#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 -0.40 -0.12 1.61 0.01 -1.26 -5.08 113.70 108.46 1wi7 s SER 2 Ca 0.00 0.66 -0.05 0.00 1.31 0.00 0.00 55.95 57.87 1wi7 s SER 2 Cb 0.00 0.63 -0.02 0.00 0.21 0.00 0.00 66.02 66.84 1wi7 s SER 2 CO 0.00 -0.21 -0.09 0.28 0.41 0.00 0.00 173.24 173.63 1wi7 h SER 3 N 3.54 0.00 -0.25 2.44 0.02 -2.11 -3.50 113.55 113.69 1wi7 h SER 3 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1wi7 h SER 3 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1wi7 h SER 3 CO 0.18 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 177.10 1wi7 n GLY 4 N 1.70 0.55 3.15 -3.77 0.00 -1.26 -5.05 105.19 100.51 1wi7 n GLY 4 Ca -0.04 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 1wi7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wi7 s SER 5 N -0.08 5.87 -0.28 1.61 0.15 -1.26 -4.99 113.70 114.71 1wi7 s SER 5 Ca 0.00 -3.19 -0.15 0.00 0.70 0.00 0.00 55.95 53.31 1wi7 s SER 5 Cb 0.00 -1.95 0.10 0.00 -1.71 0.00 0.00 66.02 62.46 1wi7 s SER 5 CO 0.00 -0.33 0.77 -0.94 1.20 0.00 0.00 173.24 173.94 1wi7 s SER 6 N 0.65 -0.84 0.20 5.45 1.04 -1.26 -5.11 113.70 113.83 1wi7 s SER 6 Ca 0.22 1.32 0.00 0.00 0.48 0.00 0.00 55.95 57.96 1wi7 s SER 6 Cb -0.13 1.43 0.00 0.00 0.10 0.00 0.00 66.02 67.41 1wi7 s SER 6 CO -0.08 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1wi7 n GLY 7 N 4.27 -4.79 3.99 7.32 0.00 -1.25 -5.03 105.19 109.71 1wi7 n GLY 7 Ca -0.19 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.80 2.53 -0.01 1.61 1.70 -0.80 -4.80 118.95 117.37 1wi7 s ARG 8 Ca 0.00 -1.04 0.05 0.00 -0.47 0.00 0.00 55.73 54.26 1wi7 s ARG 8 Cb 0.00 -2.58 -0.03 0.00 -0.57 0.00 0.00 34.95 31.77 1wi7 s ARG 8 CO 0.00 -0.65 -0.15 1.03 -1.08 0.00 0.00 175.30 174.45 1wi7 s ARG 9 N -4.65 2.36 -0.06 3.89 0.52 -1.26 0.96 118.95 120.71 1wi7 s ARG 9 Ca 0.58 -0.79 -0.11 0.00 -0.52 0.00 0.00 55.73 54.88 1wi7 s ARG 9 Cb -0.09 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.08 1wi7 s ARG 9 CO 0.37 0.59 0.27 0.00 0.02 0.00 0.00 175.30 176.56 1wi7 s GLN 11 N -0.62 3.24 -0.33 0.00 0.74 -0.34 -1.47 119.66 120.88 1wi7 s GLN 11 Ca -0.07 -0.81 -0.11 0.00 0.05 0.00 0.00 55.36 54.42 1wi7 s GLN 11 Cb -0.04 -2.79 -0.01 0.00 1.10 0.00 0.00 33.01 31.27 1wi7 s GLN 11 CO 0.02 0.13 0.19 0.08 -0.55 0.00 0.00 175.29 175.16 1wi7 s VAL 12 N -2.18 4.88 -0.51 1.34 1.01 0.16 -0.13 120.40 124.97 1wi7 s VAL 12 Ca 0.42 -0.37 0.23 0.00 0.00 0.00 0.00 61.98 62.26 1wi7 s VAL 12 Cb -0.09 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1wi7 s VAL 12 CO 0.32 0.01 1.18 0.00 0.00 0.00 0.00 175.10 176.61 1wi7 n ALA 13 N 5.03 2.90 -3.69 5.51 0.00 -1.21 -1.41 120.51 127.63 1wi7 n ALA 13 Ca -0.13 -0.27 -0.17 0.00 0.00 0.00 0.00 53.44 52.86 1wi7 n ALA 13 Cb 0.49 -1.