#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 -1.69 -3.48 1.61 2.88 -1.26 -5.15 113.62 106.53 1wi7 n SER 2 Ca 0.00 0.60 -0.16 0.00 -1.33 0.00 0.00 58.87 57.99 1wi7 n SER 2 Cb 0.00 1.83 -0.04 0.00 -0.75 0.00 0.00 64.21 65.24 1wi7 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wi7 s SER 3 N -2.00 -0.62 -0.66 -3.46 0.01 -1.26 -5.11 113.70 100.60 1wi7 s SER 3 Ca 0.00 0.44 0.02 0.00 1.31 0.00 0.00 55.95 57.72 1wi7 s SER 3 Cb 0.00 0.56 0.16 0.00 0.21 0.00 0.00 66.02 66.95 1wi7 s SER 3 CO 0.00 -0.74 0.45 -0.83 0.41 0.00 0.00 173.24 172.53 1wi7 s GLY 4 N -1.79 2.71 -0.36 3.44 0.00 -1.26 -5.06 107.32 105.00 1wi7 s GLY 4 Ca -0.06 -3.53 -0.28 0.00 0.00 0.00 0.00 44.72 40.84 1wi7 s GLY 4 CO 0.01 1.08 1.06 -0.56 0.00 0.00 0.00 173.10 174.70 1wi7 s SER 5 N -0.39 6.82 -0.03 1.64 0.01 -1.26 -5.01 113.70 115.47 1wi7 s SER 5 Ca 0.21 0.84 0.07 0.00 1.31 0.00 0.00 55.95 58.38 1wi7 s SER 5 Cb -0.15 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 1wi7 s SER 5 CO -0.07 -0.96 -0.25 -0.55 0.41 0.00 0.00 173.24 171.82 1wi7 s SER 6 N 1.87 2.97 0.00 2.44 0.15 -1.26 -5.01 113.70 114.86 1wi7 s SER 6 Ca 0.45 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1wi7 s SER 6 Cb -0.11 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1wi7 s SER 6 CO 0.20 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.53 1wi7 n GLY 7 N 2.65 -0.49 4.01 9.45 0.00 -1.25 -4.97 105.19 114.59 1wi7 n GLY 7 Ca -0.16 -1.12 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.75 2.39 0.05 1.61 1.70 -0.64 -4.80 118.95 115.52 1wi7 s ARG 8 Ca 0.00 -1.23 0.08 0.00 -0.47 0.00 0.00 55.73 54.11 1wi7 s ARG 8 Cb 0.00 -2.58 -0.03 0.00 -0.57 0.00 0.00 34.95 31.76 1wi7 s ARG 8 CO 0.00 -0.77 -0.19 1.03 -1.08 0.00 0.00 175.30 174.29 1wi7 s ARG 9 N -4.69 1.99 -0.06 3.89 0.52 -1.26 0.18 118.95 119.52 1wi7 s ARG 9 Ca 0.60 -1.03 -0.11 0.00 -0.52 0.00 0.00 55.73 54.66 1wi7 s ARG 9 Cb -0.08 -2.15 0.02 0.00 0.52 0.00 0.00 34.95 33.26 1wi7 s ARG 9 CO 0.38 0.53 0.28 0.00 0.02 0.00 0.00 175.30 176.51 1wi7 s GLN 11 N -0.54 3.60 -0.30 0.00 0.74 -0.97 -1.90 119.66 120.29 1wi7 s GLN 11 Ca -0.06 -0.24 -0.29 0.00 0.05 0.00 0.00 55.36 54.82 1wi7 s GLN 11 Cb -0.04 -3.16 -0.02 0.00 1.10 0.00 0.00 33.01 30.89 1wi7 s GLN 11 CO 0.02 0.57 1.75 0.08 -0.55 0.00 0.00 175.29 177.16 1wi7 s VAL 12 N -0.46 3.53 -0.14 1.34 1.01 0.13 -1.89 120.40 123.91 1wi7 s VAL 12 Ca 0.11 0.56 0.16 