1wi7 s GLN 11 Cb 0.07 -3.39 -0.19 0.00 1.10 0.00 0.00 33.01 30.59 1wi7 s GLN 11 CO -0.04 -1.04 1.87 0.28 -0.55 0.00 0.00 175.29 175.80 1wi7 n VAL 12 N 3.96 0.00 1.02 1.34 0.31 -0.13 -3.49 118.33 121.34 1wi7 n VAL 12 Ca 0.03 -0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.47 1wi7 n VAL 12 Cb 0.39 -0.51 0.03 0.00 -0.91 0.00 0.00 33.84 32.83 1wi7 n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wi7 n ALA 13 N 5.74 4.09 -3.70 3.52 0.00 -1.10 -1.40 120.51 127.67 1wi7 n ALA 13 Ca 0.43 -0.54 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 1wi7 n ALA 13 Cb -0.05 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.83 -0.42 0.25 0.00 0.40 -1.22 -4.87 117.98 109.30 1wi7 s PHE 14 Ca 0.13 0.95 -0.30 0.00 -0.60 0.00 0.00 56.93 57.10 1wi7 s PHE 14 Cb 0.17 0.05 -0.10 0.00 0.51 0.00 0.00 43.02 43.65 1wi7 s PHE 14 CO 0.73 -0.30 1.35 -1.12 0.70 0.00 0.00 175.22 176.58 1wi7 s SER 15 N 1.80 6.79 -0.09 1.36 0.01 -1.26 -4.51 113.70 117.80 1wi7 s SER 15 Ca -0.05 2.56 -0.00 0.00 1.31 0.00 0.00 55.95 59.77 1wi7 s SER 15 Cb -0.11 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.52 1wi7 s SER 15 CO -0.09 -0.58 -0.06 -0.47 0.41 0.00 0.00 173.24 172.44 1wi7 s TYR 16 N -0.23 1.19 -0.14 2.43 6.14 0.15 -4.90 117.35 121.99 1wi7 s TYR 16 Ca 0.56 -0.50 -0.19 0.00 0.64 0.00 0.00 57.07 57.58 1wi7 s TYR 16 Cb -0.39 -1.03 -0.04 0.00 0.42 0.00 0.00 41.96 40.92 1wi7 s TYR 16 CO 0.43 -0.39 0.51 -0.51 0.64 0.00 0.00 175.55 176.24 1wi7 s LEU 17 N 1.49 4.23 -0.32 6.97 2.01 -1.26 -0.76 118.68 131.05 1wi7 s LEU 17 Ca -0.00 0.80 -0.29 0.00 0.01 0.00 0.00 54.13 54.65 1wi7 s LEU 17 Cb -0.13 -2.74 0.00 0.00 0.01 0.00 0.00 46.19 43.33 1wi7 s LEU 17 CO -0.05 -0.07 1.36 -2.16 1.01 0.00 0.00 176.35 176.44 1wi7 s PRO 18 N 1.00 3.82 0.00 1.29 0.04 -1.26 -4.86 135.00 135.03 1wi7 s PRO 18 Ca 0.26 1.22 0.08 0.00 0.04 0.00 0.00 61.00 62.60 1wi7 s PRO 18 Cb -0.15 -3.93 0.42 0.00 0.04 0.00 0.00 34.50 30.88 1wi7 s PRO 18 CO 0.11 -1.24 1.28 1.04 0.04 0.00 0.00 177.00 178.22 1wi7 n GLN 19 N 7.53 1.07 -4.03 4.56 1.13 -1.26 -4.81 117.38 121.57 1wi7 n GLN 19 Ca 0.16 -0.10 -0.19 0.00 -1.94 0.00 0.00 57.00 54.92 1wi7 n GLN 19 Cb 0.47 -1.13 -0.07 0.00 0.11 0.00 0.00 30.24 29.62 1wi7 n GLN 19 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1wi7 n ASN 20 N -0.52 -0.05 -1.74 1.08 3.02 -1.26 -5.05 115.26 110.75 1wi7 n ASN 20 Ca 0.06 -2.94 -0.16 0.00 -0.03 0.00 0.00 54.58 51.51 1wi7 n ASN 20 Cb 0.05 1.30 0.17 0.00 -0.61 0.00 0.00 39.78 40.69 1wi7 n ASN 20 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wi7 n ASP 21 N -1.76 3.59 -0.59 6.41 -0.08 -1.26 -4.19 116.55 118.67 1wi7 n ASP 21 Ca 0.03 -3.72 -0.00 0.00 -1.51 0.00 0.00 54.79 49.58 1wi7 n ASP 21 Cb 0.54 -0.73 -0.00 0.00 2.34 0.00 0.00 41.12 43.26 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 -1.10 -0.00 -4.56 1.67 2.03 -1.26 -5.11 116.55 108.22 1wi7 n ASP 22 Ca 0.47 -1.55 -0.24 0.00 