#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 -0.20 0.13 1.61 1.04 -1.26 -5.17 113.70 109.85 1wi7 s SER 2 Ca 0.00 0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.74 1wi7 s SER 2 Cb 0.00 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1wi7 s SER 2 CO 0.00 -0.15 0.12 -0.44 0.98 0.00 0.00 173.24 173.75 1wi7 s SER 3 N -0.20 0.23 -0.31 7.02 0.01 -1.26 -5.14 113.70 114.06 1wi7 s SER 3 Ca -0.03 -1.05 0.03 0.00 1.31 0.00 0.00 55.95 56.20 1wi7 s SER 3 Cb -0.03 0.33 0.08 0.00 0.21 0.00 0.00 66.02 66.61 1wi7 s SER 3 CO 0.01 -0.77 -0.01 -0.83 0.41 0.00 0.00 173.24 172.05 1wi7 s GLY 4 N -3.00 1.81 -0.27 3.44 0.00 -1.26 -5.08 107.32 102.96 1wi7 s GLY 4 Ca 0.19 -2.16 -0.11 0.00 0.00 0.00 0.00 44.72 42.65 1wi7 s GLY 4 CO -0.01 0.79 0.17 -1.35 0.00 0.00 0.00 173.10 172.71 1wi7 s SER 5 N 1.08 5.95 -0.30 1.64 1.04 -1.26 -5.03 113.70 116.82 1wi7 s SER 5 Ca 0.01 -0.01 -0.16 0.00 0.48 0.00 0.00 55.95 56.28 1wi7 s SER 5 Cb -0.20 -2.10 0.17 0.00 0.10 0.00 0.00 66.02 64.00 1wi7 s SER 5 CO -0.06 -0.03 1.06 -0.44 0.98 0.00 0.00 173.24 174.75 1wi7 s SER 6 N 1.61 -0.45 0.00 7.02 0.01 -1.26 -5.13 113.70 115.50 1wi7 s SER 6 Ca 0.07 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.96 1wi7 s SER 6 Cb -0.15 1.47 0.00 0.00 0.21 0.00 0.00 66.02 67.55 1wi7 s SER 6 CO 0.09 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1wi7 n GLY 7 N 4.68 1.97 3.24 3.44 0.00 -1.26 -5.15 105.19 112.10 1wi7 n GLY 7 Ca -0.10 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.47 1.01 0.04 1.61 0.52 -0.90 -5.01 118.95 113.74 1wi7 s ARG 8 Ca 0.00 -1.11 0.07 0.00 -0.52 0.00 0.00 55.73 54.17 1wi7 s ARG 8 Cb 0.00 -1.11 -0.02 0.00 0.52 0.00 0.00 34.95 34.33 1wi7 s ARG 8 CO 0.00 0.25 -0.19 1.03 0.02 0.00 0.00 175.30 176.41 1wi7 s ARG 9 N -1.99 1.32 -0.06 3.54 0.52 -1.26 0.90 118.95 121.92 1wi7 s ARG 9 Ca 0.04 -0.87 -0.12 0.00 -0.52 0.00 0.00 55.73 54.26 1wi7 s ARG 9 Cb -0.09 -1.39 0.02 0.00 0.52 0.00 0.00 34.95 34.01 1wi7 s ARG 9 CO 0.03 0.36 0.30 0.00 0.02 0.00 0.00 175.30 176.01 1wi7 s GLN 11 N -0.65 3.88 -0.18 0.00 0.74 -1.03 -1.44 119.66 120.98 1wi7 s GLN 11 Ca -0.07 -0.07 -0.29 0.00 0.05 0.00 0.00 55.36 54.97 1wi7 s GLN 11 Cb -0.04 -3.31 -0.01 0.00 1.10 0.00 0.00 33.01 30.75 1wi7 s GLN 11 CO 0.02 0.51 1.24 0.08 -0.55 0.00 0.00 175.29 176.60 1wi7 s VAL 12 N -0.29 4.32 -0.19 1.34 1.01 0.25 -1.16 120.40 125.68 1wi7 s VAL 12 Ca 0.14 1.59 0.22 0.00 0.00 0.00 0.00 61.98 63.93 1wi7 s VAL 12 Cb -0.12 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 1wi7 s VAL 12 CO 0.03 -0.16 0.88 0.00 0.00 0.00 0.00 175.10 175.85 1wi7 n ALA 13 N 6.64 2.62 -3.70 5.51 0.00 -1.13 -1.25 120.51 129.20 1wi7 n ALA 13 Ca 0.14 -0.32 -0.18 0.00 0.00 0.00 0.00 53.44 53.08 1wi7 n ALA 13 Cb 0.45 