#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 2.26 0.05 1.61 0.15 -1.26 -5.13 113.70 111.38 1wi7 s SER 2 Ca 0.00 -0.39 -0.02 0.00 0.70 0.00 0.00 55.95 56.24 1wi7 s SER 2 Cb 0.00 -1.02 -0.03 0.00 -1.71 0.00 0.00 66.02 63.26 1wi7 s SER 2 CO 0.00 0.03 -0.00 -0.55 1.20 0.00 0.00 173.24 173.92 1wi7 s SER 3 N 0.83 0.39 -0.39 5.45 0.15 -1.26 -5.11 113.70 113.76 1wi7 s SER 3 Ca -0.10 -0.85 -0.02 0.00 0.70 0.00 0.00 55.95 55.68 1wi7 s SER 3 Cb -0.15 0.20 0.22 0.00 -1.71 0.00 0.00 66.02 64.57 1wi7 s SER 3 CO 0.01 -0.55 1.02 0.61 1.20 0.00 0.00 173.24 175.53 1wi7 n GLY 4 N 0.39 -1.29 3.54 9.45 0.00 -1.26 -5.15 105.19 110.87 1wi7 n GLY 4 Ca -0.16 0.94 -0.34 0.00 0.00 0.00 0.00 46.02 46.46 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 0.48 4.86 -0.37 1.61 0.15 -1.26 -5.06 113.70 114.10 1wi7 s SER 5 Ca 0.26 -0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.84 1wi7 s SER 5 Cb 0.12 -1.68 0.14 0.00 -1.71 0.00 0.00 66.02 62.90 1wi7 s SER 5 CO -0.10 0.22 0.22 -0.55 1.20 0.00 0.00 173.24 174.23 1wi7 s SER 6 N 0.06 2.98 0.00 5.45 0.15 -1.26 -5.10 113.70 115.99 1wi7 s SER 6 Ca 0.00 -2.31 0.00 0.00 0.70 0.00 0.00 55.95 54.34 1wi7 s SER 6 Cb -0.13 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1wi7 s SER 6 CO 0.03 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1wi7 n GLY 7 N 3.89 0.78 3.36 9.45 0.00 -1.26 -5.10 105.19 116.30 1wi7 n GLY 7 Ca 0.13 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 3.04 1.87 0.02 1.61 0.52 -0.57 -5.00 118.95 120.43 1wi7 s ARG 8 Ca 0.00 -1.08 0.08 0.00 -0.52 0.00 0.00 55.73 54.22 1wi7 s ARG 8 Cb 0.00 -2.02 -0.03 0.00 0.52 0.00 0.00 34.95 33.42 1wi7 s ARG 8 CO 0.00 0.52 -0.25 1.03 0.02 0.00 0.00 175.30 176.62 1wi7 s ARG 9 N -1.23 1.96 -0.05 3.54 0.52 -1.26 0.13 118.95 122.56 1wi7 s ARG 9 Ca 0.12 -1.02 -0.15 0.00 -0.52 0.00 0.00 55.73 54.16 1wi7 s ARG 9 Cb -0.10 -2.04 0.03 0.00 0.52 0.00 0.00 34.95 33.36 1wi7 s ARG 9 CO 0.02 0.54 0.35 0.00 0.02 0.00 0.00 175.30 176.23 1wi7 s GLN 11 N -0.89 3.44 -0.26 0.00 0.74 -0.51 -1.46 119.66 120.72 1wi7 s GLN 11 Ca -0.10 -0.38 -0.20 0.00 0.05 0.00 0.00 55.36 54.73 1wi7 s GLN 11 Cb -0.04 -3.06 -0.02 0.00 1.10 0.00 0.00 33.01 30.99 1wi7 s GLN 11 CO 0.04 0.63 0.60 0.08 -0.55 0.00 0.00 175.29 176.09 1wi7 s VAL 12 N -1.44 5.00 -0.13 1.34 1.01 0.53 0.16 120.40 126.87 1wi7 s VAL 12 Ca 0.32 1.02 0.19 0.00 0.00 0.00 0.00 61.98 63.50 1wi7 s VAL 12 Cb -0.13 -3.91 -0.20 0.00 0.00 0.00 0.00 36.38 32.14 1wi7 s VAL 12 CO 0.24 0.02 0.60 0.00 0.00 0.00 0.00 175.10 175.96 1wi7 n ALA 13 N 5.69 2.08 -3.82 5.51 0.00 -1.24 -0.81 120.51 127.92 1wi7 n ALA 13 Ca -0.02 -0.69 -0.24 0.00 0.00 0.00 0.00 53.44 52.49 1wi7 n ALA 13 Cb 0.49 -0.75 -0.17 0.00 0.00 0.00 0.00 19.45 19.02 