0.00 0.00 0.00 0.00 61.98 62.80 1wi7 s VAL 12 Cb -0.12 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1wi7 s VAL 12 CO 0.02 -0.39 1.17 0.00 0.00 0.00 0.00 175.10 175.89 1wi7 h ALA 13 N 12.28 0.65 -3.25 5.51 0.00 -1.83 -2.15 119.26 130.47 1wi7 h ALA 13 Ca -0.34 -0.62 -0.33 0.00 0.00 0.00 0.00 54.91 53.63 1wi7 h ALA 13 Cb 1.16 0.07 -0.37 0.00 0.00 0.00 0.00 17.79 18.65 1wi7 h ALA 13 CO 1.02 0.74 -0.69 -0.06 0.00 0.00 0.00 179.25 180.27 1wi7 s PHE 14 N -2.95 -0.04 0.44 0.00 0.40 -1.15 -4.83 117.98 109.85 1wi7 s PHE 14 Ca 0.01 0.39 -0.25 0.00 -0.60 0.00 0.00 56.93 56.47 1wi7 s PHE 14 Cb 0.08 -0.35 -0.09 0.00 0.51 0.00 0.00 43.02 43.17 1wi7 s PHE 14 CO 0.78 -0.21 1.36 -1.13 0.70 0.00 0.00 175.22 176.72 1wi7 n SER 15 N 5.12 2.99 -3.78 1.36 3.41 -1.26 -4.69 113.62 116.77 1wi7 n SER 15 Ca -0.08 1.12 -0.23 0.00 -0.26 0.00 0.00 58.87 59.42 1wi7 n SER 15 Cb 0.50 -1.56 -0.17 0.00 -0.26 0.00 0.00 64.21 62.72 1wi7 n SER 15 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1wi7 s TYR 16 N -1.19 0.72 -0.12 7.33 6.14 0.17 -4.89 117.35 125.50 1wi7 s TYR 16 Ca 0.61 -0.20 -0.23 0.00 0.64 0.00 0.00 57.07 57.88 1wi7 s TYR 16 Cb -0.48 -0.82 -0.03 0.00 0.42 0.00 0.00 41.96 41.05 1wi7 s TYR 16 CO 0.58 -0.34 0.70 -0.51 0.64 0.00 0.00 175.55 176.62 1wi7 s LEU 17 N 1.92 4.24 -0.39 6.97 2.01 -1.26 -0.99 118.68 131.19 1wi7 s LEU 17 Ca 0.05 1.08 -0.29 0.00 0.01 0.00 0.00 54.13 54.98 1wi7 s LEU 17 Cb -0.12 -3.05 0.01 0.00 0.01 0.00 0.00 46.19 43.04 1wi7 s LEU 17 CO -0.05 -0.20 1.40 -2.16 1.01 0.00 0.00 176.35 176.34 1wi7 s PRO 18 N 1.33 3.63 -0.01 1.29 0.04 -1.26 -4.85 135.00 135.17 1wi7 s PRO 18 Ca 0.35 1.00 0.03 0.00 0.04 0.00 0.00 61.00 62.42 1wi7 s PRO 18 Cb -0.17 -4.00 0.09 0.00 0.04 0.00 0.00 34.50 30.46 1wi7 s PRO 18 CO 0.15 -1.49 0.99 1.04 0.04 0.00 0.00 177.00 177.73 1wi7 n GLN 19 N 7.94 1.28 -3.42 4.56 1.13 -1.26 -4.81 117.38 122.81 1wi7 n GLN 19 Ca 0.16 -0.36 -0.14 0.00 -1.94 0.00 0.00 57.00 54.72 1wi7 n GLN 19 Cb 0.48 -1.18 -0.05 0.00 0.11 0.00 0.00 30.24 29.60 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 -0.16 0.48 -1.38 1.08 3.02 -1.26 -5.05 115.26 112.00 1wi7 n ASN 20 Ca 0.03 -2.32 -0.08 0.00 -0.03 0.00 0.00 54.58 52.18 1wi7 n ASN 20 Cb 0.14 0.79 0.20 0.00 -0.61 0.00 0.00 39.78 40.30 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 -1.93 2.79 -0.76 6.41 2.03 -1.26 -4.31 116.55 119.52 1wi7 n ASP 21 Ca -0.00 -3.72 -0.02 0.00 0.52 0.00 0.00 54.79 51.57 1wi7 n ASP 21 Cb 0.37 -0.68 -0.02 0.00 -0.72 0.00 0.00 41.12 40.08 1wi7 n ASP 21 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1wi7 n ASP 22 N -1.09 -0.18 -4.57 1.67 -0.08 -1.26 -5.12 116.55 105.92 1wi7 n ASP 22 Ca 0.38 -1.58 -0.25 0.00 -1.51 0.00 0.00 54.79 51.83 1wi7 n ASP 22 Cb 1.16 0.02 -0.09 0.00 2.34 0.00 0.00 41.12 44.55 1wi7 n ASP 22 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1wi7 s GLU 23 N 0.00 2.04 0.17 -0.67 0.41 -1.26 -3.85 118.70 115.53 1wi7 s GLU 23 Ca 0.04 -1.39 -0.11 0.00 -0.41 0.00 0.00 54.97 53.10 1wi7 s GLU 23 Cb 0.05 -2.09 -0.07 0.00 -1.78 0.00 0.00 34.13 30.24 1wi7 s GLU 23 CO -0.02 0.40 0.51 -0.51 -0.49 0.00 0.00 175.26 175.15 1wi7 s LEU 24 N -3.14 4.27 -0.62 1.80 1.43 -1.22 -4.80 118.68 116.40 1wi7 s LEU 24 Ca 0.27 0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 54.15 1wi7 s LEU 24 Cb -0.08 -3.38 0.15 0.00 0.03 0.00 0.00 46.19 42.92 1wi7 s LEU 24 CO 0.16 0.04 0.56 -0.70 0.23 0.00 0.00 176.35 176.64 1wi7 s GLU 25 N -2.34 3.11 0.18 1.70 2.12 -1.26 -4.20 118.70 118.01 1wi7 s GLU 25 Ca 0.41 -1.94 -0.30 0.00 0.36 0.00 0.00 54.97 53.50 1wi7 s GLU 25 Cb -0.13 -4.29 -0.08 0.00 0.26 0.00 0.00 34.13 29.89 1wi7 s GLU 25 CO 0.20 -1.30 1.25 -0.51 -0.54 0.00 0.00 175.26 174.36 1wi7 s LEU 26 N 1.14 4.43 -0.15 2.70 1.43 -0.16 -4.81 118.68 123.25 1wi7 s LEU 26 Ca 0.08 2.29 -0.02 0.00 -1.03 0.00 0.00 54.13 55.44 1wi7 s LEU 26 Cb -0.24 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.42 1wi7 s LEU 26 CO -0.01 -0.45 0.01 -0.54 0.23 0.00 0.00 176.35 175.59 1wi7 s LYS 27 N -0.05 0.76 -0.48 1.70 -0.14 -1.26 0.43 119.74 120.70 1wi7 s LYS 27 Ca 0.55 -0.28 -0.31 0.00 -1.36 0.00 0.00 55.97 54.58 1wi7 s LYS 27 Cb -0.34 -1.76 -0.15 0.00 -1.68 0.00 0.00 37.83 33.90 1wi7 s LYS 27 CO 0.36 -0.51 1.73 0.28 -0.76 0.00 0.00 175.35 176.46 1wi7 n VAL 28 N 5.05 0.00 0.00 3.17 0.31 -1.26 0.21 118.33 125.82 1wi7 n VAL 28 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1wi7 n VAL 28 Cb 0.48 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 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 5.48 2.36 3.70 2.92 0.00 -0.81 -5.01 105.19 113.84 1wi7 n GLY 29 Ca 0.44 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 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 0.01 2.49 -4.23 1.61 9.92 0.57 -4.62 116.55 122.31 1wi7 n ASP 30 Ca 0.00 1.10 -0.34 0.00 -0.53 0.00 0.00 54.79 55.02 1wi7 n ASP 30 Cb 0.00 -1.50 -0.15 0.00 -0.64 0.00 0.00 41.12 38.84 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 -1.21 2.82 -0.25 0.53 1.01 -1.26 -0.70 121.20 122.14 1wi7 s ILE 31 Ca 0.62 -0.73 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 1wi7 s ILE 31 Cb -0.50 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 1wi7 s ILE 31 CO 0.58 0.44 0.15 -0.63 0.00 0.00 0.00 174.94 175.48 1wi7 s ILE 32 N 1.39 5.17 -0.75 2.92 1.01 -0.80 -4.53 121.20 125.61 1wi7 s ILE 32 Ca 0.05 0.12 -0.26 0.00 0.00 0.00 0.00 60.65 60.55 1wi7 s ILE 32 Cb -0.14 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.91 1wi7 s ILE 32 CO -0.07 0.31 1.51 -1.61 0.00 0.00 0.00 174.94 175.08 1wi7 s GLU 33 N 1.36 3.04 -0.30 2.79 2.02 -0.64 -3.00 118.70 123.98 1wi7 s GLU 33 Ca 0.07 -0.12 -0.35 0.00 0.02 0.00 0.00 54.97 54.59 1wi7 s GLU 33 Cb -0.15 -4.45 -0.11 0.00 0.10 0.00 0.00 34.13 29.52 1wi7 s GLU 33 CO 0.07 -2.40 2.11 0.28 0.02 0.00 0.00 175.26 175.33 1wi7 n VAL 34 N 6.78 0.26 -0.13 2.63 0.31 0.49 -2.14 118.33 126.53 1wi7 n VAL 34 Ca 0.14 -0.23 -0.20 0.00 -0.01 0.00 0.00 64.34 64.04 1wi7 n VAL 34 Cb 0.50 -1.68 -0.11 0.00 -0.91 0.00 0.00 33.84 31.63 1wi7 n VAL 34 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1wi7 n VAL 35 N 6.70 1.45 -2.37 2.52 0.24 0.89 -1.63 118.33 126.13 1wi7 n VAL 35 Ca 0.37 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1wi7 n VAL 35 Cb 0.24 -1.52 0.00 0.00 -1.47 0.00 0.00 33.84 31.09 1wi7 n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wi7 n GLY 36 N 2.04 3.09 2.92 7.63 0.00 0.69 -4.63 105.19 116.93 1wi7 n GLY 36 Ca -0.47 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 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 0.32 0.92 0.00 1.61 2.12 -1.26 0.08 118.70 122.49 1wi7 s GLU 37 Ca 0.00 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.17 1wi7 s GLU 37 Cb 0.00 -0.88 0.00 0.00 0.26 0.00 0.00 34.13 33.51 1wi7 s GLU 37 CO 0.00 -0.04 0.00 0.28 -0.54 0.00 0.00 175.26 174.96 1wi7 n VAL 38 N 3.88 0.00 -4.15 3.70 0.31 -0.86 -4.75 118.33 116.46 1wi7 n VAL 38 Ca -0.24 0.28 -0.14 0.00 -0.01 0.00 0.00 64.34 64.23 1wi7 n VAL 38 Cb 0.52 -0.83 -0.07 0.00 -0.91 0.00 0.00 33.84 32.54 1wi7 n VAL 38 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1wi7 s GLU 39 N -0.55 1.60 -0.23 5.55 -1.05 -0.44 -5.00 118.70 118.58 1wi7 s GLU 39 Ca 0.00 -1.69 -0.36 