0.52 0.00 0.00 54.79 54.00 1wi7 n ASP 22 Cb 1.25 -0.08 -0.09 0.00 -0.72 0.00 0.00 41.12 41.48 1wi7 n ASP 22 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1wi7 s GLU 23 N 0.00 2.00 0.05 -0.67 2.02 -1.26 -3.84 118.70 117.00 1wi7 s GLU 23 Ca 0.02 -1.57 -0.10 0.00 0.02 0.00 0.00 54.97 53.35 1wi7 s GLU 23 Cb 0.02 -1.98 -0.06 0.00 0.10 0.00 0.00 34.13 32.22 1wi7 s GLU 23 CO -0.01 0.35 0.37 -0.51 0.02 0.00 0.00 175.26 175.48 1wi7 s LEU 24 N -3.54 4.37 -0.55 1.80 1.43 -1.25 -4.83 118.68 116.11 1wi7 s LEU 24 Ca 0.30 0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 53.99 1wi7 s LEU 24 Cb -0.06 -2.86 0.11 0.00 0.03 0.00 0.00 46.19 43.41 1wi7 s LEU 24 CO 0.17 0.21 0.57 -0.70 0.23 0.00 0.00 176.35 176.84 1wi7 s GLU 25 N -1.77 3.02 0.21 1.70 2.12 -1.26 -4.30 118.70 118.42 1wi7 s GLU 25 Ca 0.31 -1.49 -0.30 0.00 0.36 0.00 0.00 54.97 53.85 1wi7 s GLU 25 Cb -0.14 -4.26 -0.08 0.00 0.26 0.00 0.00 34.13 29.90 1wi7 s GLU 25 CO 0.17 -1.38 1.12 -0.51 -0.54 0.00 0.00 175.26 174.13 1wi7 s LEU 26 N 2.06 4.50 -0.07 2.70 1.43 0.07 -4.83 118.68 124.54 1wi7 s LEU 26 Ca 0.07 2.18 -0.02 0.00 -1.03 0.00 0.00 54.13 55.32 1wi7 s LEU 26 Cb -0.27 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.38 1wi7 s LEU 26 CO 0.05 -0.23 0.05 -0.54 0.23 0.00 0.00 176.35 175.91 1wi7 s LYS 27 N -0.65 0.08 -0.37 1.70 1.02 -1.26 0.34 119.74 120.60 1wi7 s LYS 27 Ca 0.49 0.25 -0.33 0.00 0.02 0.00 0.00 55.97 56.39 1wi7 s LYS 27 Cb -0.31 -0.82 -0.14 0.00 -0.52 0.00 0.00 37.83 36.04 1wi7 s LYS 27 CO 0.37 -0.38 1.54 0.28 -0.92 0.00 0.00 175.35 176.24 1wi7 n VAL 28 N 5.26 0.00 0.00 3.17 0.31 -1.26 0.25 118.33 126.06 1wi7 n VAL 28 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1wi7 n VAL 28 Cb 0.50 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 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 5.22 2.20 3.54 2.92 0.00 -0.49 -5.02 105.19 113.57 1wi7 n GLY 29 Ca 0.38 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 1wi7 n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wi7 n ASP 30 N 0.18 0.63 -4.13 1.61 9.92 0.68 -4.59 116.55 120.85 1wi7 n ASP 30 Ca 0.00 1.13 -0.34 0.00 -0.53 0.00 0.00 54.79 55.05 1wi7 n ASP 30 Cb 0.00 -1.22 -0.14 0.00 -0.64 0.00 0.00 41.12 39.12 1wi7 n ASP 30 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1wi7 s ILE 31 N -1.12 2.82 -0.21 0.53 1.01 -1.26 -0.95 121.20 122.01 1wi7 s ILE 31 Ca 0.60 -1.67 -0.18 0.00 0.00 0.00 0.00 60.65 59.40 1wi7 s ILE 31 Cb -0.71 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 1wi7 s ILE 31 CO 0.59 -0.26 0.53 -0.63 0.00 0.00 0.00 174.94 175.16 1wi7 s ILE 32 N 1.16 5.09 -1.30 2.92 1.01 -1.08 -4.67 121.20 124.33 1wi7 s ILE 32 Ca -0.01 0.96 -0.18 0.00 0.00 0.00 0.00 60.65 61.41 1wi7 s ILE 32 Cb -0.20 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.45 1wi7 s ILE 32 CO -0.03 0.15 1.89 -0.62 0.00 0.00 0.00 174.94 176.33 1wi7 n GLU 33 N 4.99 2.83 -1.35 2.79 1.02 -1.07 -2.17 120.64 127.69 1wi7 n GLU 33 Ca -0.04 -2.94 -0.57 0.00 -0.02 0.00 0.00 57.16 53.59 1wi7 n GLU 33 Cb 0.50 -3.45 -0.10 0.00 -0.02 0.00 0.00 31.44 28.38 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 6.24 0.00 -0.10 2.62 0.31 0.46 -3.44 118.33 124.41 1wi7 n VAL 34 Ca 0.49 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.66 1wi7 n VAL 34 Cb 0.44 -0.44 -0.09 0.00 -0.91 0.00 0.00 33.84 32.85 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 4.47 1.12 -3.25 2.52 3.14 0.17 -1.14 118.33 125.35 1wi7 n VAL 35 Ca 0.36 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1wi7 n VAL 35 Cb -0.05 -1.35 0.00 0.00 -1.06 0.00 0.00 33.84 31.38 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 2.33 2.66 3.08 7.55 0.00 0.34 -4.93 105.19 116.22 1wi7 n GLY 36 Ca -0.36 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.84 1.87 -0.06 1.61 2.12 -1.26 0.15 118.70 121.29 1wi7 s GLU 37 Ca 0.00 -0.53 -0.00 0.00 0.36 0.00 0.00 54.97 54.79 1wi7 s GLU 37 Cb 0.00 -1.55 -0.00 0.00 0.26 0.00 0.00 34.13 32.84 1wi7 s GLU 37 CO 0.00 0.12 0.02 0.28 -0.54 0.00 0.00 175.26 175.14 1wi7 h VAL 38 N 5.68 0.00 -3.20 3.70 2.07 -1.61 -3.43 116.25 119.46 1wi7 h VAL 38 Ca -0.30 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1wi7 h VAL 38 Cb 1.19 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1wi7 h VAL 38 CO 0.48 0.00 0.16 -1.83 0.02 0.00 0.00 177.57 176.39 1wi7 s GLU 39 N -1.37 1.96 -0.27 1.57 -1.05 -0.16 -5.00 118.70 114.39 1wi7 s GLU 39 Ca -0.00 -1.29 -0.36 0.00 -0.15 0.00 0.00 54.97 53.17 1wi7 s GLU 39 Cb 0.00 0.58 -0.12 0.00 -0.44 0.00 0.00 34.13 34.15 1wi7 s GLU 39 CO 0.01 -0.89 2.03 -1.91 0.95 0.00 0.00 175.26 175.45 1wi7 n GLU 40 N -0.49 1.40 -0.26 -4.83 2.13 -1.26 0.20 120.64 117.53 1wi7 n GLU 40 Ca -0.05 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1wi7 n GLU 40 Cb 0.60 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.84 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 5.53 1.04 3.02 8.31 0.00 -1.26 -5.02 105.19 116.81 1wi7 n GLY 41 Ca 0.33 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.73 1.47 0.31 1.61 0.52 0.54 -1.17 118.94 119.49 1wi7 s TRP 42 Ca 0.00 -0.54 0.10 0.00 0.02 0.00 0.00 56.10 55.68 1wi7 s TRP 42 Cb 0.00 -1.08 -0.06 0.00 -1.15 0.00 0.00 33.47 31.18 1wi7 s TRP 42 CO 0.00 -0.28 -0.14 -1.58 0.02 0.00 0.00 176.95 174.97 1wi7 s TRP 43 N 0.67 2.30 -0.19 -1.98 0.51 0.16 -0.99 118.94 119.44 1wi7 s TRP 43 Ca -0.14 -0.44 0.00 0.00 -2.12 0.00 0.00 56.10 53.40 1wi7 s TRP 43 Cb -0.16 -1.17 0.01 0.00 -0.81 0.00 0.00 33.47 31.34 1wi7 s TRP 43 CO 0.04 0.62 -0.17 -2.00 -0.51 0.00 0.00 176.95 174.93 1wi7 s GLU 44 N -3.57 3.07 0.04 4.98 2.12 0.39 -1.59 118.70 124.13 1wi7 s GLU 44 Ca 0.31 -0.79 -0.00 0.00 0.36 0.00 0.00 54.97 54.85 1wi7 s GLU 44 Cb -0.01 -2.65 0.00 0.00 0.26 0.00 0.00 34.13 31.73 1wi7 s GLU 44 CO 0.15 -0.20 0.06 0.41 -0.54 0.00 0.00 175.26 175.14 1wi7 n GLY 45 