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.67 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 -3.23 -0.07 0.32 0.00 0.40 -1.18 -4.81 117.98 109.40 1wi7 s PHE 14 Ca 0.04 0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 56.49 1wi7 s PHE 14 Cb 0.12 -0.31 -0.10 0.00 0.51 0.00 0.00 43.02 43.24 1wi7 s PHE 14 CO 0.76 -0.21 1.40 -1.54 0.70 0.00 0.00 175.22 176.33 1wi7 s SER 15 N 1.93 6.62 -0.08 1.36 1.04 -1.26 -4.54 113.70 118.78 1wi7 s SER 15 Ca 0.00 2.78 0.01 0.00 0.48 0.00 0.00 55.95 59.22 1wi7 s SER 15 Cb -0.12 -2.65 0.02 0.00 0.10 0.00 0.00 66.02 63.37 1wi7 s SER 15 CO -0.05 -0.68 -0.08 -0.47 0.98 0.00 0.00 173.24 172.95 1wi7 s TYR 16 N -0.76 1.27 -0.18 5.02 6.14 0.36 -4.89 117.35 124.31 1wi7 s TYR 16 Ca 0.53 -0.51 -0.16 0.00 0.64 0.00 0.00 57.07 57.57 1wi7 s TYR 16 Cb -0.42 -1.02 -0.04 0.00 0.42 0.00 0.00 41.96 40.89 1wi7 s TYR 16 CO 0.52 -0.34 0.41 -0.51 0.64 0.00 0.00 175.55 176.27 1wi7 s LEU 17 N 1.16 4.19 -0.31 6.97 2.01 -1.26 -0.48 118.68 130.97 1wi7 s LEU 17 Ca -0.06 0.59 -0.29 0.00 0.01 0.00 0.00 54.13 54.38 1wi7 s LEU 17 Cb -0.14 -2.55 -0.00 0.00 0.01 0.00 0.00 46.19 43.51 1wi7 s LEU 17 CO -0.02 -0.05 1.35 -2.16 1.01 0.00 0.00 176.35 176.49 1wi7 s PRO 18 N 1.09 3.85 0.00 1.29 0.04 -1.26 -4.86 135.00 135.15 1wi7 s PRO 18 Ca 0.20 1.25 0.15 0.00 0.04 0.00 0.00 61.00 62.64 1wi7 s PRO 18 Cb -0.15 -3.92 0.90 0.00 0.04 0.00 0.00 34.50 31.38 1wi7 s PRO 18 CO 0.08 -1.20 1.53 1.04 0.04 0.00 0.00 177.00 178.49 1wi7 n GLN 19 N 7.46 0.93 -2.06 4.56 1.13 -1.26 -4.79 117.38 123.35 1wi7 n GLN 19 Ca 0.15 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.21 1wi7 n GLN 19 Cb 0.47 -1.25 -0.00 0.00 0.11 0.00 0.00 30.24 29.56 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 -0.75 0.71 -0.82 1.08 3.02 -1.26 -5.05 115.26 112.19 1wi7 n ASN 20 Ca 0.11 -1.06 0.03 0.00 -0.03 0.00 0.00 54.58 53.64 1wi7 n ASN 20 Cb 0.05 0.03 0.21 0.00 -0.61 0.00 0.00 39.78 39.46 1wi7 n ASN 20 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1wi7 n ASP 21 N -2.27 2.77 -0.31 6.41 5.68 -1.26 -4.38 116.55 123.18 1wi7 n ASP 21 Ca -0.00 -3.45 0.00 0.00 -0.50 0.00 0.00 54.79 50.84 1wi7 n ASP 21 Cb 0.02 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 1wi7 n ASP 21 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1wi7 n ASP 22 N -1.00 0.00 -4.72 -1.12 -0.08 -1.26 -5.10 116.55 103.27 1wi7 n ASP 22 Ca 0.25 -1.54 -0.23 0.00 -1.51 0.00 0.00 54.79 51.76 1wi7 n ASP 22 Cb 0.88 -0.11 -0.06 0.00 2.34 0.00 0.00 41.12 44.17 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 2.48 0.04 -0.67 2.02 -1.26 -3.92 118.70 117.39 1wi7 s GLU 23 Ca 0.00 -1.36 -0.09 0.00 0.02 0.00 0.00 54.97 53.54 1wi7 s GLU 23 Cb 0.00 -2.27 -0.05 0.00 0.10 0.00 0.00 34.13 31.91 1wi7 s GLU 23 CO 0.00 0.30 0.35 -0.51 0.02 0.00 0.00 175.26 175.42 1wi7 s LEU 24 N -3.77 