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 -3.00 0.99 0.40 0.00 0.40 -1.22 -4.74 117.98 110.82 1wi7 s PHE 14 Ca -0.05 -0.39 -0.27 0.00 -0.60 0.00 0.00 56.93 55.61 1wi7 s PHE 14 Cb 0.09 -0.97 -0.10 0.00 0.51 0.00 0.00 43.02 42.56 1wi7 s PHE 14 CO 0.84 -0.40 1.40 -1.54 0.70 0.00 0.00 175.22 176.22 1wi7 s SER 15 N 1.83 6.26 -0.07 1.36 1.04 -1.26 -4.61 113.70 118.24 1wi7 s SER 15 Ca 0.04 2.88 -0.01 0.00 0.48 0.00 0.00 55.95 59.34 1wi7 s SER 15 Cb -0.12 -2.65 0.03 0.00 0.10 0.00 0.00 66.02 63.37 1wi7 s SER 15 CO -0.06 -0.91 -0.01 -0.47 0.98 0.00 0.00 173.24 172.77 1wi7 s TYR 16 N -1.18 0.78 -0.14 5.02 6.14 0.19 -4.90 117.35 123.27 1wi7 s TYR 16 Ca 0.55 -0.24 -0.21 0.00 0.64 0.00 0.00 57.07 57.81 1wi7 s TYR 16 Cb -0.43 -0.84 -0.03 0.00 0.42 0.00 0.00 41.96 41.08 1wi7 s TYR 16 CO 0.57 -0.34 0.63 -0.51 0.64 0.00 0.00 175.55 176.54 1wi7 s LEU 17 N 1.85 4.23 -0.31 6.97 2.01 -1.26 -0.89 118.68 131.27 1wi7 s LEU 17 Ca 0.04 0.96 -0.29 0.00 0.01 0.00 0.00 54.13 54.85 1wi7 s LEU 17 Cb -0.12 -2.93 -0.00 0.00 0.01 0.00 0.00 46.19 43.15 1wi7 s LEU 17 CO -0.05 -0.17 1.35 -2.16 1.01 0.00 0.00 176.35 176.33 1wi7 s PRO 18 N 1.31 3.84 0.00 1.29 0.04 -1.26 -4.86 135.00 135.36 1wi7 s PRO 18 Ca 0.31 1.23 0.23 0.00 0.04 0.00 0.00 61.00 62.81 1wi7 s PRO 18 Cb -0.16 -3.92 1.35 0.00 0.04 0.00 0.00 34.50 31.81 1wi7 s PRO 18 CO 0.13 -1.22 1.73 1.04 0.04 0.00 0.00 177.00 178.73 1wi7 n GLN 19 N 7.48 0.74 -3.01 4.56 6.02 -1.26 -4.77 117.38 127.14 1wi7 n GLN 19 Ca 0.15 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.04 1wi7 n GLN 19 Cb 0.47 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.22 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 -0.98 0.77 -1.14 1.08 4.13 -1.26 -5.05 115.26 112.81 1wi7 n ASN 20 Ca 0.17 -1.93 0.02 0.00 1.68 0.00 0.00 54.58 54.52 1wi7 n ASN 20 Cb 0.08 0.50 0.24 0.00 -1.54 0.00 0.00 39.78 39.06 1wi7 n ASN 20 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1wi7 n ASP 21 N -1.97 3.55 -0.07 6.41 5.68 -1.26 -4.25 116.55 124.65 1wi7 n ASP 21 Ca -0.01 -3.30 0.00 0.00 -0.50 0.00 0.00 54.79 50.99 1wi7 n ASP 21 Cb 0.26 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 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 -0.69 0.38 -4.76 -1.12 2.03 -1.26 -5.08 116.55 106.05 1wi7 n ASP 22 Ca 0.28 -1.34 -0.22 0.00 0.52 0.00 0.00 54.79 54.03 1wi7 n ASP 22 Cb 1.02 -0.04 -0.05 0.00 -0.72 0.00 0.00 41.12 41.32 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 -0.24 2.61 0.12 -0.67 2.02 -1.26 -3.94 118.70 117.34 1wi7 s GLU 23 Ca 0.01 -1.28 -0.08 0.00 0.02 0.00 0.00 54.97 53.65 1wi7 s GLU 23 Cb 0.01 -2.36 -0.06 0.00 0.10 0.00 0.00 34.13 31.82 1wi7 s GLU 23 CO 0.00 0.30 0.40 -0.51 0.02 0.00 0.00 175.26 175.48 1wi7 s LEU 24 N -3.81 4.29 -0.58 1.80 1.43 -1.25 -4.83 118.68 115.73 1wi7 s LEU 24 Ca 0.34 0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 54.00 1wi7 s LEU 24 Cb -0.06 -3.19 0.14 0.00 0.03 0.00 0.00 46.19 43.11 1wi7 s LEU 24 CO 0.23 0.10 0.53 -0.70 0.23 0.00 0.00 176.35 176.74 1wi7 s GLU 25 N -2.32 3.04 0.19 1.70 2.12 -1.26 -4.21 118.70 117.96 1wi7 s GLU 25 Ca 0.38 -1.83 -0.30 0.00 0.36 0.00 0.00 54.97 53.58 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 0.21 -1.31 1.16 -0.51 -0.54 0.00 0.00 175.26 174.27 1wi7 s LEU 26 N 1.36 4.47 -0.08 2.70 1.43 -0.07 -4.82 118.68 123.67 1wi7 s LEU 26 Ca 0.05 2.20 -0.02 0.00 -1.03 0.00 0.00 54.13 55.33 1wi7 s LEU 26 Cb -0.27 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.38 1wi7 s LEU 26 CO 0.01 -0.32 0.05 -0.54 0.23 0.00 0.00 176.35 175.78 1wi7 s LYS 27 N -0.37 0.20 -0.61 1.70 1.02 -1.26 0.57 119.74 120.99 1wi7 s LYS 27 Ca 0.51 0.16 -0.30 0.00 0.02 0.00 0.00 55.97 56.37 1wi7 s LYS 27 Cb -0.32 -0.99 -0.16 0.00 -0.52 0.00 0.00 37.83 35.84 1wi7 s LYS 27 CO 0.37 -0.40 1.94 0.28 -0.92 0.00 0.00 175.35 176.61 1wi7 n VAL 28 N 5.23 0.00 0.00 3.17 0.31 -1.26 0.25 118.33 126.04 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 -0.40 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 5.57 2.15 3.65 2.92 0.00 0.01 -5.00 105.19 114.48 1wi7 n GLY 29 Ca 0.48 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 1.89 -4.12 1.61 9.92 0.69 -4.53 116.55 122.01 1wi7 n ASP 30 Ca 0.00 1.12 -0.33 0.00 -0.53 0.00 0.00 54.79 55.05 1wi7 n ASP 30 Cb 0.00 -1.40 -0.16 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 -1.17 2.19 -0.09 0.53 1.01 -1.26 -0.34 121.20 122.06 1wi7 s ILE 31 Ca 0.60 -1.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 1wi7 s ILE 31 Cb -0.58 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1wi7 s ILE 31 CO 0.59 0.35 0.25 -0.63 0.00 0.00 0.00 174.94 175.50 1wi7 s ILE 32 N 1.25 5.32 -1.19 2.92 1.01 -0.53 -4.69 121.20 125.28 1wi7 s ILE 32 Ca 0.01 0.46 -0.11 0.00 0.00 0.00 0.00 60.65 61.00 1wi7 s ILE 32 Cb -0.15 -3.54 0.20 0.00 0.01 0.00 0.00 42.46 38.98 1wi7 s ILE 32 CO -0.10 0.56 1.42 -0.62 0.00 0.00 0.00 174.94 176.20 1wi7 n GLU 33 N 2.28 3.50 -1.26 2.79 1.02 -1.15 -2.04 120.64 125.78 1wi7 n GLU 33 Ca -0.17 -4.00 -0.59 0.00 -0.02 0.00 0.00 57.16 52.39 1wi7 n GLU 33 Cb 0.53 -2.88 -0.12 0.00 -0.02 0.00 0.00 31.44 28.95 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 3.80 0.00 0.03 2.62 0.31 0.34 -3.56 118.33 121.88 1wi7 n VAL 34 Ca 0.34 -0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.44 1wi7 n VAL 34 Cb 0.40 -0.50 -0.14 0.00 -0.91 0.00 0.00 33.84 32.69 1wi7 n VAL 34 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1wi7 h VAL 35 N 7.04 0.74 -1.17 2.52 -1.51 0.18 -1.52 116.25 122.54 