#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi7 h SER 2 N 0.00 -1.59 -3.05 1.61 0.87 -2.04 -3.48 113.55 105.87 1wi7 h SER 2 Ca 0.00 0.18 0.33 0.00 -1.23 0.00 0.00 61.79 61.06 1wi7 h SER 2 Cb 0.00 0.60 -0.12 0.00 -0.44 0.00 0.00 62.40 62.44 1wi7 h SER 2 CO 0.00 -0.53 -0.76 -1.20 -0.53 0.00 0.00 176.83 173.81 1wi7 n SER 3 N -5.47 -7.56 0.00 6.23 7.64 -1.26 -4.97 113.62 108.23 1wi7 n SER 3 Ca -0.08 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1wi7 n SER 3 Cb 0.40 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.35 1wi7 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi7 n GLY 4 N -3.98 0.10 3.81 0.23 0.00 -1.26 -5.06 105.19 99.04 1wi7 n GLY 4 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 6.29 -0.29 1.61 0.01 -1.26 -5.05 113.70 114.96 1wi7 s SER 5 Ca 0.00 1.79 0.01 0.00 1.31 0.00 0.00 55.95 59.06 1wi7 s SER 5 Cb 0.00 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.84 1wi7 s SER 5 CO 0.00 -0.81 0.34 -0.55 0.41 0.00 0.00 173.24 172.62 1wi7 s SER 6 N -2.48 1.24 0.00 2.44 0.15 -1.26 -4.96 113.70 108.83 1wi7 s SER 6 Ca 0.64 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1wi7 s SER 6 Cb -0.14 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1wi7 s SER 6 CO 0.27 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1wi7 n GLY 7 N 5.28 -1.02 3.41 9.45 0.00 -1.24 -5.02 105.19 116.05 1wi7 n GLY 7 Ca -0.01 0.49 -0.20 0.00 0.00 0.00 0.00 46.02 46.31 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 1.57 -0.02 1.61 0.52 0.36 -5.00 118.95 118.00 1wi7 s ARG 8 Ca 0.00 -1.86 -0.07 0.00 -0.52 0.00 0.00 55.73 53.28 1wi7 s ARG 8 Cb 0.00 -0.70 0.01 0.00 0.52 0.00 0.00 34.95 34.78 1wi7 s ARG 8 CO 0.00 -0.21 0.15 1.03 0.02 0.00 0.00 175.30 176.29 1wi7 s ARG 9 N -3.93 0.40 0.12 3.54 0.52 -1.26 0.19 118.95 118.53 1wi7 s ARG 9 Ca 0.36 -0.21 0.01 0.00 -0.52 0.00 0.00 55.73 55.37 1wi7 s ARG 9 Cb 0.08 0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.68 1wi7 s ARG 9 CO 0.15 -0.09 -0.01 0.00 0.02 0.00 0.00 175.30 175.36 1wi7 s GLN 11 N -3.92 2.17 -0.45 0.00 0.74 -1.16 -2.54 119.66 114.50 1wi7 s GLN 11 Ca 0.17 -2.45 -0.42 0.00 0.05 0.00 0.00 55.36 52.72 1wi7 s GLN 11 Cb 0.06 -3.50 -0.18 0.00 1.10 0.00 0.00 33.01 30.50 1wi7 s GLN 11 CO -0.02 -1.12 1.65 0.28 -0.55 0.00 0.00 175.29 175.54 1wi7 n VAL 12 N 3.50 0.00 0.46 1.34 0.31 0.11 -3.80 118.33 120.25 1wi7 n VAL 12 Ca 0.05 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.49 1wi7 n VAL 12 Cb 0.36 -0.45 -0.13 0.00 -0.91 0.00 0.00 33.84 32.70 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 4.92 3.68 -3.73 3.52 0.00 -1.22 -0.80 120.51 126.88 1wi7 n ALA 13 Ca 0.37 -0.54 -0.23 0.00 0.00 0.00 0.00 53.44 53.04 1wi7 n ALA 13 Cb -0.05 -0.78 -0.17 0.00 0.00 