4.37 -0.59 1.80 1.43 -1.26 -4.83 118.68 115.83 1wi7 s LEU 24 Ca 0.34 0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 53.99 1wi7 s LEU 24 Cb -0.06 -2.83 0.14 0.00 0.03 0.00 0.00 46.19 43.47 1wi7 s LEU 24 CO 0.22 0.22 0.56 -0.70 0.23 0.00 0.00 176.35 176.87 1wi7 s GLU 25 N -1.78 3.08 0.26 1.70 2.12 -1.26 -4.25 118.70 118.57 1wi7 s GLU 25 Ca 0.30 -1.78 -0.30 0.00 0.36 0.00 0.00 54.97 53.56 1wi7 s GLU 25 Cb -0.14 -4.32 -0.09 0.00 0.26 0.00 0.00 34.13 29.84 1wi7 s GLU 25 CO 0.17 -1.35 1.10 -0.51 -0.54 0.00 0.00 175.26 174.14 1wi7 s LEU 26 N 1.51 4.54 -0.05 2.70 1.43 0.37 -4.80 118.68 124.38 1wi7 s LEU 26 Ca 0.06 2.23 -0.02 0.00 -1.03 0.00 0.00 54.13 55.37 1wi7 s LEU 26 Cb -0.27 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.37 1wi7 s LEU 26 CO 0.02 -0.17 0.08 -0.54 0.23 0.00 0.00 176.35 175.96 1wi7 s LYS 27 N -1.17 -0.06 -0.69 1.70 1.02 -1.26 0.13 119.74 119.41 1wi7 s LYS 27 Ca 0.46 0.38 -0.27 0.00 0.02 0.00 0.00 55.97 56.56 1wi7 s LYS 27 Cb -0.32 -0.55 -0.17 0.00 -0.52 0.00 0.00 37.83 36.28 1wi7 s LYS 27 CO 0.40 -0.35 2.01 0.28 -0.92 0.00 0.00 175.35 176.77 1wi7 n VAL 28 N 5.30 0.00 0.00 3.17 0.31 -1.26 0.17 118.33 126.02 1wi7 n VAL 28 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1wi7 n VAL 28 Cb 0.50 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 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 5.28 1.93 3.56 2.92 0.00 -0.50 -5.01 105.19 113.37 1wi7 n GLY 29 Ca 0.50 0.00 -0.32 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 4.47 -0.24 1.61 1.11 0.13 -4.88 116.67 116.86 1wi7 s ASP 30 Ca 0.00 -0.16 -0.01 0.00 0.18 0.00 0.00 52.55 52.55 1wi7 s ASP 30 Cb 0.00 -1.01 0.02 0.00 1.07 0.00 0.00 42.92 43.00 1wi7 s ASP 30 CO 0.00 0.30 -0.08 -0.63 1.18 0.00 0.00 175.17 175.94 1wi7 s ILE 31 N -0.93 2.76 -0.48 0.77 1.01 -1.26 0.39 121.20 123.46 1wi7 s ILE 31 Ca 0.15 -1.00 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 1wi7 s ILE 31 Cb -0.11 -2.37 0.08 0.00 0.01 0.00 0.00 42.46 40.07 1wi7 s ILE 31 CO 0.06 0.26 0.43 -0.63 0.00 0.00 0.00 174.94 175.05 1wi7 s ILE 32 N 1.32 5.19 -1.01 2.92 1.01 -0.54 -4.42 121.20 125.67 1wi7 s ILE 32 Ca 0.01 -1.04 -0.26 0.00 0.00 0.00 0.00 60.65 59.36 1wi7 s ILE 32 Cb -0.16 -4.17 -0.22 0.00 0.01 0.00 0.00 42.46 37.92 1wi7 s ILE 32 CO -0.06 -0.63 2.12 -0.62 0.00 0.00 0.00 174.94 175.75 1wi7 n GLU 33 N 5.32 0.15 -1.65 2.79 1.02 0.21 -3.73 120.64 124.75 1wi7 n GLU 33 Ca -0.12 -1.51 -0.66 0.00 -0.02 0.00 0.00 57.16 54.84 1wi7 n GLU 33 Cb 0.43 -3.79 -0.10 0.00 -0.02 0.00 0.00 31.44 27.96 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 8.90 0.00 -0.06 2.62 0.31 0.27 -2.46 118.33 127.91 1wi7 n VAL 34 Ca 0.41 -0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.66 1wi7 n VAL 34 Cb 0.46 -0.51 -0.06 0.00 -0.91 0.00 0.00 33.84 32.83 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 4.49 0.68 -2.89 2.52 3.14 0.30 -1.90 118.33 124.66 1wi7 n VAL 35 Ca 0.36 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1wi7 n VAL 35 Cb -0.05 -0.