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.73 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 -3.41 0.38 0.29 0.00 0.40 -1.11 -4.75 117.98 109.78 1wi7 s PHE 14 Ca -0.03 -0.02 -0.29 0.00 -0.60 0.00 0.00 56.93 55.99 1wi7 s PHE 14 Cb 0.11 -0.49 -0.10 0.00 0.51 0.00 0.00 43.02 43.05 1wi7 s PHE 14 CO 0.82 -0.17 1.24 -1.12 0.70 0.00 0.00 175.22 176.70 1wi7 s SER 15 N 1.24 6.95 -0.06 1.36 0.01 -1.26 -4.45 113.70 117.49 1wi7 s SER 15 Ca -0.07 2.50 0.00 0.00 1.31 0.00 0.00 55.95 59.70 1wi7 s SER 15 Cb -0.13 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.48 1wi7 s SER 15 CO -0.02 -0.41 -0.05 -0.47 0.41 0.00 0.00 173.24 172.70 1wi7 s TYR 16 N -0.92 0.91 -0.17 2.43 6.14 0.29 -4.88 117.35 121.14 1wi7 s TYR 16 Ca 0.49 -0.31 -0.16 0.00 0.64 0.00 0.00 57.07 57.73 1wi7 s TYR 16 Cb -0.37 -0.83 -0.04 0.00 0.42 0.00 0.00 41.96 41.15 1wi7 s TYR 16 CO 0.47 -0.28 0.41 -0.51 0.64 0.00 0.00 175.55 176.27 1wi7 s LEU 17 N 1.28 4.21 -0.30 6.97 2.01 -1.26 -0.32 118.68 131.26 1wi7 s LEU 17 Ca -0.05 0.61 -0.29 0.00 0.01 0.00 0.00 54.13 54.41 1wi7 s LEU 17 Cb -0.14 -2.56 -0.00 0.00 0.01 0.00 0.00 46.19 43.51 1wi7 s LEU 17 CO -0.02 -0.03 1.35 -2.16 1.01 0.00 0.00 176.35 176.50 1wi7 s PRO 18 N 0.98 3.86 0.00 1.29 0.04 -1.26 -4.86 135.00 135.05 1wi7 s PRO 18 Ca 0.21 1.26 0.11 0.00 0.04 0.00 0.00 61.00 62.62 1wi7 s PRO 18 Cb -0.15 -3.92 0.66 0.00 0.04 0.00 0.00 34.50 31.14 1wi7 s PRO 18 CO 0.08 -1.20 1.42 1.04 0.04 0.00 0.00 177.00 178.38 1wi7 n GLN 19 N 7.45 0.99 -4.21 4.56 1.13 -1.26 -4.79 117.38 121.25 1wi7 n GLN 19 Ca 0.15 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.09 1wi7 n GLN 19 Cb 0.47 -1.18 -0.10 0.00 0.11 0.00 0.00 30.24 29.54 1wi7 n GLN 19 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1wi7 s ASN 20 N -1.36 0.31 -0.40 1.08 0.01 -1.26 -5.03 114.94 108.28 1wi7 s ASN 20 Ca 0.17 -1.42 0.03 0.00 -0.71 0.00 0.00 52.86 50.92 1wi7 s ASN 20 Cb 0.08 0.40 0.54 0.00 0.41 0.00 0.00 41.25 42.68 1wi7 s ASN 20 CO 0.13 -0.87 1.81 -0.67 -1.51 0.00 0.00 177.10 175.99 1wi7 n ASP 21 N -0.41 4.14 -0.42 -1.22 -0.08 -1.26 -3.74 116.55 113.56 1wi7 n ASP 21 Ca 0.03 -3.39 0.00 0.00 -1.51 0.00 0.00 54.79 49.92 1wi7 n ASP 21 Cb 0.66 -0.82 0.00 0.00 2.34 0.00 0.00 41.12 43.30 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 -0.84 0.00 -4.66 1.67 2.03 -1.26 -5.11 116.55 108.38 1wi7 n ASP 22 Ca 0.51 -1.60 -0.26 0.00 0.52 0.00 0.00 54.79 53.96 1wi7 n ASP 22 Cb 1.38 -0.12 -0.09 0.00 -0.72 0.00 0.00 41.12 41.57 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 2.08 0.10 -0.67 2.02 -1.24 -3.99 118.70 116.99 1wi7 s GLU 23 Ca 0.00 -1.93 0.02 0.00 0.02 0.00 0.00 54.97 53.08 1wi7 s GLU 23 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 1wi7 s GLU 23 CO 0.00 -0.03 