0.00 0.00 19.45 18.45 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 0.89 0.13 0.00 0.40 -1.23 -4.78 117.98 110.12 1wi7 s PHE 14 Ca -0.00 -0.31 -0.31 0.00 -0.60 0.00 0.00 56.93 55.70 1wi7 s PHE 14 Cb 0.15 -0.85 -0.09 0.00 0.51 0.00 0.00 43.02 42.74 1wi7 s PHE 14 CO 0.88 -0.32 1.45 -1.54 0.70 0.00 0.00 175.22 176.40 1wi7 s SER 15 N 1.50 6.74 -0.11 1.36 1.04 -1.26 -4.53 113.70 118.44 1wi7 s SER 15 Ca -0.01 2.42 0.01 0.00 0.48 0.00 0.00 55.95 58.85 1wi7 s SER 15 Cb -0.13 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.42 1wi7 s SER 15 CO -0.04 -0.71 -0.12 -0.47 0.98 0.00 0.00 173.24 172.88 1wi7 s TYR 16 N 1.11 1.76 -0.16 5.02 6.14 0.23 -4.92 117.35 126.54 1wi7 s TYR 16 Ca 0.66 -0.85 -0.15 0.00 0.64 0.00 0.00 57.07 57.37 1wi7 s TYR 16 Cb -0.39 -1.33 -0.04 0.00 0.42 0.00 0.00 41.96 40.61 1wi7 s TYR 16 CO 0.31 -0.49 0.36 -0.51 0.64 0.00 0.00 175.55 175.86 1wi7 s LEU 17 N 1.24 4.23 -0.33 6.97 2.01 -1.26 -0.60 118.68 130.95 1wi7 s LEU 17 Ca -0.02 0.58 -0.29 0.00 0.01 0.00 0.00 54.13 54.41 1wi7 s LEU 17 Cb -0.14 -2.49 0.00 0.00 0.01 0.00 0.00 46.19 43.57 1wi7 s LEU 17 CO -0.04 0.03 1.36 -2.16 1.01 0.00 0.00 176.35 176.55 1wi7 s PRO 18 N 0.72 3.80 0.00 1.29 0.04 -1.26 -4.86 135.00 134.73 1wi7 s PRO 18 Ca 0.19 1.19 0.09 0.00 0.04 0.00 0.00 61.00 62.52 1wi7 s PRO 18 Cb -0.14 -3.94 0.53 0.00 0.04 0.00 0.00 34.50 30.99 1wi7 s PRO 18 CO 0.06 -1.27 1.34 1.04 0.04 0.00 0.00 177.00 178.21 1wi7 n GLN 19 N 7.58 1.03 -2.76 4.56 6.02 -1.26 -4.81 117.38 127.74 1wi7 n GLN 19 Ca 0.16 -0.04 -0.07 0.00 -0.01 0.00 0.00 57.00 57.03 1wi7 n GLN 19 Cb 0.47 -1.14 -0.02 0.00 1.02 0.00 0.00 30.24 30.56 1wi7 n GLN 19 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1wi7 n ASN 20 N -0.60 0.45 -1.15 1.08 3.02 -1.26 -5.05 115.26 111.74 1wi7 n ASN 20 Ca 0.07 -1.71 -0.03 0.00 -0.03 0.00 0.00 54.58 52.87 1wi7 n ASN 20 Cb 0.04 0.43 0.20 0.00 -0.61 0.00 0.00 39.78 39.85 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 -2.21 2.64 -0.45 6.41 -0.08 -1.26 -4.34 116.55 117.26 1wi7 n ASP 21 Ca 0.00 -3.69 0.00 0.00 -1.51 0.00 0.00 54.79 49.59 1wi7 n ASP 21 Cb 0.20 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 43.03 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 -1.07 0.00 -4.68 1.67 2.03 -1.26 -5.11 116.55 108.14 1wi7 n ASP 22 Ca 0.33 -1.60 -0.24 0.00 0.52 0.00 0.00 54.79 53.80 1wi7 n ASP 22 Cb 1.04 -0.12 -0.07 0.00 -0.72 0.00 0.00 41.12 41.24 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 2.22 0.05 -0.67 2.02 -1.26 -3.99 118.70 117.06 1wi7 s GLU 23 Ca 0.00 -1.65 -0.02 0.00 0.02 0.00 0.00 54.97 53.32 1wi7 s GLU 23 Cb 0.00 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 1wi7 s GLU 23 CO 0.00 0.13 0.24 -0.51 0.02 0.00 0.00 175.26 175.14 