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.83 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 2.87 1.96 2.95 7.55 0.00 0.48 -4.69 105.19 116.31 1wi7 n GLY 36 Ca -0.20 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.13 0.39 -0.02 1.61 -6.30 -1.26 0.19 118.70 112.19 1wi7 s GLU 37 Ca 0.00 -0.16 -0.01 0.00 -2.50 0.00 0.00 54.97 52.30 1wi7 s GLU 37 Cb 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 34.13 33.74 1wi7 s GLU 37 CO 0.00 0.09 -0.02 0.28 0.02 0.00 0.00 175.26 175.63 1wi7 h VAL 38 N 5.09 0.00 -4.14 3.70 2.07 -1.68 -3.44 116.25 117.85 1wi7 h VAL 38 Ca -0.28 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 1wi7 h VAL 38 Cb 1.19 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.82 1wi7 h VAL 38 CO 0.50 0.00 -0.51 -1.83 0.02 0.00 0.00 177.57 175.75 1wi7 s GLU 39 N -1.14 0.94 -0.15 1.57 -1.05 -0.79 -5.03 118.70 113.05 1wi7 s GLU 39 Ca -0.02 -1.25 -0.39 0.00 -0.15 0.00 0.00 54.97 53.16 1wi7 s GLU 39 Cb 0.00 0.29 -0.16 0.00 -0.44 0.00 0.00 34.13 33.82 1wi7 s GLU 39 CO 0.02 -0.29 1.58 -1.91 0.95 0.00 0.00 175.26 175.61 1wi7 n GLU 40 N -0.10 1.08 -0.10 -4.83 2.13 -1.26 0.19 120.64 117.75 1wi7 n GLU 40 Ca -0.09 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.12 1wi7 n GLU 40 Cb 0.63 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.29 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 3.52 1.65 2.97 8.31 0.00 -1.26 -4.99 105.19 115.38 1wi7 n GLY 41 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.71 1.49 0.44 1.61 0.52 0.50 -1.86 118.94 118.94 1wi7 s TRP 42 Ca 0.00 -0.66 0.06 0.00 0.02 0.00 0.00 56.10 55.52 1wi7 s TRP 42 Cb 0.00 -1.17 -0.04 0.00 -1.15 0.00 0.00 33.47 31.11 1wi7 s TRP 42 CO 0.00 -0.41 0.15 -1.58 0.02 0.00 0.00 176.95 175.13 1wi7 s TRP 43 N 1.20 2.36 -0.10 -1.98 0.51 -0.08 -1.89 118.94 118.96 1wi7 s TRP 43 Ca -0.04 -0.69 -0.00 0.00 -2.12 0.00 0.00 56.10 53.24 1wi7 s TRP 43 Cb -0.14 -1.87 0.02 0.00 -0.81 0.00 0.00 33.47 30.67 1wi7 s TRP 43 CO -0.03 0.16 -0.07 -2.00 -0.51 0.00 0.00 176.95 174.50 1wi7 s GLU 44 N -3.91 1.42 0.00 4.98 2.12 0.51 -1.72 118.70 122.09 1wi7 s GLU 44 Ca 0.34 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.45 1wi7 s GLU 44 Cb 0.04 -1.49 0.00 0.00 0.26 0.00 0.00 34.13 32.94 1wi7 s GLU 44 CO 0.19 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 1wi7 n GLY 45 N 4.87 3.49 3.07 -1.50 0.00 -1.19 0.18 105.19 114.11 1wi7 n GLY 45 Ca -0.13 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.27 1.71 -0.03 1.61 1.01 -1.03 -3.10 120.40 118.31 1wi7 s VAL 46 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 