0.17 -0.51 0.02 0.00 0.00 175.26 174.91 1wi7 s LEU 24 N -3.78 4.10 -0.49 1.80 1.43 -1.25 -4.77 118.68 115.72 1wi7 s LEU 24 Ca 0.37 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 1wi7 s LEU 24 Cb 0.05 -2.72 0.12 0.00 0.03 0.00 0.00 46.19 43.67 1wi7 s LEU 24 CO 0.20 0.14 0.39 -0.70 0.23 0.00 0.00 176.35 176.60 1wi7 s GLU 25 N -2.68 2.62 0.25 1.70 2.12 -1.26 -4.01 118.70 117.44 1wi7 s GLU 25 Ca 0.33 -1.74 -0.30 0.00 0.36 0.00 0.00 54.97 53.62 1wi7 s GLU 25 Cb -0.12 -4.03 -0.09 0.00 0.26 0.00 0.00 34.13 30.15 1wi7 s GLU 25 CO 0.26 -1.22 1.05 -0.51 -0.54 0.00 0.00 175.26 174.29 1wi7 s LEU 26 N 1.43 4.57 -0.11 2.70 1.43 0.57 -4.81 118.68 124.46 1wi7 s LEU 26 Ca 0.05 2.14 -0.03 0.00 -1.03 0.00 0.00 54.13 55.25 1wi7 s LEU 26 Cb -0.27 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.38 1wi7 s LEU 26 CO 0.00 -0.07 0.13 -0.54 0.23 0.00 0.00 176.35 176.11 1wi7 s LYS 27 N -1.17 0.04 -0.47 1.70 -0.14 -1.26 0.10 119.74 118.54 1wi7 s LYS 27 Ca 0.44 0.35 -0.35 0.00 -1.36 0.00 0.00 55.97 55.05 1wi7 s LYS 27 Cb -0.30 -0.76 -0.16 0.00 -1.68 0.00 0.00 37.83 34.93 1wi7 s LYS 27 CO 0.37 -0.43 1.83 0.28 -0.76 0.00 0.00 175.35 176.64 1wi7 n VAL 28 N 5.31 0.00 0.00 3.17 0.31 -1.26 0.24 118.33 126.11 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 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 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 6.04 2.17 3.78 2.92 0.00 -0.38 -5.01 105.19 114.70 1wi7 n GLY 29 Ca 0.47 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.85 6.10 -0.20 1.61 1.11 0.66 -4.73 116.67 119.38 1wi7 s ASP 30 Ca 0.00 2.18 0.01 0.00 0.18 0.00 0.00 52.55 54.92 1wi7 s ASP 30 Cb 0.00 -2.59 0.04 0.00 1.07 0.00 0.00 42.92 41.44 1wi7 s ASP 30 CO 0.00 -0.96 -0.13 -0.63 1.18 0.00 0.00 175.17 174.64 1wi7 s ILE 31 N -1.69 1.78 -0.22 0.77 1.01 -1.26 0.88 121.20 122.46 1wi7 s ILE 31 Ca 0.67 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 1wi7 s ILE 31 Cb -0.25 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1wi7 s ILE 31 CO 0.29 0.26 0.11 -0.63 0.00 0.00 0.00 174.94 174.97 1wi7 s ILE 32 N 1.35 4.98 -1.10 2.92 1.01 -0.52 -4.58 121.20 125.27 1wi7 s ILE 32 Ca -0.00 0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.48 1wi7 s ILE 32 Cb -0.16 -3.30 0.05 0.00 0.01 0.00 0.00 42.46 39.06 1wi7 s ILE 32 CO -0.09 0.38 1.55 -1.61 0.00 0.00 0.00 174.94 175.17 1wi7 s GLU 33 N 0.96 3.67 -0.40 2.79 2.02 -0.87 -2.46 118.70 124.41 1wi7 s GLU 33 Ca 0.06 -1.36 -0.40 0.00 0.02 0.00 0.00 54.97 53.29 1wi7 s GLU 33 Cb -0.14 -5.40 -0.15 0.00 0.10 0.00 0.00 34.13 28.54 1wi7 s GLU 33 CO 0.03 -2.27 2.08 0.28 0.02 0.00 0.00 175.26 175.40 1wi7 n VAL 34 N 6.78 0.12 -0.06 2.63 0.31 0.26 -3.01 118.33 125.36 1wi7 n VAL 34 Ca 0.38 -0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 64.45 1wi7 n VAL 34 Cb 0.49 -1.09 -0.14 0.00 -0.91 0.00 0.00 33.84 32.20 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 6.41 1.57 -0.94 2.52 0.24 0.19 -2.12 118.33 126.19 1wi7 n VAL 35 Ca 0.44 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1wi7 n VAL 35 Cb 0.10 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.31 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 1.89 3.37 2.96 7.63 0.00 -0.26 -4.86 105.19 115.92 1wi7 n GLY 36 Ca -0.32 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 2.21 0.12 0.00 1.61 -6.30 -1.26 -2.11 118.70 112.98 1wi7 s GLU 37 Ca 0.00 0.54 0.00 0.00 -2.50 0.00 0.00 54.97 53.01 1wi7 s GLU 37 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 34.13 33.98 1wi7 s GLU 37 CO 0.00 -0.22 0.24 0.28 0.02 0.00 0.00 175.26 175.58 1wi7 n VAL 38 N 4.72 0.00 -4.12 3.70 0.31 -0.79 -4.78 118.33 117.37 1wi7 n VAL 38 Ca -0.17 0.59 -0.14 0.00 -0.01 0.00 0.00 64.34 64.61 1wi7 n VAL 38 Cb 0.51 -1.29 -0.06 0.00 -0.91 0.00 0.00 33.84 32.10 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 -1.04 1.73 -0.25 5.55 -1.05 -0.20 -4.99 118.70 118.44 1wi7 s GLU 39 Ca 0.00 -1.70 -0.36 0.00 -0.15 0.00 0.00 54.97 52.76 1wi7 s GLU 39 Cb 0.00 0.40 -0.12 0.00 -0.44 0.00 0.00 34.13 33.97 1wi7 s GLU 39 CO 0.00 -0.69 2.00 -1.91 0.95 0.00 0.00 175.26 175.61 1wi7 n GLU 40 N -0.50 1.48 -0.29 -4.83 2.13 -1.26 0.20 120.64 117.57 1wi7 n GLU 40 Ca 0.02 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1wi7 n GLU 40 Cb 0.62 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.86 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 5.33 1.28 3.08 8.31 0.00 -1.26 -5.01 105.19 116.92 1wi7 n GLY 41 Ca 0.32 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.87 1.97 0.42 1.61 0.52 0.52 -1.17 118.94 119.94 1wi7 s TRP 42 Ca 0.00 -0.86 0.07 0.00 0.02 0.00 0.00 56.10 55.32 1wi7 s TRP 42 Cb 0.00 -1.40 -0.08 0.00 -1.15 0.00 0.00 33.47 30.85 1wi7 s TRP 42 CO 0.00 -0.42 0.01 -1.58 0.02 0.00 0.00 176.95 174.98 1wi7 s TRP 43 N 0.78 2.48 -0.09 -1.98 0.51 0.12 -1.03 118.94 119.72 1wi7 s TRP 43 Ca -0.11 -0.69 0.03 0.00 -2.12 0.00 0.00 56.10 53.21 1wi7 s TRP 43 Cb -0.16 -1.77 0.01 0.00 -0.81 0.00 0.00 33.47 30.74 1wi7 s TRP 43 CO 0.02 0.43 -0.17 -2.00 -0.51 0.00 0.00 176.95 174.73 1wi7 s GLU 44 N -3.72 2.26 0.00 4.98 2.12 -0.90 -1.53 118.70 121.91 1wi7 s GLU 44 Ca 0.33 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.07 1wi7 s GLU 44 Cb 0.09 -1.82 0.00 0.00 0.26 0.00 0.00 34.13 32.66 1wi7 s GLU 44 CO 0.17 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.34 1wi7 n GLY 45 N 3.86 2.88 3.27 -1.50 0.00 -1.25 0.53 105.19 112.98 1wi7 n GLY 45 Ca -0.21 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.57 1.91 -0.61 