1wi7 s LEU 24 N -3.77 4.35 -0.57 1.80 1.43 -1.25 -4.83 118.68 115.84 1wi7 s LEU 24 Ca 0.36 0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 53.69 1wi7 s LEU 24 Cb -0.01 -2.88 0.14 0.00 0.03 0.00 0.00 46.19 43.46 1wi7 s LEU 24 CO 0.21 0.19 0.52 -0.70 0.23 0.00 0.00 176.35 176.79 1wi7 s GLU 25 N -2.28 3.00 0.12 1.70 2.12 -1.26 -4.16 118.70 117.94 1wi7 s GLU 25 Ca 0.33 -1.83 -0.30 0.00 0.36 0.00 0.00 54.97 53.52 1wi7 s GLU 25 Cb -0.13 -4.26 -0.07 0.00 0.26 0.00 0.00 34.13 29.94 1wi7 s GLU 25 CO 0.23 -1.30 1.14 -0.51 -0.54 0.00 0.00 175.26 174.28 1wi7 s LEU 26 N 1.35 4.43 -0.11 2.70 1.43 0.24 -4.84 118.68 123.87 1wi7 s LEU 26 Ca 0.06 2.05 -0.02 0.00 -1.03 0.00 0.00 54.13 55.19 1wi7 s LEU 26 Cb -0.27 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.40 1wi7 s LEU 26 CO 0.01 -0.33 0.02 -0.54 0.23 0.00 0.00 176.35 175.74 1wi7 s LYS 27 N 0.25 0.52 -0.32 1.70 1.02 -1.26 0.77 119.74 122.42 1wi7 s LYS 27 Ca 0.53 -0.04 -0.28 0.00 0.02 0.00 0.00 55.97 56.20 1wi7 s LYS 27 Cb -0.29 -1.35 -0.12 0.00 -0.52 0.00 0.00 37.83 35.55 1wi7 s LYS 27 CO 0.33 -0.44 1.37 0.28 -0.92 0.00 0.00 175.35 175.97 1wi7 n VAL 28 N 5.14 0.00 0.00 3.17 0.31 -1.26 0.25 118.33 125.95 1wi7 n VAL 28 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1wi7 n VAL 28 Cb 0.49 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 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 4.78 1.41 3.69 2.92 0.00 0.02 -5.02 105.19 113.00 1wi7 n GLY 29 Ca 0.35 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 3.05 -4.19 1.61 9.92 0.70 -4.68 116.55 122.96 1wi7 n ASP 30 Ca 0.00 1.15 -0.40 0.00 -0.53 0.00 0.00 54.79 55.01 1wi7 n ASP 30 Cb 0.00 -1.48 -0.09 0.00 -0.64 0.00 0.00 41.12 38.92 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 -0.13 4.09 -0.48 0.53 1.01 -1.26 -0.71 121.20 124.25 1wi7 s ILE 31 Ca 0.66 -2.09 -0.26 0.00 0.00 0.00 0.00 60.65 58.96 1wi7 s ILE 31 Cb -0.60 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1wi7 s ILE 31 CO 0.50 -0.80 0.96 -0.63 0.00 0.00 0.00 174.94 174.97 1wi7 s ILE 32 N 0.98 4.41 -1.10 2.92 1.01 -1.05 -4.63 121.20 123.74 1wi7 s ILE 32 Ca 0.09 0.73 -0.24 0.00 0.00 0.00 0.00 60.65 61.23 1wi7 s ILE 32 Cb -0.23 -4.48 -0.13 0.00 0.01 0.00 0.00 42.46 37.63 1wi7 s ILE 32 CO -0.02 -0.92 2.02 -1.61 0.00 0.00 0.00 174.94 174.41 1wi7 s GLU 33 N 3.91 2.04 -0.42 2.79 2.02 -0.85 -2.47 118.70 125.72 1wi7 s GLU 33 Ca 0.37 -0.75 -0.41 0.00 0.02 0.00 0.00 54.97 54.20 1wi7 s GLU 33 Cb -0.10 -5.12 -0.16 0.00 0.10 0.00 0.00 34.13 28.85 1wi7 s GLU 33 CO 0.26 -4.42 2.08 0.28 0.02 0.00 0.00 175.26 173.48 1wi7 n VAL 34 N 8.25 0.10 -0.11 2.63 0.31 0.50 -3.22 118.33 126.79 1wi7 n VAL 34 Ca 0.43 -0.10 -0.23 0.00 -0.01 0.00 0.00 64.34 64.43 1wi7 n VAL 34 Cb 