1wi7 s VAL 46 Cb 0.00 -1.57 -0.07 0.00 0.00 0.00 0.00 36.38 34.74 1wi7 s VAL 46 CO 0.00 0.48 0.58 0.25 0.00 0.00 0.00 175.10 176.41 1wi7 h LEU 47 N 7.81 -0.40 -5.09 3.92 5.85 -1.77 0.59 115.31 126.22 1wi7 h LEU 47 Ca -0.38 0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.10 1wi7 h LEU 47 Cb 1.15 0.10 -0.17 0.00 0.37 0.00 0.00 40.66 42.12 1wi7 h LEU 47 CO 0.55 -0.01 -0.53 -0.46 -0.34 0.00 0.00 178.44 177.64 1wi7 n ASN 48 N -4.80 -2.41 0.00 1.25 2.04 -1.26 -4.55 115.26 105.53 1wi7 n ASN 48 Ca -0.06 -3.40 0.00 0.00 -0.44 0.00 0.00 54.58 50.68 1wi7 n ASN 48 Cb 0.18 1.64 0.00 0.00 -2.53 0.00 0.00 39.78 39.08 1wi7 n ASN 48 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1wi7 n GLY 49 N 1.15 3.15 0.00 4.83 0.00 -1.26 -5.03 105.19 108.03 1wi7 n GLY 49 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1wi7 n GLY 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wi7 n LYS 50 N -2.00 1.48 -3.61 1.61 4.81 -1.26 -5.09 118.16 114.09 1wi7 n LYS 50 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1wi7 n LYS 50 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1wi7 n LYS 50 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1wi7 s THR 51 N 0.74 0.00 -0.01 3.15 2.01 -1.26 -3.99 115.64 116.27 1wi7 s THR 51 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1wi7 s THR 51 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 1wi7 s THR 51 CO 0.00 0.00 0.15 0.61 -0.69 0.00 0.00 174.62 174.69 1wi7 n GLY 52 N 1.31 0.38 3.32 4.40 0.00 -1.18 -4.79 105.19 108.63 1wi7 n GLY 52 Ca -0.10 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 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 3.17 0.20 1.61 0.23 -1.25 -3.19 119.30 118.07 1wi7 s MET 53 Ca 0.04 -0.79 0.11 0.00 -1.03 0.00 0.00 55.69 54.02 1wi7 s MET 53 Cb -0.00 -3.22 -0.04 0.00 -1.53 0.00 0.00 34.83 30.04 1wi7 s MET 53 CO -0.00 -0.35 -0.21 -0.59 -2.03 0.00 0.00 175.02 171.84 1wi7 s PHE 54 N 1.48 2.36 0.09 3.16 -0.71 -0.70 -4.18 117.98 119.48 1wi7 s PHE 54 Ca 0.03 -0.33 -0.30 0.00 -1.04 0.00 0.00 56.93 55.29 1wi7 s PHE 54 Cb -0.16 -1.15 -0.06 0.00 -1.21 0.00 0.00 43.02 40.44 1wi7 s PHE 54 CO 0.00 0.53 1.15 -1.25 -1.34 0.00 0.00 175.22 174.31 1wi7 s PRO 55 N -2.80 4.49 0.00 1.99 0.04 -1.26 -0.91 135.00 136.55 1wi7 s PRO 55 Ca 0.23 1.73 0.07 0.00 0.04 0.00 0.00 61.00 63.06 1wi7 s PRO 55 Cb -0.08 -3.33 0.21 0.00 0.04 0.00 0.00 34.50 31.34 1wi7 s PRO 55 CO 0.11 -0.14 1.17 0.45 0.04 0.00 0.00 177.00 178.64 1wi7 n SER 56 N 3.41 1.01 -1.51 6.66 2.88 -0.78 -3.27 113.62 122.03 1wi7 n SER 56 Ca 0.07 -1.98 0.06 0.00 -1.33 0.00 0.00 58.87 55.69 1wi7 n SER 56 Cb 0.47 -0.12 0.34 0.00 -0.75 0.00 0.00 64.21 64.14 1wi7 n SER 56 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1wi7 n ASN 57 N 0.04 4.89 -1.86 -3.46 