#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 0.28 -0.46 1.61 0.15 -1.26 -4.96 113.70 109.06 1wi7 s SER 2 Ca 0.00 -0.57 0.06 0.00 0.70 0.00 0.00 55.95 56.14 1wi7 s SER 2 Cb 0.00 0.11 0.19 0.00 -1.71 0.00 0.00 66.02 64.61 1wi7 s SER 2 CO 0.00 -0.34 0.55 -0.24 1.20 0.00 0.00 173.24 174.41 1wi7 n SER 3 N 1.40 -1.86 0.00 5.45 2.88 -1.26 -5.00 113.62 115.22 1wi7 n SER 3 Ca -0.23 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.64 1wi7 n SER 3 Cb 0.56 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.58 1wi7 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi7 n GLY 4 N 2.74 2.08 3.09 0.46 0.00 -1.26 -4.61 105.19 107.69 1wi7 n GLY 4 Ca 0.23 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.06 5.20 -0.19 1.61 0.01 -1.26 -5.03 113.70 113.97 1wi7 s SER 5 Ca 0.00 -2.92 0.01 0.00 1.31 0.00 0.00 55.95 54.35 1wi7 s SER 5 Cb 0.00 -1.84 0.04 0.00 0.21 0.00 0.00 66.02 64.43 1wi7 s SER 5 CO 0.00 -0.35 -0.09 -0.55 0.41 0.00 0.00 173.24 172.66 1wi7 s SER 6 N 0.56 3.30 0.00 2.44 0.15 -1.26 -4.93 113.70 113.95 1wi7 s SER 6 Ca 0.18 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.97 1wi7 s SER 6 Cb -0.20 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 1wi7 s SER 6 CO -0.03 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1wi7 n GLY 7 N 4.72 0.90 3.69 9.45 0.00 -1.25 -4.99 105.19 117.71 1wi7 n GLY 7 Ca -0.14 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 4.42 -0.09 1.61 0.52 -0.60 -4.71 118.95 120.10 1wi7 s ARG 8 Ca 0.00 1.50 -0.19 0.00 -0.52 0.00 0.00 55.73 56.53 1wi7 s ARG 8 Cb 0.00 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 1wi7 s ARG 8 CO 0.00 -0.32 0.51 1.03 0.02 0.00 0.00 175.30 176.54 1wi7 s ARG 9 N 1.88 4.31 0.04 3.54 0.52 -1.26 0.11 118.95 128.09 1wi7 s ARG 9 Ca 0.52 0.52 0.02 0.00 -0.52 0.00 0.00 55.73 56.27 1wi7 s ARG 9 Cb -0.21 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.83 1wi7 s ARG 9 CO 0.21 0.23 -0.08 0.00 0.02 0.00 0.00 175.30 175.67 1wi7 s GLN 11 N -1.37 3.44 -0.30 0.00 0.74 -0.50 -2.01 119.66 119.67 1wi7 s GLN 11 Ca -0.07 -0.35 -0.18 0.00 0.05 0.00 0.00 55.36 54.81 1wi7 s GLN 11 Cb -0.09 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 1wi7 s GLN 11 CO 0.01 0.66 0.50 0.08 -0.55 0.00 0.00 175.29 175.99 1wi7 s VAL 12 N -1.37 5.05 -0.22 1.34 1.01 -0.14 0.62 120.40 126.70 1wi7 s VAL 12 Ca 0.29 0.63 0.21 0.00 0.00 0.00 0.00 61.98 63.11 1wi7 s VAL 12 Cb -0.13 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1wi7 s VAL 12 CO 0.21 -0.04 1.01 0.00 0.00 0.00 0.00 175.10 176.28 1wi7 h ALA 13 N 8.23 0.54 -3.25 5.51 0.00 -1.83 -1.57 119.26 126.88 1wi7 h ALA 13 Ca -0.29 -0.16 -0.47 0.00 0.00 0.00 0.00 54.91 54.00 1wi7 h ALA 13 Cb 1.14 0.05 -0.37 0.00 0.00 0.00 0.00 17.79 18.61 1wi7 h ALA 13 CO 0.73 