0.00 -0.15 0.00 0.00 54.97 52.77 1wi7 s GLU 39 Cb 0.00 0.37 -0.13 0.00 -0.44 0.00 0.00 34.13 33.93 1wi7 s GLU 39 CO 0.00 -0.62 1.95 -1.91 0.95 0.00 0.00 175.26 175.63 1wi7 n GLU 40 N -0.46 1.52 -0.26 -4.83 2.13 -1.26 0.19 120.64 117.67 1wi7 n GLU 40 Ca 0.02 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1wi7 n GLU 40 Cb 0.63 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.90 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 5.05 1.34 3.09 8.31 0.00 -1.26 -5.01 105.19 116.71 1wi7 n GLY 41 Ca 0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.85 1.95 0.40 1.61 0.52 0.51 -0.30 118.94 120.77 1wi7 s TRP 42 Ca 0.00 -0.82 0.07 0.00 0.02 0.00 0.00 56.10 55.37 1wi7 s TRP 42 Cb 0.00 -1.37 -0.08 0.00 -1.15 0.00 0.00 33.47 30.87 1wi7 s TRP 42 CO 0.00 -0.39 0.00 -1.58 0.02 0.00 0.00 176.95 175.00 1wi7 s TRP 43 N 0.69 2.47 -0.13 -1.98 0.51 0.10 -1.33 118.94 119.27 1wi7 s TRP 43 Ca -0.13 -0.67 0.02 0.00 -2.12 0.00 0.00 56.10 53.20 1wi7 s TRP 43 Cb -0.16 -1.71 0.01 0.00 -0.81 0.00 0.00 33.47 30.81 1wi7 s TRP 43 CO 0.03 0.43 -0.18 -2.00 -0.51 0.00 0.00 176.95 174.72 1wi7 s GLU 44 N -3.71 2.63 0.12 4.98 2.12 0.11 -1.50 118.70 123.45 1wi7 s GLU 44 Ca 0.35 -0.71 0.01 0.00 0.36 0.00 0.00 54.97 54.98 1wi7 s GLU 44 Cb 0.09 -2.21 -0.00 0.00 0.26 0.00 0.00 34.13 32.27 1wi7 s GLU 44 CO 0.18 -0.08 0.14 0.41 -0.54 0.00 0.00 175.26 175.37 1wi7 n GLY 45 N 4.26 3.17 3.29 -1.50 0.00 -1.24 -0.08 105.19 113.10 1wi7 n GLY 45 Ca -0.19 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.53 2.21 -0.76 1.61 1.01 -0.91 -3.30 120.40 117.73 1wi7 s VAL 46 Ca 0.12 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1wi7 s VAL 46 Cb 0.00 -1.81 0.19 0.00 0.00 0.00 0.00 36.38 34.76 1wi7 s VAL 46 CO 0.09 0.57 0.60 -0.22 0.00 0.00 0.00 175.10 176.14 1wi7 s LEU 47 N -0.20 5.31 -1.07 3.92 2.96 -0.25 -1.61 118.68 127.73 1wi7 s LEU 47 Ca -0.02 -3.39 -0.03 0.00 -0.22 0.00 0.00 54.13 50.47 1wi7 s LEU 47 Cb -0.13 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1wi7 s LEU 47 CO 0.03 -0.24 0.92 0.59 -1.32 0.00 0.00 176.35 176.33 1wi7 n ASN 48 N 2.75 -4.57 0.00 3.68 3.02 -1.26 -2.18 115.26 116.70 1wi7 n ASN 48 Ca 0.16 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 1wi7 n ASN 48 Cb 0.37 -5.01 0.00 0.00 -0.61 0.00 0.00 39.78 34.53 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 -1.19 2.59 3.59 7.41 0.00 -1.26 -5.00 105.19 111.33 