1wi7 h VAL 35 Ca -0.10 -2.40 0.00 0.00 -1.23 0.00 0.00 66.70 62.97 1wi7 h VAL 35 Cb 1.41 2.60 0.00 0.00 -2.13 0.00 0.00 31.29 33.18 1wi7 h VAL 35 CO 1.10 0.89 0.00 0.61 -1.23 0.00 0.00 177.57 178.94 1wi7 n GLY 36 N 1.95 3.70 2.82 5.19 0.00 -0.28 -4.90 105.19 113.67 1wi7 n GLY 36 Ca -0.29 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 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 0.50 1.02 0.07 1.61 2.12 -1.26 -2.16 118.70 120.59 1wi7 s GLU 37 Ca 0.00 -0.96 -0.36 0.00 0.36 0.00 0.00 54.97 54.01 1wi7 s GLU 37 Cb 0.00 -2.29 -0.19 0.00 0.26 0.00 0.00 34.13 31.91 1wi7 s GLU 37 CO 0.00 -0.79 1.58 -0.39 -0.54 0.00 0.00 175.26 175.12 1wi7 h VAL 38 N 6.56 0.10 -1.97 3.70 -1.51 -1.76 -3.46 116.25 117.90 1wi7 h VAL 38 Ca -0.15 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.35 1wi7 h VAL 38 Cb 1.06 0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 30.31 1wi7 h VAL 38 CO 0.43 0.00 0.14 -1.84 -1.23 0.00 0.00 177.57 175.07 1wi7 n GLU 39 N -5.60 0.22 -2.21 5.19 0.28 -1.20 -4.99 120.64 112.33 1wi7 n GLU 39 Ca -0.15 -0.48 -0.42 0.00 -0.16 0.00 0.00 57.16 55.95 1wi7 n GLU 39 Cb 0.47 0.63 -0.03 0.00 1.43 0.00 0.00 31.44 33.95 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 4.25 0.00 3.44 2.12 -1.26 -1.83 118.70 123.40 1wi7 s GLU 40 Ca 0.06 1.96 0.00 0.00 0.36 0.00 0.00 54.97 57.35 1wi7 s GLU 40 Cb -0.01 -3.71 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1wi7 s GLU 40 CO 0.02 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.48 1wi7 n GLY 41 N 3.76 1.01 3.14 -1.50 0.00 -1.26 -5.01 105.19 105.32 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 -2.75 0.79 0.25 1.61 0.52 -0.76 -1.34 118.94 117.26 1wi7 s TRP 42 Ca 0.00 -1.15 -0.03 0.00 0.02 0.00 0.00 56.10 54.95 1wi7 s TRP 42 Cb 0.00 -0.48 0.01 0.00 -1.15 0.00 0.00 33.47 31.86 1wi7 s TRP 42 CO 0.00 -0.43 0.37 0.91 0.02 0.00 0.00 176.95 177.82 1wi7 n TRP 43 N -0.04 -1.26 -3.79 -1.98 8.01 0.86 -3.26 117.44 115.98 1wi7 n TRP 43 Ca -0.09 -1.56 -0.23 0.00 -1.31 0.00 0.00 57.50 54.31 1wi7 n TRP 43 Cb 0.63 0.42 -0.17 0.00 -2.01 0.00 0.00 31.31 30.17 1wi7 n TRP 43 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 1wi7 s GLU 44 N -2.47 0.69 0.04 -0.99 2.12 -0.92 -2.02 118.70 115.15 1wi7 s GLU 44 Ca 0.19 0.07 -0.00 0.00 0.36 0.00 0.00 54.97 55.58 1wi7 s GLU 44 Cb -0.01 -1.02 0.00 0.00 0.26 0.00 0.00 34.13 33.36 1wi7 s GLU 44 CO 0.13 -0.29 0.06 0.41 -0.54 0.00 0.00 175.26 175.03 1wi7 n GLY 45 N 5.09 2.90 3.73 -1.50 0.00 -1.15 0.19 105.19 114.45 1wi7 n GLY 45 Ca -0.08 -1.37 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.52 3.29 -0.21 1.61 1.01 -1.23 -2.95 120.40 119.40 1wi7 s VAL 46 Ca 0.03 -1.70 -0.04 0.00 0.00 0.00 0.00 61.98 60.28 1wi7 s VAL 46 Cb -0.00 -3.00 0.10 