0.18 -0.78 -0.06 0.00 0.00 0.00 179.25 179.32 1wi7 s PHE 14 N -3.28 0.95 0.26 0.00 0.40 -1.21 -4.80 117.98 110.30 1wi7 s PHE 14 Ca -0.01 -0.36 -0.30 0.00 -0.60 0.00 0.00 56.93 55.66 1wi7 s PHE 14 Cb 0.09 -0.93 -0.11 0.00 0.51 0.00 0.00 43.02 42.58 1wi7 s PHE 14 CO 0.79 -0.38 1.56 -1.54 0.70 0.00 0.00 175.22 176.35 1wi7 s SER 15 N 1.77 6.48 -0.00 1.36 1.04 -1.26 -4.63 113.70 118.45 1wi7 s SER 15 Ca 0.03 2.82 0.06 0.00 0.48 0.00 0.00 55.95 59.34 1wi7 s SER 15 Cb -0.13 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.35 1wi7 s SER 15 CO -0.06 -0.85 -0.18 -0.47 0.98 0.00 0.00 173.24 172.66 1wi7 s TYR 16 N 0.23 1.63 -0.14 5.02 6.14 0.23 -4.91 117.35 125.54 1wi7 s TYR 16 Ca 0.64 -0.32 -0.02 0.00 0.64 0.00 0.00 57.07 58.01 1wi7 s TYR 16 Cb -0.46 -1.04 -0.02 0.00 0.42 0.00 0.00 41.96 40.86 1wi7 s TYR 16 CO 0.43 -0.01 -0.08 -0.51 0.64 0.00 0.00 175.55 176.03 1wi7 s LEU 17 N -0.56 3.03 -0.32 6.97 1.43 -1.26 -0.63 118.68 127.34 1wi7 s LEU 17 Ca 0.07 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.67 1wi7 s LEU 17 Cb -0.07 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1wi7 s LEU 17 CO -0.00 0.17 1.36 -2.16 0.23 0.00 0.00 176.35 175.95 1wi7 s PRO 18 N 0.35 3.82 0.00 1.29 0.04 -1.26 -4.86 135.00 134.38 1wi7 s PRO 18 Ca -0.07 1.21 0.07 0.00 0.04 0.00 0.00 61.00 62.25 1wi7 s PRO 18 Cb -0.15 -3.93 0.35 0.00 0.04 0.00 0.00 34.50 30.81 1wi7 s PRO 18 CO 0.04 -1.25 1.24 1.04 0.04 0.00 0.00 177.00 178.11 1wi7 n GLN 19 N 7.54 1.09 -3.87 4.56 1.13 -1.26 -4.81 117.38 121.76 1wi7 n GLN 19 Ca 0.16 -0.14 -0.16 0.00 -1.94 0.00 0.00 57.00 54.91 1wi7 n GLN 19 Cb 0.47 -1.12 -0.07 0.00 0.11 0.00 0.00 30.24 29.64 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 -0.47 -0.60 -1.82 1.08 3.02 -1.26 -5.04 115.26 110.17 1wi7 n ASN 20 Ca 0.05 -2.84 -0.18 0.00 -0.03 0.00 0.00 54.58 51.58 1wi7 n ASN 20 Cb 0.05 1.41 0.17 0.00 -0.61 0.00 0.00 39.78 40.80 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 -1.90 3.79 -0.50 6.41 2.03 -1.26 -4.15 116.55 120.97 1wi7 n ASP 21 Ca 0.07 -3.71 0.00 0.00 0.52 0.00 0.00 54.79 51.66 1wi7 n ASP 21 Cb 0.51 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 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 0.00 -4.69 1.67 -0.08 -1.26 -5.11 116.55 105.98 1wi7 n ASP 22 Ca 0.49 -1.56 -0.25 0.00 -1.51 0.00 0.00 54.79 51.96 1wi7 n ASP 22 Cb 1.27 -0.11 -0.08 0.00 2.34 0.00 0.00 41.12 44.54 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 2.14 0.05 -0.67 2.02 -1.26 -3.73 118.70 117.25 1wi7 s GLU 23 Ca 0.00 -1.90 0.02 0.00 0.02 0.00 0.00 54.97 53.11 1wi7 s GLU 23 Cb 0.00 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 1wi7 s GLU 23 CO 0.00 -0.06 0.10 -0.51 0.02 0.00 0.00 175.26 174.80 1wi7 s LEU 24 N -3.83 3.91 -0.52 1.80 1.43 -1.25 -4.70 118.68 115.52 1wi7 s LEU 24 Ca 0.39 0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 1wi7 s LEU 24 Cb 0.05 -2.49 0.13 0.00 0.03 0.00 0.00 46.19 43.91 1wi7 s LEU 24 CO 0.21 0.20 0.44 -0.70 0.23 0.00 0.00 176.35 176.74 1wi7 s GLU 25 N -2.21 2.80 0.27 1.70 2.12 -1.26 -4.03 118.70 118.09 1wi7 s GLU 25 Ca 0.28 -1.74 -0.29 0.00 0.36 0.00 0.00 54.97 53.58 1wi7 s GLU 25 Cb -0.12 -4.16 -0.09 0.00 0.26 0.00 0.00 34.13 30.02 1wi7 s GLU 25 CO 0.20 -1.28 1.02 -0.51 -0.54 0.00 0.00 175.26 174.16 1wi7 s LEU 26 N 1.49 4.55 -0.06 2.70 1.43 0.20 -4.84 118.68 124.15 1wi7 s LEU 26 Ca 0.04 2.11 -0.02 0.00 -1.03 0.00 0.00 54.13 55.23 1wi7 s LEU 26 Cb -0.28 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.29 1wi7 s LEU 26 CO 0.01 -0.04 0.04 -0.54 0.23 0.00 0.00 176.35 176.06 1wi7 s LYS 27 N -1.44 0.15 -0.73 1.70 1.02 -1.26 0.74 119.74 119.91 1wi7 s LYS 27 Ca 0.44 0.25 -0.24 0.00 0.02 0.00 0.00 55.97 56.44 1wi7 s LYS 27 Cb -0.28 -0.78 -0.16 0.00 -0.52 0.00 0.00 37.83 36.08 1wi7 s LYS 27 CO 0.36 -0.35 2.01 0.28 -0.92 0.00 0.00 175.35 176.72 1wi7 n VAL 28 N 5.25 0.00 0.00 3.17 0.31 -1.26 0.28 118.33 126.08 1wi7 n VAL 28 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1wi7 n VAL 28 Cb 0.50 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 4.93 1.99 3.65 2.92 0.00 -0.59 -5.02 105.19 113.08 1wi7 n GLY 29 Ca 0.49 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 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 4.92 -0.26 1.61 1.11 0.14 -4.90 116.67 117.30 1wi7 s ASP 30 Ca 0.00 -0.05 0.00 0.00 0.18 0.00 0.00 52.55 52.68 1wi7 s ASP 30 Cb 0.00 -1.24 0.04 0.00 1.07 0.00 0.00 42.92 42.80 1wi7 s ASP 30 CO 0.00 0.29 -0.07 -0.63 1.18 0.00 0.00 175.17 175.93 1wi7 s ILE 31 N -1.03 2.57 -0.26 0.77 1.01 -1.26 -0.96 121.20 122.04 1wi7 s ILE 31 Ca 0.18 -1.35 -0.08 0.00 0.00 0.00 0.00 60.65 59.40 1wi7 s ILE 31 Cb -0.11 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1wi7 s ILE 31 CO 0.09 0.06 0.10 -0.63 0.00 0.00 0.00 174.94 174.56 1wi7 s ILE 32 N 1.22 4.55 -1.19 2.92 1.01 -0.85 -4.67 121.20 124.18 1wi7 s ILE 32 Ca -0.04 -0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.29 1wi7 s ILE 32 Cb -0.18 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 1wi7 s ILE 32 CO -0.04 0.30 1.89 -0.62 0.00 0.00 0.00 174.94 176.47 1wi7 n GLU 33 N 4.96 2.22 -1.31 2.79 1.02 -1.14 -2.92 120.64 126.26 1wi7 n GLU 33 Ca -0.16 -2.66 -0.60 0.00 -0.02 0.00 0.00 57.16 53.73 1wi7 n GLU 33 Cb 0.51 -3.51 -0.11 0.00 -0.02 0.00 0.00 31.44 28.31 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 6.87 0.00 -0.07 2.62 0.31 0.30 -3.56 118.33 124.80 1wi7 n VAL 34 Ca 0.47 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.58 1wi7 n VAL 34 Cb 0.45 -0.48 -0.12 0.00 -0.91 0.00 0.00 