0.46 -0.99 -0.12 0.00 -0.91 0.00 0.00 33.84 32.28 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 6.38 1.55 -1.03 2.52 0.24 -0.01 0.14 118.33 128.12 1wi7 n VAL 35 Ca 0.45 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1wi7 n VAL 35 Cb 0.07 -1.69 0.00 0.00 -1.47 0.00 0.00 33.84 30.76 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 1.80 4.33 3.27 7.63 0.00 0.36 -3.99 105.19 118.57 1wi7 n GLY 36 Ca -0.45 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 2.82 0.43 0.00 1.61 -6.30 -1.26 -1.99 118.70 114.01 1wi7 s GLU 37 Ca 0.00 0.58 0.00 0.00 -2.50 0.00 0.00 54.97 53.05 1wi7 s GLU 37 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 34.13 34.29 1wi7 s GLU 37 CO 0.00 -0.08 0.00 0.28 0.02 0.00 0.00 175.26 175.48 1wi7 n VAL 38 N 3.17 0.00 -4.09 3.70 0.31 -0.88 -4.73 118.33 115.81 1wi7 n VAL 38 Ca -0.15 0.40 -0.12 0.00 -0.01 0.00 0.00 64.34 64.46 1wi7 n VAL 38 Cb 0.57 -1.24 -0.06 0.00 -0.91 0.00 0.00 33.84 32.20 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 -0.81 1.64 -0.23 5.55 -1.05 -0.52 -5.01 118.70 118.28 1wi7 s GLU 39 Ca 0.00 -1.57 -0.38 0.00 -0.15 0.00 0.00 54.97 52.88 1wi7 s GLU 39 Cb 0.00 0.41 -0.14 0.00 -0.44 0.00 0.00 34.13 33.97 1wi7 s GLU 39 CO 0.00 -0.66 1.85 -1.91 0.95 0.00 0.00 175.26 175.50 1wi7 n GLU 40 N -0.44 1.45 -0.40 -4.83 2.13 -1.26 0.20 120.64 117.50 1wi7 n GLU 40 Ca 0.00 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1wi7 n GLU 40 Cb 0.63 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 30.02 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 4.60 1.28 3.01 8.31 0.00 -1.26 -5.00 105.19 116.13 1wi7 n GLY 41 Ca 0.27 0.00 -0.26 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 -3.05 1.58 0.44 1.61 0.52 0.54 -1.19 118.94 119.39 1wi7 s TRP 42 Ca 0.00 -0.65 0.06 0.00 0.02 0.00 0.00 56.10 55.52 1wi7 s TRP 42 Cb 0.00 -1.17 -0.05 0.00 -1.15 0.00 0.00 33.47 31.09 1wi7 s TRP 42 CO 0.00 -0.35 0.05 -1.58 0.02 0.00 0.00 176.95 175.09 1wi7 s TRP 43 N 0.88 2.35 -0.09 -1.98 0.51 0.28 -1.44 118.94 119.45 1wi7 s TRP 43 Ca -0.10 -0.73 0.00 0.00 -2.12 0.00 0.00 56.10 53.15 1wi7 s TRP 43 Cb -0.15 -1.78 0.02 0.00 -0.81 0.00 0.00 33.47 30.75 1wi7 s TRP 43 CO 0.01 0.32 -0.08 -2.00 -0.51 0.00 0.00 176.95 174.69 1wi7 s GLU 44 N -3.81 1.43 0.00 4.98 2.12 -0.84 -1.23 118.70 121.35 1wi7 s GLU 44 Ca 0.29 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.37 1wi7 s GLU 44 Cb 0.06 -1.43 0.00 0.00 0.26 0.00 0.00 34.13 33.02 1wi7 s GLU 44 CO 0.15 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 1wi7 n GLY 45 N 4.62 3.82 3.19 -1.50 0.00 -1.25 -0.49 105.19 113.58 1wi7 n GLY 45 Ca -0.15 -1.32 -0.27 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.06 1.61 -0.66 1.61 1.01 -1.20 -3.52 120.40 