0.00 0.00 0.00 0.00 36.38 33.48 1wi7 s VAL 46 CO 0.02 -0.24 0.28 -0.22 0.00 0.00 0.00 175.10 174.94 1wi7 s LEU 47 N -3.81 -0.30 -0.87 3.92 2.96 0.26 -2.96 118.68 117.87 1wi7 s LEU 47 Ca 0.36 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1wi7 s LEU 47 Cb -0.04 0.66 0.00 0.00 0.50 0.00 0.00 46.19 47.31 1wi7 s LEU 47 CO 0.22 -0.31 0.00 -0.46 -1.32 0.00 0.00 176.35 174.49 1wi7 n ASN 48 N 5.34 -2.58 0.00 3.68 0.23 -1.26 0.21 115.26 120.88 1wi7 n ASN 48 Ca -0.05 0.24 0.00 0.00 -0.53 0.00 0.00 54.58 54.24 1wi7 n ASN 48 Cb 0.50 -2.45 0.00 0.00 -2.08 0.00 0.00 39.78 35.75 1wi7 n ASN 48 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wi7 n GLY 49 N -0.35 1.94 3.57 4.83 0.00 -1.26 -5.08 105.19 108.85 1wi7 n GLY 49 Ca -0.09 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.60 0.12 1.61 2.20 0.56 -4.99 119.74 118.64 1wi7 s LYS 50 Ca 0.00 0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 56.04 1wi7 s LYS 50 Cb 0.00 -1.62 -0.04 0.00 -1.51 0.00 0.00 37.83 34.66 1wi7 s LYS 50 CO 0.00 -3.41 0.06 0.99 -0.36 0.00 0.00 175.35 172.63 1wi7 s THR 51 N -2.77 0.12 0.00 3.43 2.01 -1.26 0.89 115.64 118.05 1wi7 s THR 51 Ca 0.68 -1.87 0.00 0.00 0.31 0.00 0.00 61.69 60.80 1wi7 s THR 51 Cb -0.19 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.36 1wi7 s THR 51 CO 0.59 -0.53 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 1wi7 n GLY 52 N -0.07 0.97 3.65 4.40 0.00 -1.15 -4.60 105.19 108.38 1wi7 n GLY 52 Ca -0.07 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.87 4.03 0.24 1.61 0.23 -1.25 -2.92 119.30 119.37 1wi7 s MET 53 Ca 0.00 -0.30 0.10 0.00 -1.03 0.00 0.00 55.69 54.47 1wi7 s MET 53 Cb 0.00 -3.41 -0.05 0.00 -1.53 0.00 0.00 34.83 29.85 1wi7 s MET 53 CO 0.00 0.15 -0.19 -0.59 -2.03 0.00 0.00 175.02 172.36 1wi7 s PHE 54 N 0.77 2.09 0.04 3.16 -0.71 -0.86 -3.90 117.98 118.58 1wi7 s PHE 54 Ca 0.06 -0.41 -0.30 0.00 -1.04 0.00 0.00 56.93 55.24 1wi7 s PHE 54 Cb -0.13 -0.95 -0.05 0.00 -1.21 0.00 0.00 43.02 40.69 1wi7 s PHE 54 CO 0.02 0.57 1.17 -1.25 -1.34 0.00 0.00 175.22 174.39 1wi7 s PRO 55 N -3.40 4.44 0.00 1.99 0.04 -1.26 -0.10 135.00 136.72 1wi7 s PRO 55 Ca 0.26 1.72 0.08 0.00 0.04 0.00 0.00 61.00 63.10 1wi7 s PRO 55 Cb -0.04 -3.38 0.34 0.00 0.04 0.00 0.00 34.50 31.45 1wi7 s PRO 55 CO 0.12 -0.25 1.24 -1.13 0.04 0.00 0.00 177.00 177.02 1wi7 n SER 56 N 4.05 0.81 -1.46 6.66 3.41 -0.45 -3.23 113.62 123.41 1wi7 n SER 56 Ca 0.09 -1.89 -0.00 0.00 -0.26 0.00 0.00 58.87 56.81 1wi7 n SER 56 Cb 0.47 -0.09 0.27 0.00 -0.26 0.00 0.00 64.21 64.60 1wi7 n SER 56 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wi7 n ASN 57 N -0.10 4.10 -2.07 4.04 2.85 -1.26 -4.34 115.26 118.48 1wi7 n ASN 57 Ca 0.08 -3.25 -0.02 0.00 -0.11 0.00 0.00 54.58 51.28 1wi7 n