33.84 32.77 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 5.82 1.63 -4.06 2.52 3.14 0.29 -1.56 118.33 126.11 1wi7 n VAL 35 Ca 0.49 -0.38 -0.14 0.00 -2.96 0.00 0.00 64.34 61.35 1wi7 n VAL 35 Cb -0.04 -1.84 -0.04 0.00 -1.06 0.00 0.00 33.84 30.86 1wi7 n VAL 35 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1wi7 s GLY 36 N -5.39 1.36 -0.38 7.55 0.00 0.02 -4.80 107.32 105.68 1wi7 s GLY 36 Ca -0.28 -1.43 -0.03 0.00 0.00 0.00 0.00 44.72 42.98 1wi7 s GLY 36 CO 0.65 -0.93 0.16 1.85 0.00 0.00 0.00 173.10 174.83 1wi7 s GLU 37 N -3.05 2.13 0.08 2.90 2.12 -1.26 0.46 118.70 122.08 1wi7 s GLU 37 Ca 0.29 -1.66 -0.29 0.00 0.36 0.00 0.00 54.97 53.67 1wi7 s GLU 37 Cb -0.01 -3.50 -0.13 0.00 0.26 0.00 0.00 34.13 30.75 1wi7 s GLU 37 CO 0.19 -0.95 1.45 -0.39 -0.54 0.00 0.00 175.26 175.02 1wi7 h VAL 38 N 6.37 0.00 -2.13 3.70 -1.51 -1.77 -3.46 116.25 117.44 1wi7 h VAL 38 Ca -0.15 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.33 1wi7 h VAL 38 Cb 1.05 0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 30.21 1wi7 h VAL 38 CO 0.66 0.00 0.12 -1.84 -1.23 0.00 0.00 177.57 175.28 1wi7 n GLU 39 N -4.93 0.29 -2.15 5.19 0.28 -1.21 -4.99 120.64 113.12 1wi7 n GLU 39 Ca -0.09 -0.59 -0.42 0.00 -0.16 0.00 0.00 57.16 55.90 1wi7 n GLU 39 Cb 0.36 0.76 -0.03 0.00 1.43 0.00 0.00 31.44 33.96 1wi7 n GLU 39 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1wi7 s GLU 40 N -2.02 4.26 0.00 3.44 2.12 -1.26 -1.70 118.70 123.54 1wi7 s GLU 40 Ca 0.06 2.05 0.00 0.00 0.36 0.00 0.00 54.97 57.44 1wi7 s GLU 40 Cb -0.01 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.78 1wi7 s GLU 40 CO 0.03 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 1wi7 n GLY 41 N 3.74 0.85 3.17 -1.50 0.00 -1.26 -5.01 105.19 105.18 1wi7 n GLY 41 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.24 0.55 0.35 1.61 0.52 -0.69 -1.94 118.94 116.10 1wi7 s TRP 42 Ca 0.00 -0.99 -0.07 0.00 0.02 0.00 0.00 56.10 55.06 1wi7 s TRP 42 Cb 0.00 -0.31 0.02 0.00 -1.15 0.00 0.00 33.47 32.03 1wi7 s TRP 42 CO 0.00 -0.51 0.57 -1.58 0.02 0.00 0.00 176.95 175.45 1wi7 s TRP 43 N -3.96 0.77 -0.06 -1.98 0.51 0.17 -3.29 118.94 111.10 1wi7 s TRP 43 Ca 0.14 -1.13 0.01 0.00 -2.12 0.00 0.00 56.10 53.00 1wi7 s TRP 43 Cb 0.07 0.19 0.02 0.00 -0.81 0.00 0.00 33.47 32.93 1wi7 s TRP 43 CO -0.05 -1.26 -0.07 -2.00 -0.51 0.00 0.00 176.95 173.07 1wi7 s GLU 44 N -2.88 1.15 0.04 4.98 2.12 0.17 -1.41 118.70 122.87 1wi7 s GLU 44 Ca 0.26 -0.21 -0.01 0.00 0.36 0.00 0.00 54.97 55.36 1wi7 s GLU 44 Cb -0.02 -1.07 0.00 0.00 0.26 0.00 0.00 34.13 33.30 1wi7 s GLU 44 CO 0.17 -0.06 0.07 0.41 -0.54 0.00 0.00 175.26 175.31 1wi7 n GLY 45 N 4.04 2.12 3.69 -1.50 0.00 -1.12 0.11 105.19 112.53 1wi7 n GLY 45 Ca -0.23 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.83 