117.20 1wi7 s VAL 46 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1wi7 s VAL 46 Cb 0.00 -1.36 0.17 0.00 0.00 0.00 0.00 36.38 35.19 1wi7 s VAL 46 CO 0.00 0.46 0.47 -0.22 0.00 0.00 0.00 175.10 175.80 1wi7 s LEU 47 N -0.23 5.07 -1.10 3.92 2.96 -0.52 -2.01 118.68 126.78 1wi7 s LEU 47 Ca 0.01 -3.12 -0.02 0.00 -0.22 0.00 0.00 54.13 50.78 1wi7 s LEU 47 Cb -0.10 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.79 1wi7 s LEU 47 CO 0.01 -0.29 0.93 0.59 -1.32 0.00 0.00 176.35 176.27 1wi7 n ASN 48 N 3.08 -3.01 0.00 3.68 3.02 -1.26 -2.04 115.26 118.73 1wi7 n ASN 48 Ca 0.11 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 1wi7 n ASN 48 Cb 0.36 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 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 -1.30 2.81 3.49 7.41 0.00 -1.26 -5.02 105.19 111.32 1wi7 n GLY 49 Ca -0.19 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.59 0.02 1.61 2.20 -0.86 -4.99 119.74 116.12 1wi7 s LYS 50 Ca 0.00 0.17 -0.20 0.00 -0.36 0.00 0.00 55.97 55.57 1wi7 s LYS 50 Cb 0.00 -1.53 0.04 0.00 -1.51 0.00 0.00 37.83 34.83 1wi7 s LYS 50 CO 0.00 -4.00 0.45 0.99 -0.36 0.00 0.00 175.35 172.43 1wi7 s THR 51 N -2.70 0.04 0.00 3.43 2.01 -1.26 -1.44 115.64 115.72 1wi7 s THR 51 Ca 0.69 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1wi7 s THR 51 Cb -0.14 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1wi7 s THR 51 CO 0.58 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 1wi7 n GLY 52 N 0.73 2.31 3.72 4.40 0.00 -1.23 -4.71 105.19 110.40 1wi7 n GLY 52 Ca -0.19 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 4.56 0.10 1.61 0.23 -1.26 -3.82 119.30 118.73 1wi7 s MET 53 Ca 0.00 1.33 0.03 0.00 -1.03 0.00 0.00 55.69 56.02 1wi7 s MET 53 Cb 0.00 -3.44 -0.04 0.00 -1.53 0.00 0.00 34.83 29.82 1wi7 s MET 53 CO 0.00 0.02 -0.09 -0.59 -2.03 0.00 0.00 175.02 172.33 1wi7 s PHE 54 N 0.77 1.04 0.08 3.16 -0.12 -0.36 -3.80 117.98 118.75 1wi7 s PHE 54 Ca 0.49 -0.73 -0.30 0.00 -0.05 0.00 0.00 56.93 56.34 1wi7 s PHE 54 Cb -0.21 -0.57 -0.06 0.00 -0.63 0.00 0.00 43.02 41.56 1wi7 s PHE 54 CO 0.27 -0.02 1.16 -1.25 -0.05 0.00 0.00 175.22 175.32 1wi7 s PRO 55 N -3.15 4.47 0.00 1.99 0.04 -1.26 0.99 135.00 138.09 1wi7 s PRO 55 Ca 0.08 1.72 0.16 0.00 0.04 0.00 0.00 61.00 63.01 1wi7 s PRO 55 Cb -0.00 -3.35 0.69 0.00 0.04 0.00 0.00 34.50 31.89 1wi7 s PRO 55 CO -0.01 -0.18 1.49 -1.13 0.04 0.00 0.00 177.00 177.21 1wi7 n SER 56 N 3.64 1.09 -1.54 6.66 3.41 -0.33 -3.23 113.62 123.32 1wi7 n SER 56 Ca 0.07 -1.71 0.10 0.00 -0.26 0.00 0.00 58.87 57.07 1wi7 n SER 56 Cb 0.47 -0.09 0.35 0.00 -0.26 0.00 0.00 64.21 64.68 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 -0.02 4.67 -2.23 4.04 4.13 -1.26 -4.19 115.26 120.40 1wi7 n ASN 