#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi7 n SER 2 N 0.00 -1.37 0.02 1.61 7.64 -1.26 -4.99 113.62 115.28 1wi7 n SER 2 Ca 0.00 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.28 1wi7 n SER 2 Cb 0.00 -5.23 0.00 0.00 -1.01 0.00 0.00 64.21 57.97 1wi7 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wi7 n SER 3 N 1.71 -0.44 0.02 6.43 7.64 -1.26 -5.03 113.62 122.69 1wi7 n SER 3 Ca -0.38 0.40 -0.02 0.00 1.01 0.00 0.00 58.87 59.88 1wi7 n SER 3 Cb 0.58 0.72 -0.01 0.00 -1.01 0.00 0.00 64.21 64.50 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 -1.07 -0.13 3.54 0.23 0.00 -1.26 -4.94 105.19 101.56 1wi7 n GLY 4 Ca 0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1wi7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wi7 n SER 5 N -3.55 2.12 -3.96 1.61 2.88 -1.26 -4.89 113.62 106.58 1wi7 n SER 5 Ca -0.03 -0.40 -0.09 0.00 -1.33 0.00 0.00 58.87 57.02 1wi7 n SER 5 Cb 0.10 -1.51 -0.11 0.00 -0.75 0.00 0.00 64.21 61.93 1wi7 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wi7 s SER 6 N 11.69 0.20 0.00 -3.46 0.15 -1.26 -4.76 113.70 116.25 1wi7 s SER 6 Ca 1.03 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1wi7 s SER 6 Cb -0.31 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1wi7 s SER 6 CO 0.29 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1wi7 n GLY 7 N 1.83 3.12 3.35 9.45 0.00 -1.26 -5.14 105.19 116.53 1wi7 n GLY 7 Ca -0.22 -1.10 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 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 -4.72 1.31 0.03 1.61 0.52 0.50 -5.00 118.95 113.20 1wi7 s ARG 8 Ca 0.00 -1.37 0.06 0.00 -0.52 0.00 0.00 55.73 53.90 1wi7 s ARG 8 Cb 0.00 -1.54 -0.02 0.00 0.52 0.00 0.00 34.95 33.91 1wi7 s ARG 8 CO 0.00 0.34 -0.17 1.03 0.02 0.00 0.00 175.30 176.51 1wi7 s ARG 9 N -2.47 1.22 -0.07 3.54 0.52 -1.26 0.18 118.95 120.62 1wi7 s ARG 9 Ca 0.15 -0.78 -0.14 0.00 -0.52 0.00 0.00 55.73 54.44 1wi7 s ARG 9 Cb -0.08 -1.26 0.03 0.00 0.52 0.00 0.00 34.95 34.16 1wi7 s ARG 9 CO 0.07 0.33 0.34 0.00 0.02 0.00 0.00 175.30 176.05 1wi7 s GLN 11 N -0.64 3.30 0.37 0.00 0.74 -1.19 -1.35 119.66 120.89 1wi7 s GLN 11 Ca -0.07 -0.71 -0.27 0.00 0.05 0.00 0.00 55.36 54.36 1wi7 s GLN 11 Cb -0.04 -3.33 -0.11 0.00 1.10 0.00 0.00 33.01 30.63 1wi7 s GLN 11 CO 0.03 -0.34 1.24 0.28 -0.55 0.00 0.00 175.29 175.95 1wi7 n VAL 12 N 4.88 2.23 0.04 1.34 0.31 0.14 -2.96 118.33 124.32 1wi7 n VAL 12 Ca -0.15 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 1wi7 n VAL 12 Cb 0.49 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 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 0.07 2.33 -3.65 3.52 0.00 -0.98 -0.39 120.51 121.42 1wi7 n ALA 13 Ca 0.06 -0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.11 