1.61 1.01 -1.17 -3.31 120.40 117.27 1wi7 s VAL 46 Ca 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1wi7 s VAL 46 Cb 0.00 -1.58 0.15 0.00 0.00 0.00 0.00 36.38 34.95 1wi7 s VAL 46 CO 0.00 0.54 0.39 -0.22 0.00 0.00 0.00 175.10 175.81 1wi7 s LEU 47 N -0.52 4.72 -1.04 3.92 2.96 -0.54 -2.06 118.68 126.12 1wi7 s LEU 47 Ca 0.08 -3.21 -0.01 0.00 -0.22 0.00 0.00 54.13 50.77 1wi7 s LEU 47 Cb -0.10 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.88 1wi7 s LEU 47 CO -0.00 -0.23 0.88 0.59 -1.32 0.00 0.00 176.35 176.26 1wi7 n ASN 48 N 2.90 -2.68 0.00 3.68 3.02 -1.26 -2.20 115.26 118.72 1wi7 n ASN 48 Ca 0.10 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 1wi7 n ASN 48 Cb 0.34 -4.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 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 -1.23 2.77 3.48 7.41 0.00 -1.26 -5.02 105.19 111.35 1wi7 n GLY 49 Ca -0.20 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.85 -0.02 1.61 2.47 -0.93 -4.99 119.74 116.02 1wi7 s LYS 50 Ca 0.00 0.04 -0.28 0.00 -1.56 0.00 0.00 55.97 54.17 1wi7 s LYS 50 Cb 0.00 -1.51 0.06 0.00 -1.46 0.00 0.00 37.83 34.92 1wi7 s LYS 50 CO 0.00 -4.15 0.63 0.99 0.16 0.00 0.00 175.35 172.98 1wi7 s THR 51 N -2.72 0.01 0.00 3.43 2.01 -1.26 -1.47 115.64 115.64 1wi7 s THR 51 Ca 0.70 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1wi7 s THR 51 Cb -0.12 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1wi7 s THR 51 CO 0.57 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 1wi7 n GLY 52 N 0.78 1.70 3.72 4.40 0.00 -1.21 -4.69 105.19 109.90 1wi7 n GLY 52 Ca -0.19 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 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 4.52 0.06 1.61 0.23 -1.26 -3.74 119.30 118.73 1wi7 s MET 53 Ca 0.00 1.16 0.01 0.00 -1.03 0.00 0.00 55.69 55.82 1wi7 s MET 53 Cb 0.00 -3.42 -0.04 0.00 -1.53 0.00 0.00 34.83 29.84 1wi7 s MET 53 CO 0.00 0.11 -0.05 -0.59 -2.03 0.00 0.00 175.02 172.46 1wi7 s PHE 54 N 0.54 0.64 -0.02 3.16 -0.71 -0.58 -3.83 117.98 117.18 1wi7 s PHE 54 Ca 0.43 -0.84 -0.30 0.00 -1.04 0.00 0.00 56.93 55.18 1wi7 s PHE 54 Cb -0.20 -0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.16 1wi7 s PHE 54 CO 0.24 -0.22 1.20 -1.25 -1.34 0.00 0.00 175.22 173.85 1wi7 s PRO 55 N -3.12 4.38 -0.01 1.99 0.04 -1.26 0.13 135.00 137.14 1wi7 s PRO 55 Ca 0.02 1.71 0.07 0.00 0.04 0.00 0.00 61.00 62.83 1wi7 s PRO 55 Cb 0.01 -3.50 0.21 0.00 0.04 0.00 0.00 34.50 31.26 1wi7 s PRO 55 CO -0.05 -0.39 1.12 -1.13 0.04 0.00 0.00 177.00 176.59 1wi7 n SER 56 N 4.83 1.43 -1.24 6.66 3.41 -0.31 -3.25 113.62 125.15 1wi7 n SER 56 Ca 0.10 -2.05 0.08 0.00 -0.26 0.00 0.00 58.87 56.75 1wi7 n SER 56 Cb 0.46 -0.22 0.29 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.17 4.19 -1.82 4.04 4.13 -1.26 -4.29 115.26 120.43 1wi7 n ASN 57 Ca 0.08 -2.46 0.02 0.00 1.68 0.00 0.00 54.58 53.90 1wi7 n ASN 57 Cb 0.25 -0.50 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 0.68 0.46 -4.01 3.10 3.72 -1.20 -5.08 117.46 115.12 1wi7 n PHE 58 Ca 0.22 -1.11 -0.05 0.00 -0.05 0.00 0.00 57.45 56.46 1wi7 n PHE 58 Cb 0.79 -0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.01 0.00 -3.36 4.37 -6.64 -1.26 -2.77 119.36 109.71 1wi7 n ILE 59 Ca 0.09 -0.61 -0.12 0.00 -1.77 0.00 0.00 62.75 60.34 1wi7 n ILE 59 Cb 1.01 0.32 -0.08 0.00 -1.44 0.00 0.00 39.64 39.44 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 -2.33 0.34 1.04 6.28 -2.85 -0.31 -4.74 119.74 117.16 1wi7 s LYS 60 Ca 0.10 0.24 -0.17 0.00 -1.00 0.00 0.00 55.97 55.14 1wi7 s LYS 60 Cb 0.00 -0.55 0.05 0.00 -2.06 0.00 0.00 37.83 35.27 1wi7 s LYS 60 CO 0.07 -0.84 0.04 0.39 0.10 0.00 0.00 175.35 175.12 1wi7 n GLU 61 N 5.34 -0.88 -3.67 1.78 4.71 -1.26 -2.46 120.64 124.20 1wi7 n GLU 61 Ca -0.02 -0.23 -0.18 0.00 -0.01 0.00 0.00 57.16 56.72 1wi7 n GLU 61 Cb 0.49 -1.69 -0.17 0.00 -1.01 0.00 0.00 31.44 29.07 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 -0.18 0.02 0.02 -4.62 1.43 -1.22 -4.79 118.68 109.34 1wi7 s LEU 62 Ca 0.54 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.87 1wi7 s LEU 62 Cb -0.15 0.11 -0.02 0.00 0.03 0.00 0.00 46.19 46.17 1wi7 s LEU 62 CO 0.68 -0.25 -0.01 -0.55 0.23 0.00 0.00 176.35 176.45 1wi7 s SER 63 N 2.23 0.20 0.14 2.29 0.15 -1.26 -4.77 113.70 112.68 1wi7 s SER 63 Ca 0.04 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.26 1wi7 s SER 63 Cb -0.12 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1wi7 s SER 63 CO -0.05 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1wi7 n GLY 64 N 1.74 -1.97 2.61 9.45 0.00 -1.26 -4.21 105.19 111.54 1wi7 n GLY 64 Ca -0.23 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 1wi7 n GLY 64 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wi7 n PRO 65 N -0.59 2.60 -3.37 1.61 -0.04 -1.26 -4.83 135.00 129.13 1wi7 n PRO 65 Ca 0.00 -1.89 -0.45 0.00 -0.04 0.00 0.00 63.50 61.12 1wi7 n PRO 65 Cb 0.02 -2.74 -0.06 0.00 -0.04 0.00 0.00 33.50 30.69 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 3.23 6.10 0.16 3.54 0.01 -1.26 -5.04 113.70 120.44 1wi7 s SER 66 Ca 0.53 -1.87 0.08 0.00 1.31 0.00 0.00 55.95 55.99 1wi7 s SER 66 Cb 0.14 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 1wi7 s SER 66 CO -0.03 -0.80 -0.16 -0.44 0.41 0.00 0.00 173.24 172.22 1wi7 s SER 67 N 3.28 2.47 0.00 2.44 0.01 -1.26 -4.95 113.70 115.69 1wi7 s SER 67 Ca 0.05 -0.87 0.30 0.00 1.31 0.00 0.00 55.95 56.73 1wi7 s SER 67 Cb -0.28 -0.13 1.80 0.00 0.21 0.00 0.00 66.02 67.62 1wi7 s SER 67 CO 0.01 -0.09 2.13 0.61 0.41 0.00 0.00 173.24 176.32