57 Ca 0.13 -2.41 0.01 0.00 1.68 0.00 0.00 54.58 53.99 1wi7 n ASN 57 Cb 0.22 -0.57 0.04 0.00 -1.54 0.00 0.00 39.78 37.94 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 1.14 0.81 -4.11 3.10 3.72 -1.20 -5.08 117.46 115.84 1wi7 n PHE 58 Ca 0.25 -1.51 -0.08 0.00 -0.05 0.00 0.00 57.45 56.07 1wi7 n PHE 58 Cb 0.86 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 39.17 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 -0.21 0.00 -3.36 4.37 -6.64 -1.26 -3.42 119.36 108.85 1wi7 n ILE 59 Ca 0.09 -0.94 -0.14 0.00 -1.77 0.00 0.00 62.75 59.98 1wi7 n ILE 59 Cb 0.94 0.47 -0.08 0.00 -1.44 0.00 0.00 39.64 39.52 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 -2.53 0.38 0.87 6.28 -2.85 -1.25 -4.77 119.74 115.88 1wi7 s LYS 60 Ca 0.15 -0.09 -0.16 0.00 -1.00 0.00 0.00 55.97 54.87 1wi7 s LYS 60 Cb 0.01 -0.52 -0.11 0.00 -2.06 0.00 0.00 37.83 35.15 1wi7 s LYS 60 CO 0.11 -1.05 -0.34 0.39 0.10 0.00 0.00 175.35 174.56 1wi7 n GLU 61 N 5.25 -0.01 -3.41 1.78 4.71 -1.26 -2.97 120.64 124.72 1wi7 n GLU 61 Ca 0.00 0.01 -0.21 0.00 -0.01 0.00 0.00 57.16 56.95 1wi7 n GLU 61 Cb 0.47 -1.23 -0.10 0.00 -1.01 0.00 0.00 31.44 29.58 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 5.09 0.23 0.11 -4.62 1.43 -1.21 -4.83 118.68 114.87 1wi7 s LEU 62 Ca 0.49 -1.52 -0.13 0.00 -1.03 0.00 0.00 54.13 51.93 1wi7 s LEU 62 Cb -0.26 0.21 -0.06 0.00 0.03 0.00 0.00 46.19 46.10 1wi7 s LEU 62 CO 0.74 -0.32 0.50 -0.94 0.23 0.00 0.00 176.35 176.56 1wi7 s SER 63 N 1.62 6.79 0.00 2.29 1.04 -1.26 -4.76 113.70 119.41 1wi7 s SER 63 Ca 0.15 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.58 1wi7 s SER 63 Cb -0.17 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1wi7 s SER 63 CO -0.12 0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1wi7 n GLY 64 N 0.98 3.99 3.58 7.32 0.00 -1.26 -5.01 105.19 114.79 1wi7 n GLY 64 Ca -0.07 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.73 3.26 0.03 1.61 0.04 -1.26 -4.54 135.00 131.41 1wi7 s PRO 65 Ca 0.00 -1.60 0.00 0.00 0.04 0.00 0.00 61.00 59.44 1wi7 s PRO 65 Cb 0.00 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1wi7 s PRO 65 CO 0.00 -3.11 0.00 0.43 0.04 0.00 0.00 177.00 174.36 1wi7 n SER 66 N 11.33 -7.89 0.43 6.66 7.64 -1.26 -4.92 113.62 125.60 1wi7 n SER 66 Ca 0.47 1.42 -0.17 0.00 1.01 0.00 0.00 58.87 61.59 1wi7 n SER 66 Cb 0.46 -4.29 -0.08 0.00 -1.01 0.00 0.00 64.21 59.29 1wi7 n SER 66 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wi7 h SER 67 N 3.34 -0.93 0.00 6.43 0.87 -1.95 -3.54 113.55 117.77 1wi7 h SER 67 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1wi7 h SER 67 Cb 0.00 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1wi7 h SER 67 CO 0.00 -0.58 0.00 0.61 -0.53 0.00 0.00 176.83 176.33