1wi7 n ALA 13 Cb 0.37 -0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.51 -0.79 0.15 0.00 0.40 -1.13 -4.64 117.98 111.45 1wi7 s PHE 14 Ca 0.01 1.49 -0.31 0.00 -0.60 0.00 0.00 56.93 57.52 1wi7 s PHE 14 Cb 0.01 0.29 -0.11 0.00 0.51 0.00 0.00 43.02 43.72 1wi7 s PHE 14 CO 0.02 -0.49 1.75 -1.54 0.70 0.00 0.00 175.22 175.66 1wi7 s SER 15 N 2.61 6.44 -0.17 1.36 1.04 -1.26 -4.23 113.70 119.49 1wi7 s SER 15 Ca -0.01 2.76 -0.00 0.00 0.48 0.00 0.00 55.95 59.17 1wi7 s SER 15 Cb -0.12 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1wi7 s SER 15 CO -0.13 -0.96 -0.15 -0.47 0.98 0.00 0.00 173.24 172.51 1wi7 s TYR 16 N 2.04 2.80 -0.21 5.02 6.14 0.99 -4.87 117.35 129.27 1wi7 s TYR 16 Ca 0.77 -1.19 -0.19 0.00 0.64 0.00 0.00 57.07 57.10 1wi7 s TYR 16 Cb -0.46 -1.93 -0.03 0.00 0.42 0.00 0.00 41.96 39.96 1wi7 s TYR 16 CO 0.34 -0.58 0.57 -0.51 0.64 0.00 0.00 175.55 176.01 1wi7 s LEU 17 N 1.05 4.13 -0.34 6.97 2.01 -1.26 -1.51 118.68 129.72 1wi7 s LEU 17 Ca -0.01 0.71 -0.29 0.00 0.01 0.00 0.00 54.13 54.56 1wi7 s LEU 17 Cb -0.15 -2.78 0.00 0.00 0.01 0.00 0.00 46.19 43.28 1wi7 s LEU 17 CO -0.04 -0.24 1.37 -2.16 1.01 0.00 0.00 176.35 176.29 1wi7 s PRO 18 N 1.89 3.76 0.00 1.29 0.04 -1.26 -4.86 135.00 135.86 1wi7 s PRO 18 Ca 0.25 1.14 0.21 0.00 0.04 0.00 0.00 61.00 62.65 1wi7 s PRO 18 Cb -0.16 -3.95 1.27 0.00 0.04 0.00 0.00 34.50 31.70 1wi7 s PRO 18 CO 0.10 -1.33 1.67 1.04 0.04 0.00 0.00 177.00 178.52 1wi7 n GLN 19 N 7.67 0.72 -3.40 4.56 6.02 -1.26 -4.76 117.38 126.93 1wi7 n GLN 19 Ca 0.16 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 57.00 1wi7 n GLN 19 Cb 0.47 -1.47 -0.04 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 -0.97 1.17 -1.15 1.08 3.02 -1.26 -5.04 115.26 112.11 1wi7 n ASN 20 Ca 0.16 -2.26 0.02 0.00 -0.03 0.00 0.00 54.58 52.46 1wi7 n ASN 20 Cb 0.07 0.58 0.24 0.00 -0.61 0.00 0.00 39.78 40.07 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 -1.73 3.53 -0.14 6.41 -0.08 -1.26 -4.25 116.55 119.03 1wi7 n ASP 21 Ca -0.04 -3.31 0.00 0.00 -1.51 0.00 0.00 54.79 49.93 1wi7 n ASP 21 Cb 0.36 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.21 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 -0.70 0.14 -4.69 1.67 2.03 -1.26 -5.08 116.55 108.65 1wi7 n ASP 22 Ca 0.29 -1.36 -0.27 0.00 0.52 0.00 0.00 54.79 53.96 1wi7 n ASP 22 Cb 1.02 -0.06 -0.07 0.00 -0.72 0.00 0.00 41.12 41.29 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 -0.10 2.53 0.20 -0.67 2.02 -1.26 -4.14 118.70 117.29 1wi7 s GLU 23 Ca 0.01 -1.01 -0.17 0.00 0.02 0.00 0.00 54.97 53.82 1wi7 s GLU 23 Cb 0.01 -2.45 -0.08 0.00 0.10 0.00 0.00 34.13 31.71 1wi7 s GLU 23 CO 0.00 0.48 0.65 -0.51 0.02 0.00 0.00 175.26 175.90 1wi7 s LEU 24 N -2.84 4.31 -0.58 1.80 1.43 -1.25 -4.80 118.68 