3.81 -0.34 1.61 1.01 -1.23 -2.87 120.40 119.56 1wi7 s VAL 46 Ca 0.02 -1.53 -0.00 0.00 0.00 0.00 0.00 61.98 60.47 1wi7 s VAL 46 Cb -0.00 -2.97 0.13 0.00 0.00 0.00 0.00 36.38 33.54 1wi7 s VAL 46 CO 0.01 -0.22 0.21 -0.22 0.00 0.00 0.00 175.10 174.89 1wi7 s LEU 47 N -3.28 0.80 -1.28 3.92 2.96 0.52 -2.89 118.68 119.42 1wi7 s LEU 47 Ca 0.30 -1.97 -0.01 0.00 -0.22 0.00 0.00 54.13 52.23 1wi7 s LEU 47 Cb -0.08 -0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.31 1wi7 s LEU 47 CO 0.20 -0.33 0.81 0.59 -1.32 0.00 0.00 176.35 176.30 1wi7 n ASN 48 N 4.28 -1.63 0.00 3.68 3.02 -1.26 -0.88 115.26 122.46 1wi7 n ASN 48 Ca 0.09 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 1wi7 n ASN 48 Cb 0.39 -4.40 0.00 0.00 -0.61 0.00 0.00 39.78 35.16 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 -1.45 2.88 3.69 7.41 0.00 -1.26 -5.01 105.19 111.44 1wi7 n GLY 49 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.11 -0.40 0.14 1.61 2.20 -0.06 -5.04 119.74 118.07 1wi7 s LYS 50 Ca 0.00 -0.01 -0.18 0.00 -0.36 0.00 0.00 55.97 55.42 1wi7 s LYS 50 Cb 0.00 -1.69 0.04 0.00 -1.51 0.00 0.00 37.83 34.67 1wi7 s LYS 50 CO 0.00 -3.18 0.46 0.99 -0.36 0.00 0.00 175.35 173.26 1wi7 s THR 51 N -3.19 0.05 -4.90 3.43 2.01 -1.26 -0.36 115.64 111.41 1wi7 s THR 51 Ca 0.70 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1wi7 s THR 51 Cb -0.10 -1.20 0.00 0.00 0.01 0.00 0.00 72.50 71.21 1wi7 s THR 51 CO 0.55 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1wi7 n GLY 52 N -0.27 -1.68 3.28 4.40 0.00 -1.14 -4.58 105.19 105.19 1wi7 n GLY 52 Ca -0.15 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.97 3.22 0.23 1.61 0.23 -1.24 -2.80 119.30 118.58 1wi7 s MET 53 Ca 0.00 -0.73 0.10 0.00 -1.03 0.00 0.00 55.69 54.03 1wi7 s MET 53 Cb 0.00 -3.01 -0.04 0.00 -1.53 0.00 0.00 34.83 30.25 1wi7 s MET 53 CO 0.00 -0.26 -0.08 -0.59 -2.03 0.00 0.00 175.02 172.06 1wi7 s PHE 54 N 1.44 2.59 0.08 3.16 -0.71 -0.50 -3.95 117.98 120.08 1wi7 s PHE 54 Ca 0.04 -0.24 -0.30 0.00 -1.04 0.00 0.00 56.93 55.39 1wi7 s PHE 54 Cb -0.15 -1.20 -0.06 0.00 -1.21 0.00 0.00 43.02 40.40 1wi7 s PHE 54 CO -0.04 0.58 1.16 -1.25 -1.34 0.00 0.00 175.22 174.33 1wi7 s PRO 55 N -3.24 4.47 -0.05 1.99 0.04 -1.26 0.41 135.00 137.37 1wi7 s PRO 55 Ca 0.28 1.73 0.07 0.00 0.04 0.00 0.00 61.00 63.11 1wi7 s PRO 55 Cb -0.07 -3.34 0.29 0.00 0.04 0.00 0.00 34.50 31.41 1wi7 s PRO 55 CO 0.17 -0.17 1.09 0.45 0.04 0.00 0.00 177.00 178.58 1wi7 n SER 56 N 3.61 2.21 -0.83 6.66 2.88 -0.82 -3.32 113.62 124.02 1wi7 n SER 56 Ca 0.07 -2.19 0.07 0.00 -1.33 0.00 0.00 58.87 55.50 1wi7 n SER 56 Cb 0.47 -0.39 0.21 0.00 -0.75 0.00 0.00 64.21 63.75 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 0.29 3.49 -2.30 -3.46 4.13 -1.26 -4.44 115.26 111.70 