5.15 -1.26 -4.28 115.26 114.49 1wi7 n ASN 57 Ca 0.07 -3.02 -0.01 0.00 -0.60 0.00 0.00 54.58 51.02 1wi7 n ASN 57 Cb 0.16 -0.64 0.02 0.00 -0.53 0.00 0.00 39.78 38.80 1wi7 n ASN 57 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1wi7 n PHE 58 N 0.08 -0.09 -4.08 1.20 3.01 -1.20 -5.08 117.46 111.29 1wi7 n PHE 58 Ca 0.27 -1.07 -0.05 0.00 1.01 0.00 0.00 57.45 57.61 1wi7 n PHE 58 Cb 1.10 0.31 -0.02 0.00 -0.01 0.00 0.00 39.48 40.86 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 -0.23 0.00 -3.42 4.37 -6.64 -1.26 -3.12 119.36 109.05 1wi7 n ILE 59 Ca -0.07 -0.63 -0.15 0.00 -1.77 0.00 0.00 62.75 60.13 1wi7 n ILE 59 Cb 0.91 0.31 -0.10 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 -2.35 0.28 1.13 6.28 -2.85 0.81 -4.64 119.74 118.41 1wi7 s LYS 60 Ca 0.10 0.19 -0.16 0.00 -1.00 0.00 0.00 55.97 55.09 1wi7 s LYS 60 Cb 0.00 -0.81 0.17 0.00 -2.06 0.00 0.00 37.83 35.13 1wi7 s LYS 60 CO 0.07 -0.78 0.40 0.39 0.10 0.00 0.00 175.35 175.53 1wi7 n GLU 61 N 5.33 -1.83 -3.86 1.78 4.71 -1.26 -1.20 120.64 124.31 1wi7 n GLU 61 Ca -0.04 -0.51 -0.10 0.00 -0.01 0.00 0.00 57.16 56.50 1wi7 n GLU 61 Cb 0.49 -1.88 -0.08 0.00 -1.01 0.00 0.00 31.44 28.95 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 -3.45 1.45 -0.70 -4.62 1.43 -1.19 -4.72 118.68 106.87 1wi7 s LEU 62 Ca 0.61 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 53.21 1wi7 s LEU 62 Cb -0.17 0.91 0.01 0.00 0.03 0.00 0.00 46.19 46.96 1wi7 s LEU 62 CO 0.66 -0.57 0.65 -1.20 0.23 0.00 0.00 176.35 176.12 1wi7 n SER 63 N 0.60 -6.57 -4.95 2.29 7.64 -1.26 -4.77 113.62 106.59 1wi7 n SER 63 Ca -0.18 -0.30 -0.24 0.00 1.01 0.00 0.00 58.87 59.16 1wi7 n SER 63 Cb 0.59 -3.69 -0.02 0.00 -1.01 0.00 0.00 64.21 60.07 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 -2.78 1.45 -1.19 0.23 0.00 -1.26 -5.00 107.32 98.77 1wi7 s GLY 64 Ca 0.08 -1.08 -0.20 0.00 0.00 0.00 0.00 44.72 43.52 1wi7 s GLY 64 CO 0.82 -1.08 1.92 -1.55 0.00 0.00 0.00 173.10 173.21 1wi7 n PRO 65 N -1.08 2.32 -1.95 2.90 -0.04 -1.26 -4.91 135.00 130.98 1wi7 n PRO 65 Ca -0.07 -2.64 -0.40 0.00 -0.04 0.00 0.00 63.50 60.35 1wi7 n PRO 65 Cb 0.56 -3.42 -0.03 0.00 -0.04 0.00 0.00 33.50 30.56 1wi7 n PRO 65 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wi7 s SER 66 N 4.89 5.36 -0.48 3.54 0.15 -1.26 -4.92 113.70 120.98 1wi7 s SER 66 Ca 0.58 0.79 -0.05 0.00 0.70 0.00 0.00 55.95 57.97 1wi7 s SER 66 Cb 0.06 -2.52 0.13 0.00 -1.71 0.00 0.00 66.02 61.98 1wi7 s SER 66 CO 0.08 -2.22 0.31 -0.44 1.20 0.00 0.00 173.24 172.17 1wi7 s SER 67 N 8.01 5.43 0.00 5.45 0.01 -1.26 -5.30 113.70 126.03 1wi7 s SER 67 Ca 0.76 -2.18 0.00 0.00 1.31 0.00 0.00 55.95 55.84 1wi7 s SER 67 Cb -0.17 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1wi7 s SER 67 CO 0.26 -0.55 0.42 0.61 0.41 0.00 0.00 173.24 174.39