116.75 1wi7 s LEU 24 Ca 0.28 1.26 -0.16 0.00 -1.03 0.00 0.00 54.13 54.47 1wi7 s LEU 24 Cb -0.10 -3.52 0.13 0.00 0.03 0.00 0.00 46.19 42.74 1wi7 s LEU 24 CO 0.19 0.03 0.56 -0.70 0.23 0.00 0.00 176.35 176.67 1wi7 s GLU 25 N -2.10 3.06 0.53 1.70 2.12 -1.26 -4.36 118.70 118.40 1wi7 s GLU 25 Ca 0.42 -1.73 -0.19 0.00 0.36 0.00 0.00 54.97 53.84 1wi7 s GLU 25 Cb -0.15 -4.31 -0.06 0.00 0.26 0.00 0.00 34.13 29.86 1wi7 s GLU 25 CO 0.20 -1.36 1.08 -0.51 -0.54 0.00 0.00 175.26 174.13 1wi7 s LEU 26 N 1.63 3.73 -0.32 2.70 1.43 -0.57 -4.80 118.68 122.48 1wi7 s LEU 26 Ca 0.06 2.01 0.02 0.00 -1.03 0.00 0.00 54.13 55.19 1wi7 s LEU 26 Cb -0.27 -4.56 0.16 0.00 0.03 0.00 0.00 46.19 41.54 1wi7 s LEU 26 CO 0.02 -1.06 0.40 -0.54 0.23 0.00 0.00 176.35 175.41 1wi7 s LYS 27 N -3.43 0.49 -0.43 1.70 1.02 -1.26 -0.00 119.74 117.83 1wi7 s LYS 27 Ca 0.69 -0.21 -0.14 0.00 0.02 0.00 0.00 55.97 56.33 1wi7 s LYS 27 Cb -0.19 -0.44 -0.10 0.00 -0.52 0.00 0.00 37.83 36.58 1wi7 s LYS 27 CO 0.26 -1.09 1.18 1.55 -0.92 0.00 0.00 175.35 176.33 1wi7 n VAL 28 N 4.98 0.00 0.00 3.17 3.14 -1.26 0.28 118.33 128.64 1wi7 n VAL 28 Ca 0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 1wi7 n VAL 28 Cb 0.48 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 1wi7 n VAL 28 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wi7 n GLY 29 N 2.91 0.53 3.87 7.55 0.00 0.48 -4.89 105.19 115.64 1wi7 n GLY 29 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.44 6.51 -0.22 1.61 1.01 0.14 -4.85 116.67 120.43 1wi7 s ASP 30 Ca 0.00 0.61 -0.07 0.00 0.71 0.00 0.00 52.55 53.80 1wi7 s ASP 30 Cb 0.00 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.78 1wi7 s ASP 30 CO 0.00 0.39 0.06 -0.63 0.21 0.00 0.00 175.17 175.19 1wi7 s ILE 31 N -1.03 4.41 -0.26 0.77 1.09 -1.26 0.26 121.20 125.17 1wi7 s ILE 31 Ca 0.17 -0.15 -0.07 0.00 -1.10 0.00 0.00 60.65 59.50 1wi7 s ILE 31 Cb -0.13 -3.02 -0.01 0.00 -1.06 0.00 0.00 42.46 38.23 1wi7 s ILE 31 CO 0.07 0.39 0.06 -0.63 -0.10 0.00 0.00 174.94 174.73 1wi7 s ILE 32 N 1.10 4.08 -0.95 2.92 1.01 -0.46 -4.70 121.20 124.20 1wi7 s ILE 32 Ca 0.04 -0.37 -0.22 0.00 0.00 0.00 0.00 60.65 60.09 1wi7 s ILE 32 Cb -0.14 -2.96 -0.13 0.00 0.01 0.00 0.00 42.46 39.24 1wi7 s ILE 32 CO 0.03 0.27 1.92 -0.62 0.00 0.00 0.00 174.94 176.54 1wi7 n GLU 33 N 4.89 1.55 -1.23 2.79 1.02 -1.20 -3.02 120.64 125.46 1wi7 n GLU 33 Ca -0.16 -2.13 -0.59 0.00 -0.02 0.00 0.00 57.16 54.26 1wi7 n GLU 33 Cb 0.50 -3.28 -0.12 0.00 -0.02 0.00 0.00 31.44 28.53 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 6.81 0.00 -0.08 2.62 0.31 0.49 -3.74 118.33 124.74 1wi7 n VAL 34 Ca 0.48 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.58 1wi7 n VAL 34 Cb 0.43 -0.49 -0.12 0.00 -0.91 0.00 0.00 33.84 32.75 