1wi7 n GLY 49 Ca -0.16 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.96 0.09 1.61 2.20 -0.93 -5.01 119.74 116.75 1wi7 s LYS 50 Ca 0.00 0.10 -0.22 0.00 -0.36 0.00 0.00 55.97 55.50 1wi7 s LYS 50 Cb 0.00 -1.61 0.05 0.00 -1.51 0.00 0.00 37.83 34.76 1wi7 s LYS 50 CO 0.00 -3.57 0.53 0.99 -0.36 0.00 0.00 175.35 172.94 1wi7 s THR 51 N -2.94 0.03 0.00 3.43 2.01 -1.26 -1.09 115.64 115.82 1wi7 s THR 51 Ca 0.69 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1wi7 s THR 51 Cb -0.13 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.36 1wi7 s THR 51 CO 0.57 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 1wi7 n GLY 52 N 0.06 1.73 3.76 4.40 0.00 -1.21 -4.71 105.19 109.22 1wi7 n GLY 52 Ca -0.17 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.00 4.43 0.04 1.61 0.23 -1.25 -3.61 119.30 118.75 1wi7 s MET 53 Ca 0.00 0.96 -0.01 0.00 -1.03 0.00 0.00 55.69 55.61 1wi7 s MET 53 Cb 0.00 -3.34 -0.03 0.00 -1.53 0.00 0.00 34.83 29.93 1wi7 s MET 53 CO 0.00 0.36 -0.03 -0.59 -2.03 0.00 0.00 175.02 172.73 1wi7 s PHE 54 N -0.28 0.40 0.08 3.16 -0.71 -0.56 -3.38 117.98 116.69 1wi7 s PHE 54 Ca 0.35 -0.81 -0.30 0.00 -1.04 0.00 0.00 56.93 55.13 1wi7 s PHE 54 Cb -0.20 -0.30 -0.06 0.00 -1.21 0.00 0.00 43.02 41.25 1wi7 s PHE 54 CO 0.21 -0.29 1.16 -1.25 -1.34 0.00 0.00 175.22 173.71 1wi7 s PRO 55 N -2.76 4.48 -0.03 1.99 0.04 -1.26 0.02 135.00 137.48 1wi7 s PRO 55 Ca -0.04 1.72 0.10 0.00 0.04 0.00 0.00 61.00 62.82 1wi7 s PRO 55 Cb -0.00 -3.34 0.33 0.00 0.04 0.00 0.00 34.50 31.52 1wi7 s PRO 55 CO -0.06 -0.17 1.22 0.45 0.04 0.00 0.00 177.00 178.48 1wi7 n SER 56 N 3.62 2.24 -1.10 6.66 2.88 0.59 -3.44 113.62 125.07 1wi7 n SER 56 Ca 0.07 -2.11 0.09 0.00 -1.33 0.00 0.00 58.87 55.59 1wi7 n SER 56 Cb 0.47 -0.32 0.26 0.00 -0.75 0.00 0.00 64.21 63.87 1wi7 n SER 56 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1wi7 n ASN 57 N 0.48 3.77 -2.03 -3.46 4.13 -1.26 -4.32 115.26 112.57 1wi7 n ASN 57 Ca 0.12 -2.22 0.02 0.00 1.68 0.00 0.00 54.58 54.18 1wi7 n ASN 57 Cb 0.40 -0.42 0.04 0.00 -1.54 0.00 0.00 39.78 38.26 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 0.87 0.59 -4.10 3.10 3.72 -1.22 -5.08 117.46 115.34 1wi7 n PHE 58 Ca 0.20 -1.25 -0.07 0.00 -0.05 0.00 0.00 57.45 56.27 1wi7 n PHE 58 Cb 0.64 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.97 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 -0.04 0.00 -3.35 4.37 -6.64 -1.26 -2.91 119.36 109.52 1wi7 n ILE 59 Ca 0.08 -0.85 -0.11 0.00 -1.77 0.00 0.00 62.75 60.10 1wi7 n ILE 59 Cb 0.99 0.42 -0.08 0.00 -1.44 0.00 0.00 39.64 39.53 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 -2.47 0.35 1.07 6.28 -2.85 -0.79 -4.74 119.74 116.59 1wi7 s LYS 60 Ca 0.14 0.27 -0.21 0.00 -1.00 0.00 0.00 55.97 55.17 1wi7 s LYS 60 Cb 0.01 -0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 35.27 1wi7 s LYS 60 CO 0.10 -0.83 -0.52 -0.85 0.10 0.00 0.00 175.35 173.35 1wi7 n GLU 61 N 5.35 -0.97 -4.06 1.78 0.28 -1.26 -2.29 120.64 119.46 1wi7 n GLU 61 Ca -0.02 -0.27 -0.09 0.00 -0.16 0.00 0.00 57.16 56.61 1wi7 n GLU 61 Cb 0.49 -1.45 -0.09 0.00 1.43 0.00 0.00 31.44 31.82 1wi7 n GLU 61 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1wi7 s LEU 62 N 2.07 1.52 -0.00 -1.84 1.43 -0.95 -4.72 118.68 116.19 1wi7 s LEU 62 Ca 0.49 -1.04 -0.19 0.00 -1.03 0.00 0.00 54.13 52.35 1wi7 s LEU 62 Cb -0.05 0.64 0.04 0.00 0.03 0.00 0.00 46.19 46.85 1wi7 s LEU 62 CO 0.67 -0.78 0.43 -0.44 0.23 0.00 0.00 176.35 176.46 1wi7 s SER 63 N -3.00 -0.33 0.38 2.29 0.01 -1.26 -4.72 113.70 107.07 1wi7 s SER 63 Ca 0.19 0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.72 1wi7 s SER 63 Cb 0.06 0.40 -0.07 0.00 0.21 0.00 0.00 66.02 66.62 1wi7 s SER 63 CO -0.00 -0.56 -0.03 -0.83 0.41 0.00 0.00 173.24 172.22 1wi7 s GLY 64 N -1.55 2.35 -1.19 3.44 0.00 -1.26 -5.04 107.32 104.07 1wi7 s GLY 64 Ca -0.10 -2.19 -0.20 0.00 0.00 0.00 0.00 44.72 42.23 1wi7 s GLY 64 CO 0.03 -2.06 1.92 -1.55 0.00 0.00 0.00 173.10 171.44 1wi7 n PRO 65 N -0.90 2.32 -2.39 2.90 -0.04 -1.26 -4.94 135.00 130.70 1wi7 n PRO 65 Ca -0.05 -2.64 -0.34 0.00 -0.04 0.00 0.00 63.50 60.43 1wi7 n PRO 65 Cb 0.65 -3.43 -0.02 0.00 -0.04 0.00 0.00 33.50 30.67 1wi7 n PRO 65 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wi7 s SER 66 N 4.90 6.06 -0.55 3.54 0.01 -1.26 -4.97 113.70 121.43 1wi7 s SER 66 Ca 0.58 2.00 -0.27 0.00 1.31 0.00 0.00 55.95 59.56 1wi7 s SER 66 Cb 0.06 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.76 1wi7 s SER 66 CO 0.08 -0.98 1.12 -0.55 0.41 0.00 0.00 173.24 173.32 1wi7 s SER 67 N -2.01 6.47 0.00 2.44 0.15 -1.26 -5.32 113.70 114.17 1wi7 s SER 67 Ca 0.69 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1wi7 s SER 67 Cb -0.19 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1wi7 s SER 67 CO 0.24 -1.36 0.00 0.61 1.20 0.00 0.00 173.24 173.93