N 4.64 3.00 3.68 -1.50 0.00 -1.23 0.13 105.19 113.91 1wi7 n GLY 45 Ca -0.20 -1.40 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.49 3.73 -0.34 1.61 1.01 -1.22 -3.19 120.40 119.51 1wi7 s VAL 46 Ca 0.03 -1.64 -0.00 0.00 0.00 0.00 0.00 61.98 60.38 1wi7 s VAL 46 Cb -0.00 -2.95 0.14 0.00 0.00 0.00 0.00 36.38 33.56 1wi7 s VAL 46 CO 0.02 -0.27 0.22 -0.22 0.00 0.00 0.00 175.10 174.86 1wi7 s LEU 47 N -3.43 0.77 -1.26 3.92 2.96 0.20 -2.58 118.68 119.25 1wi7 s LEU 47 Ca 0.30 -1.98 -0.01 0.00 -0.22 0.00 0.00 54.13 52.22 1wi7 s LEU 47 Cb -0.08 -0.25 0.00 0.00 0.50 0.00 0.00 46.19 46.36 1wi7 s LEU 47 CO 0.20 -0.32 0.90 0.59 -1.32 0.00 0.00 176.35 176.41 1wi7 n ASN 48 N 4.23 -2.15 0.00 3.68 3.02 -1.26 -1.24 115.26 121.54 1wi7 n ASN 48 Ca 0.10 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1wi7 n ASN 48 Cb 0.39 -4.68 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 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 -1.38 2.72 3.72 7.41 0.00 -1.26 -5.01 105.19 111.39 1wi7 n GLY 49 Ca -0.26 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 1.23 -0.08 1.61 2.20 -0.37 -5.03 119.74 119.29 1wi7 s LYS 50 Ca 0.00 0.79 -0.12 0.00 -0.36 0.00 0.00 55.97 56.28 1wi7 s LYS 50 Cb 0.00 -1.81 0.03 0.00 -1.51 0.00 0.00 37.83 34.54 1wi7 s LYS 50 CO 0.00 -2.25 0.31 0.99 -0.36 0.00 0.00 175.35 174.03 1wi7 s THR 51 N -2.95 0.02 0.00 3.43 2.01 -1.26 0.58 115.64 117.47 1wi7 s THR 51 Ca 0.63 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.45 1wi7 s THR 51 Cb -0.18 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 71.83 1wi7 s THR 51 CO 0.57 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1wi7 n GLY 52 N 2.32 0.79 3.26 4.40 0.00 -1.19 -4.80 105.19 109.97 1wi7 n GLY 52 Ca -0.16 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 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 0.51 3.24 0.17 1.61 0.23 -1.25 -3.51 119.30 120.31 1wi7 s MET 53 Ca 0.00 -0.72 0.08 0.00 -1.03 0.00 0.00 55.69 54.02 1wi7 s MET 53 Cb 0.00 -2.73 -0.04 0.00 -1.53 0.00 0.00 34.83 30.52 1wi7 s MET 53 CO 0.00 -0.08 -0.16 -0.59 -2.03 0.00 0.00 175.02 172.16 1wi7 s PHE 54 N 1.07 1.72 0.13 3.16 -0.71 -0.62 -3.84 117.98 118.90 1wi7 s PHE 54 Ca -0.00 -0.52 -0.30 0.00 -1.04 0.00 0.00 56.93 55.07 1wi7 s PHE 54 Cb -0.15 -0.84 -0.07 0.00 -1.21 0.00 0.00 43.02 40.76 1wi7 s PHE 54 CO -0.03 0.32 1.13 -1.25 -1.34 0.00 0.00 175.22 174.05 1wi7 s PRO 55 N -3.09 4.53 0.00 1.99 0.04 -1.26 0.41 135.00 137.61 1wi7 s PRO 55 Ca 0.17 1.74 0.10 0.00 0.04 0.00 0.00 61.00 63.05 1wi7 s PRO 55 Cb -0.04 -3.30 0.34 0.00 0.04 0.00 0.00 34.50 31.54 1wi7 s PRO 55 CO 0.06 -0.05 1.26 -1.13 0.04 0.00 0.00 177.00 177.18 1wi7 n SER 56 N 2.93 1.29 -1.33 6.66 3.41 -0.32 -3.23 113.62 123.04 1wi7 n SER 56 Ca 0.05 -1.93 0.12 0.00 -0.26 0.00 0.00 58.87 56.85 1wi7 n SER 56 Cb 0.46 -0.15 0.31 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.18 3.90 -2.60 4.04 4.13 -1.26 -4.22 115.26 119.43 1wi7 n ASN 57 Ca 0.10 -2.00 -0.05 0.00 1.68 0.00 0.00 54.58 54.30 1wi7 n ASN 57 Cb 0.22 -0.46 0.04 0.00 -1.54 0.00 0.00 39.78 38.04 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 1.62 1.56 -3.93 3.10 3.01 -1.20 -5.05 117.46 116.57 1wi7 n PHE 58 Ca 0.24 -2.11 -0.03 0.00 1.01 0.00 0.00 57.45 56.56 1wi7 n PHE 58 Cb 0.62 -0.25 -0.01 0.00 -0.01 0.00 0.00 39.48 39.82 1wi7 n PHE 58 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 1wi7 n ILE 59 N -0.60 0.00 -3.26 4.37 -6.64 -1.26 -2.72 119.36 109.25 1wi7 n ILE 59 Ca 0.16 -0.41 -0.05 0.00 -1.77 0.00 0.00 62.75 60.67 1wi7 n ILE 59 Cb 0.85 0.22 -0.04 0.00 -1.44 0.00 0.00 39.64 39.22 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 -2.22 0.46 0.90 6.28 -2.85 -1.23 -4.70 119.74 116.39 1wi7 s LYS 60 Ca 0.07 0.24 -0.17 0.00 -1.00 0.00 0.00 55.97 55.11 1wi7 s LYS 60 Cb 0.00 -0.14 -0.15 0.00 -2.06 0.00 0.00 37.83 35.48 1wi7 s LYS 60 CO 0.05 -1.04 -0.69 0.39 0.10 0.00 0.00 175.35 174.15 1wi7 n GLU 61 N 5.36 0.00 -3.38 1.78 1.02 -1.26 -2.92 120.64 121.24 1wi7 n GLU 61 Ca 0.02 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.99 1wi7 n GLU 61 Cb 0.51 -0.98 -0.08 0.00 -0.02 0.00 0.00 31.44 30.86 1wi7 n GLU 61 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wi7 s LEU 62 N 7.38 -0.11 0.57 -4.62 1.43 -1.17 -4.80 118.68 117.37 1wi7 s LEU 62 Ca 0.42 -1.27 -0.21 0.00 -1.03 0.00 0.00 54.13 52.04 1wi7 s LEU 62 Cb -0.22 0.52 -0.04 0.00 0.03 0.00 0.00 46.19 46.48 1wi7 s LEU 62 CO 0.79 -0.31 1.36 -0.94 0.23 0.00 0.00 176.35 177.47 1wi7 s SER 63 N 1.79 5.07 0.37 2.29 1.04 -1.26 -4.68 113.70 118.32 1wi7 s SER 63 Ca 0.14 2.76 0.00 0.00 0.48 0.00 0.00 55.95 59.33 1wi7 s SER 63 Cb -0.15 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.34 1wi7 s SER 63 CO -0.15 -1.70 0.00 0.61 0.98 0.00 0.00 173.24 172.98 1wi7 n GLY 64 N 0.78 -1.81 3.78 7.32 0.00 -1.26 -4.77 105.19 109.23 1wi7 n GLY 64 Ca 0.12 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 1wi7 n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi7 s PRO 65 N -2.08 4.22 -1.14 1.61 0.04 -1.26 -4.95 135.00 131.43 1wi7 s PRO 65 Ca 0.00 1.56 -0.19 0.00 0.04 0.00 0.00 61.00 62.40 1wi7 s PRO 65 Cb 0.00 -2.62 0.08 0.00 0.04 0.00 0.00 34.50 32.00 1wi7 s PRO 65 CO 0.00 -0.11 1.53 -1.12 0.04 0.00 0.00 177.00 177.34 1wi7 s SER 66 N -1.47 6.72 0.01 6.66 0.01 -1.26 -4.97 113.70 119.40 1wi7 s SER 66 Ca 0.56 -2.10 -0.02 0.00 1.31 0.00 0.00 55.95 55.70 1wi7 s SER 66 Cb -0.23 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 1wi7 s SER 66 CO 0.30 -1.23 0.18 -0.94 0.41 0.00 0.00 173.24 171.95 1wi7 s SER 67 N 4.27 6.29 0.00 2.44 1.04 -1.26 -5.27 113.70 121.21 1wi7 s SER 67 Ca 0.47 0.30 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1wi7 s SER 67 Cb 0.01 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.18 1wi7 s SER 67 CO -0.02 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.05