1wi7 n ASN 57 Ca 0.10 -2.46 0.00 0.00 1.68 0.00 0.00 54.58 53.91 1wi7 n ASN 57 Cb 0.44 -0.39 0.04 0.00 -1.54 0.00 0.00 39.78 38.33 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 0.15 0.41 -4.04 3.10 3.72 -1.21 -5.09 117.46 114.49 1wi7 n PHE 58 Ca 0.17 -1.49 -0.05 0.00 -0.05 0.00 0.00 57.45 56.03 1wi7 n PHE 58 Cb 0.66 0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 39.23 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 -0.35 0.00 -3.37 4.37 -6.64 -1.26 -3.35 119.36 108.76 1wi7 n ILE 59 Ca 0.01 -0.56 -0.12 0.00 -1.77 0.00 0.00 62.75 60.31 1wi7 n ILE 59 Cb 0.91 0.29 -0.08 0.00 -1.44 0.00 0.00 39.64 39.31 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 -2.31 0.34 1.10 6.28 -2.85 0.20 -4.71 119.74 117.79 1wi7 s LYS 60 Ca 0.09 0.26 -0.20 0.00 -1.00 0.00 0.00 55.97 55.13 1wi7 s LYS 60 Cb 0.00 -0.57 0.06 0.00 -2.06 0.00 0.00 37.83 35.27 1wi7 s LYS 60 CO 0.07 -0.81 -0.23 -0.85 0.10 0.00 0.00 175.35 173.62 1wi7 n GLU 61 N 5.35 -1.44 -3.73 1.78 0.28 -1.26 -1.41 120.64 120.21 1wi7 n GLU 61 Ca -0.03 -0.41 -0.12 0.00 -0.16 0.00 0.00 57.16 56.44 1wi7 n GLU 61 Cb 0.49 -1.57 -0.13 0.00 1.43 0.00 0.00 31.44 31.66 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 0.24 0.47 -0.30 -1.84 1.43 -1.20 -4.67 118.68 112.81 1wi7 s LEU 62 Ca 0.52 0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 54.03 1wi7 s LEU 62 Cb -0.08 0.73 0.18 0.00 0.03 0.00 0.00 46.19 47.06 1wi7 s LEU 62 CO 0.64 -0.16 0.90 -0.94 0.23 0.00 0.00 176.35 177.02 1wi7 s SER 63 N 1.18 -0.77 0.00 2.29 1.04 -1.26 -4.78 113.70 111.40 1wi7 s SER 63 Ca -0.09 0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1wi7 s SER 63 Cb -0.10 1.69 0.00 0.00 0.10 0.00 0.00 66.02 67.72 1wi7 s SER 63 CO -0.08 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1wi7 n GLY 64 N 5.36 -0.65 3.60 7.32 0.00 -1.26 -5.07 105.19 114.49 1wi7 n GLY 64 Ca -0.06 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.65 3.59 0.28 1.61 0.04 -1.26 -4.63 135.00 132.99 1wi7 s PRO 65 Ca 0.00 0.95 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1wi7 s PRO 65 Cb 0.00 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1wi7 s PRO 65 CO 0.00 -1.55 0.00 0.43 0.04 0.00 0.00 177.00 175.92 1wi7 n SER 66 N 8.77 -7.84 -4.77 6.66 7.64 -1.26 -4.85 113.62 117.97 1wi7 n SER 66 Ca 0.16 1.07 -0.41 0.00 1.01 0.00 0.00 58.87 60.70 1wi7 n SER 66 Cb 0.48 -3.83 -0.00 0.00 -1.01 0.00 0.00 64.21 59.84 1wi7 n SER 66 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wi7 n SER 67 N 0.47 3.73 0.00 6.43 3.41 -1.26 -5.03 113.62 121.37 1wi7 n SER 67 Ca 0.00 1.22 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 1wi7 n SER 67 Cb 0.00 -1.61 0.00 0.00 -0.26 0.00 0.00 64.21 62.34 1wi7 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49