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 6.33 1.60 -2.02 2.52 0.24 0.16 -0.37 118.33 126.80 1wi7 n VAL 35 Ca 0.54 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 1wi7 n VAL 35 Cb -0.04 -1.80 0.00 0.00 -1.47 0.00 0.00 33.84 30.53 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 1.73 4.08 3.05 7.63 0.00 0.94 -4.73 105.19 117.90 1wi7 n GLY 36 Ca -0.39 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 1.41 0.21 0.00 1.61 -6.30 -1.26 0.17 118.70 114.54 1wi7 s GLU 37 Ca 0.00 0.28 0.00 0.00 -2.50 0.00 0.00 54.97 52.75 1wi7 s GLU 37 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 34.13 34.20 1wi7 s GLU 37 CO 0.00 -0.04 0.00 0.28 0.02 0.00 0.00 175.26 175.52 1wi7 n VAL 38 N 3.13 0.00 -3.96 3.70 0.31 -1.19 -4.77 118.33 115.55 1wi7 n VAL 38 Ca -0.14 0.41 -0.09 0.00 -0.01 0.00 0.00 64.34 64.52 1wi7 n VAL 38 Cb 0.58 -1.32 -0.08 0.00 -0.91 0.00 0.00 33.84 32.11 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 -0.83 0.87 0.26 5.55 -1.05 -1.13 -5.04 118.70 117.33 1wi7 s GLU 39 Ca 0.00 -1.12 -0.25 0.00 -0.15 0.00 0.00 54.97 53.45 1wi7 s GLU 39 Cb 0.00 0.31 -0.16 0.00 -0.44 0.00 0.00 34.13 33.84 1wi7 s GLU 39 CO 0.00 -0.27 0.37 -0.85 0.95 0.00 0.00 175.26 175.47 1wi7 n GLU 40 N -0.06 0.00 -1.40 -4.83 0.28 -1.26 0.10 120.64 113.47 1wi7 n GLU 40 Ca -0.12 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.74 1wi7 n GLU 40 Cb 0.62 -0.97 -0.06 0.00 1.43 0.00 0.00 31.44 32.47 1wi7 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wi7 n GLY 41 N 2.04 1.36 3.29 -1.84 0.00 -1.26 -4.92 105.19 103.86 1wi7 n GLY 41 Ca 0.15 -0.07 -0.11 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 -2.27 -0.60 0.44 1.61 0.52 0.28 -3.44 118.94 115.48 1wi7 s TRP 42 Ca 0.00 1.30 0.03 0.00 0.02 0.00 0.00 56.10 57.45 1wi7 s TRP 42 Cb 0.00 0.26 -0.03 0.00 -1.15 0.00 0.00 33.47 32.55 1wi7 s TRP 42 CO 0.00 -0.33 0.05 -1.58 0.02 0.00 0.00 176.95 175.11 1wi7 s TRP 43 N 1.21 1.95 -0.11 -1.98 0.51 0.11 -2.85 118.94 117.77 1wi7 s TRP 43 Ca -0.08 -1.02 0.01 0.00 -2.12 0.00 0.00 56.10 52.88 1wi7 s TRP 43 Cb -0.07 -1.44 0.02 0.00 -0.81 0.00 0.00 33.47 31.17 1wi7 s TRP 43 CO -0.11 0.05 -0.13 -2.00 -0.51 0.00 0.00 176.95 174.26 1wi7 s GLU 44 N -3.80 1.99 0.00 4.98 2.12 0.13 -1.87 118.70 122.25 1wi7 s GLU 44 Ca 0.20 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.07 1wi7 s GLU 44 Cb 0.04 -1.80 0.00 0.00 0.26 0.00 0.00 34.13 32.63 1wi7 s GLU 44 CO 0.11 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 1wi7 n GLY 45 N 4.47 2.65 3.68 -1.50 0.00 -1.21 0.39 105.19 113.67 1wi7 n GLY 45 Ca -0.17 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.68 2.90 -0.26 1.61 1.01 -1.25 -3.19 120.40 118.55 1wi7 s VAL 46 Ca 0.00 -1.83 -0.01 0.00 0.00 0.00 0.00 61.98 