ASN 57 Cb 0.14 -0.66 0.04 0.00 1.24 0.00 0.00 39.78 40.55 1wi7 n ASN 57 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1wi7 n PHE 58 N -0.44 -0.36 -4.03 1.20 3.72 -1.20 -5.10 117.46 111.26 1wi7 n PHE 58 Ca 0.33 -1.28 -0.04 0.00 -0.05 0.00 0.00 57.45 56.40 1wi7 n PHE 58 Cb 1.15 0.54 -0.02 0.00 -0.94 0.00 0.00 39.48 40.22 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 -0.54 0.00 -3.39 4.37 -6.64 -1.26 -3.37 119.36 108.52 1wi7 n ILE 59 Ca -0.10 -0.50 -0.13 0.00 -1.77 0.00 0.00 62.75 60.24 1wi7 n ILE 59 Cb 0.87 0.26 -0.09 0.00 -1.44 0.00 0.00 39.64 39.23 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 -2.28 0.32 1.08 6.28 -2.85 0.12 -4.71 119.74 117.71 1wi7 s LYS 60 Ca 0.08 0.18 -0.19 0.00 -1.00 0.00 0.00 55.97 55.05 1wi7 s LYS 60 Cb 0.00 -0.66 0.07 0.00 -2.06 0.00 0.00 37.83 35.19 1wi7 s LYS 60 CO 0.06 -0.83 -0.18 -0.85 0.10 0.00 0.00 175.35 173.65 1wi7 n GLU 61 N 5.34 -1.53 -3.84 1.78 0.28 -1.26 -1.43 120.64 119.98 1wi7 n GLU 61 Ca -0.03 -0.44 -0.12 0.00 -0.16 0.00 0.00 57.16 56.41 1wi7 n GLU 61 Cb 0.49 -1.54 -0.13 0.00 1.43 0.00 0.00 31.44 31.69 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 0.45 1.56 -0.32 -1.84 1.43 -1.23 -4.64 118.68 114.09 1wi7 s LEU 62 Ca 0.49 0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.76 1wi7 s LEU 62 Cb -0.07 0.42 0.06 0.00 0.03 0.00 0.00 46.19 46.63 1wi7 s LEU 62 CO 0.59 -0.07 0.03 -0.44 0.23 0.00 0.00 176.35 176.69 1wi7 s SER 63 N -0.08 4.94 0.97 2.29 0.01 -1.26 -4.86 113.70 115.70 1wi7 s SER 63 Ca -0.01 -1.43 -0.12 0.00 1.31 0.00 0.00 55.95 55.70 1wi7 s SER 63 Cb -0.02 -1.72 0.18 0.00 0.21 0.00 0.00 66.02 64.67 1wi7 s SER 63 CO 0.00 -0.31 0.41 0.61 0.41 0.00 0.00 173.24 174.36 1wi7 n GLY 64 N 4.60 -2.07 0.09 3.44 0.00 -1.26 -4.94 105.19 105.05 1wi7 n GLY 64 Ca -0.11 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 1wi7 n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi7 h PRO 65 N 0.00 -0.09 0.00 1.61 0.13 -2.09 -3.47 132.00 128.09 1wi7 h PRO 65 Ca -0.19 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1wi7 h PRO 65 Cb 0.63 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1wi7 h PRO 65 CO 0.11 0.48 0.00 0.45 -0.23 0.00 0.00 178.00 178.82 1wi7 n SER 66 N -4.81 -2.39 -2.45 1.44 2.88 -1.26 -5.13 113.62 101.91 1wi7 n SER 66 Ca -0.08 0.62 -0.04 0.00 -1.33 0.00 0.00 58.87 58.04 1wi7 n SER 66 Cb 0.30 2.34 -0.03 0.00 -0.75 0.00 0.00 64.21 66.07 1wi7 n SER 66 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wi7 n SER 67 N -3.26 -1.70 0.00 -3.46 7.64 -1.26 -5.25 113.62 106.33 1wi7 n SER 67 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1wi7 n SER 67 Cb 0.00 -4.66 0.00 0.00 -1.01 0.00 0.00 64.21 58.54 1wi7 n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64