60.14 1wi7 s VAL 46 Cb 0.00 -2.89 0.15 0.00 0.00 0.00 0.00 36.38 33.64 1wi7 s VAL 46 CO 0.00 -0.21 0.41 -0.22 0.00 0.00 0.00 175.10 175.08 1wi7 s LEU 47 N -3.77 -0.76 -1.18 3.92 2.96 0.61 -3.20 118.68 117.25 1wi7 s LEU 47 Ca 0.36 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 1wi7 s LEU 47 Cb -0.02 1.21 0.00 0.00 0.50 0.00 0.00 46.19 47.88 1wi7 s LEU 47 CO 0.21 -0.31 0.00 -0.46 -1.32 0.00 0.00 176.35 174.46 1wi7 n ASN 48 N 5.37 -3.12 0.00 3.68 0.23 -1.26 0.23 115.26 120.38 1wi7 n ASN 48 Ca -0.02 0.27 0.00 0.00 -0.53 0.00 0.00 54.58 54.31 1wi7 n ASN 48 Cb 0.50 -2.93 0.00 0.00 -2.08 0.00 0.00 39.78 35.27 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 -0.30 2.54 3.72 4.83 0.00 -1.26 -5.06 105.19 109.65 1wi7 n GLY 49 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.36 4.55 0.17 1.61 2.20 0.62 -5.03 119.74 123.50 1wi7 s LYS 50 Ca 0.00 1.57 0.08 0.00 -0.36 0.00 0.00 55.97 57.26 1wi7 s LYS 50 Cb 0.00 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1wi7 s LYS 50 CO 0.00 -0.05 -0.07 0.99 -0.36 0.00 0.00 175.35 175.86 1wi7 s THR 51 N 0.69 3.36 -3.00 3.43 2.01 -1.26 0.22 115.64 121.09 1wi7 s THR 51 Ca 0.53 -1.56 0.00 0.00 0.31 0.00 0.00 61.69 60.97 1wi7 s THR 51 Cb -0.25 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.59 1wi7 s THR 51 CO 0.30 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 1wi7 n GLY 52 N 0.05 -1.22 3.35 4.40 0.00 -1.19 -4.73 105.19 105.84 1wi7 n GLY 52 Ca -0.11 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.20 3.44 0.22 1.61 0.23 -1.26 -3.31 119.30 119.02 1wi7 s MET 53 Ca 0.00 -0.60 0.09 0.00 -1.03 0.00 0.00 55.69 54.15 1wi7 s MET 53 Cb 0.00 -3.03 -0.05 0.00 -1.53 0.00 0.00 34.83 30.22 1wi7 s MET 53 CO 0.00 -0.15 -0.17 -0.59 -2.03 0.00 0.00 175.02 172.08 1wi7 s PHE 54 N 1.37 1.89 0.49 3.16 -0.71 -0.78 -3.96 117.98 119.44 1wi7 s PHE 54 Ca 0.04 -0.49 -0.20 0.00 -1.04 0.00 0.00 56.93 55.25 1wi7 s PHE 54 Cb -0.14 -0.87 -0.08 0.00 -1.21 0.00 0.00 43.02 40.71 1wi7 s PHE 54 CO -0.01 0.45 1.04 -1.25 -1.34 0.00 0.00 175.22 174.10 1wi7 s PRO 55 N -3.42 3.78 0.00 1.99 0.04 -1.26 0.08 135.00 136.20 1wi7 s PRO 55 Ca 0.23 1.35 0.23 0.00 0.04 0.00 0.00 61.00 62.85 1wi7 s PRO 55 Cb -0.03 -2.09 0.45 0.00 0.04 0.00 0.00 34.50 32.87 1wi7 s PRO 55 CO 0.09 -0.45 1.42 -1.13 0.04 0.00 0.00 177.00 176.97 1wi7 n SER 56 N -1.02 3.54 -0.02 6.66 3.41 -1.22 -4.10 113.62 120.87 1wi7 n SER 56 Ca 0.09 -2.00 -0.12 0.00 -0.26 0.00 0.00 58.87 56.58 1wi7 n SER 56 Cb 0.53 -0.27 -0.14 0.00 -0.26 0.00 0.00 64.21 64.06 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 1.53 1.19 -1.36 4.04 2.85 -1.26 -3.91 115.26 118.34 1wi7 n ASN 57 Ca 0.20 0.34 -0.04 0.00 -0.11 0.00 0.00 54.58 54.96 1wi7 n ASN 57 Cb 0.62 -0.24 0.13 0.00 1.24 0.00 0.00 39.78 41.52 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 -3.15 1.19 -4.04 1.20 3.72 -1.26 -4.85 117.46 110.27 1wi7 n PHE 58 Ca -0.22 -0.75 -0.03 0.00 -0.05 0.00 0.00 57.45 56.40 1wi7 n PHE 58 Cb 1.05 -0.44 -0.01 0.00 -0.94 0.00 0.00 39.48 39.14 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 0.00 0.00 -3.26 4.37 -6.64 -1.25 -2.32 119.36 110.27 1wi7 n ILE 59 Ca 0.20 -0.42 -0.04 0.00 -1.77 0.00 0.00 62.75 60.72 1wi7 n ILE 59 Cb 0.87 0.21 -0.04 0.00 -1.44 0.00 0.00 39.64 39.24 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 -2.24 0.46 0.97 6.28 -2.85 -1.15 -4.78 119.74 116.42 1wi7 s LYS 60 Ca 0.07 0.46 -0.15 0.00 -1.00 0.00 0.00 55.97 55.35 1wi7 s LYS 60 Cb 0.00 -0.08 -0.05 0.00 -2.06 0.00 0.00 37.83 35.64 1wi7 s LYS 60 CO 0.05 -0.88 -0.15 0.39 0.10 0.00 0.00 175.35 174.86 1wi7 n GLU 61 N 5.38 -0.16 -3.78 1.78 4.71 -1.26 -3.18 120.64 124.13 1wi7 n GLU 61 Ca 0.00 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.16 57.00 1wi7 n GLU 61 Cb 0.51 -1.47 -0.14 0.00 -1.01 0.00 0.00 31.44 29.33 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 3.06 1.11 0.10 -4.62 1.43 -1.14 -4.83 118.68 113.78 1wi7 s LEU 62 Ca 0.49 0.21 -0.26 0.00 -1.03 0.00 0.00 54.13 53.54 1wi7 s LEU 62 Cb -0.20 0.27 0.08 0.00 0.03 0.00 0.00 46.19 46.38 1wi7 s LEU 62 CO 0.74 -0.10 1.08 -0.94 0.23 0.00 0.00 176.35 177.36 1wi7 s SER 63 N 0.76 -0.10 0.45 2.29 1.04 -1.26 -4.64 113.70 112.23 1wi7 s SER 63 Ca -0.06 -0.37 0.08 0.00 0.48 0.00 0.00 55.95 56.08 1wi7 s SER 63 Cb -0.08 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1wi7 s SER 63 CO -0.03 -0.72 0.46 -0.83 0.98 0.00 0.00 173.24 173.10 1wi7 s GLY 64 N -3.07 2.09 0.26 7.32 0.00 -1.26 -5.09 107.32 107.57 1wi7 s GLY 64 Ca 0.15 -1.80 -0.30 0.00 0.00 0.00 0.00 44.72 42.77 1wi7 s GLY 64 CO 0.01 -1.68 1.08 2.56 0.00 0.00 0.00 173.10 175.07 1wi7 s PRO 65 N -4.24 4.66 -0.11 2.90 0.04 -1.26 -4.98 135.00 132.01 1wi7 s PRO 65 Ca 0.49 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 63.25 1wi7 s PRO 65 Cb -0.05 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1wi7 s PRO 65 CO 0.29 0.23 0.12 1.03 0.04 0.00 0.00 177.00 178.71 1wi7 h SER 66 N 4.02 0.00 -5.04 6.66 0.87 -2.08 -3.50 113.55 114.48 1wi7 h SER 66 Ca -0.46 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 59.95 1wi7 h SER 66 Cb 1.21 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.05 1wi7 h SER 66 CO 0.68 0.59 -1.54 -1.20 -0.53 0.00 0.00 176.83 174.82 1wi7 n SER 67 N -4.75 -1.21 0.00 6.23 7.64 -1.26 -5.36 113.62 114.91 1wi7 n SER 67 Ca -0.02 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.22 1wi7 n SER 67 Cb 0.08 -5.25 0.00 0.00 -1.01 0.00 0.00 64.21 58.03 1wi7 n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64