#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 -0.08 0.01 1.61 0.15 -1.26 -5.05 113.70 109.09 1wi7 s SER 2 Ca 0.00 0.09 -0.00 0.00 0.70 0.00 0.00 55.95 56.74 1wi7 s SER 2 Cb 0.00 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1wi7 s SER 2 CO 0.00 -0.18 0.01 -1.20 1.20 0.00 0.00 173.24 173.07 1wi7 n SER 3 N 2.37 -8.37 -4.03 5.45 7.64 -1.26 -4.84 113.62 110.58 1wi7 n SER 3 Ca -0.17 1.78 -0.43 0.00 1.01 0.00 0.00 58.87 61.06 1wi7 n SER 3 Cb 0.58 -4.88 0.01 0.00 -1.01 0.00 0.00 64.21 58.90 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 1.87 4.99 3.08 0.23 0.00 -1.26 -4.81 105.19 109.29 1wi7 n GLY 4 Ca -0.02 -2.57 -0.11 0.00 0.00 0.00 0.00 46.02 43.32 1wi7 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wi7 n SER 5 N 1.88 -6.98 -4.09 1.61 3.41 -1.26 -4.94 113.62 103.25 1wi7 n SER 5 Ca 0.28 0.57 -0.35 0.00 -0.26 0.00 0.00 58.87 59.10 1wi7 n SER 5 Cb 0.34 -3.34 -0.12 0.00 -0.26 0.00 0.00 64.21 60.84 1wi7 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wi7 s SER 6 N -1.60 5.12 -0.07 4.04 1.04 -1.26 -4.77 113.70 116.20 1wi7 s SER 6 Ca 0.14 -2.20 -0.01 0.00 0.48 0.00 0.00 55.95 54.36 1wi7 s SER 6 Cb -0.02 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1wi7 s SER 6 CO 0.57 -0.48 0.02 0.61 0.98 0.00 0.00 173.24 174.94 1wi7 n GLY 7 N 4.32 -3.33 3.27 7.32 0.00 -1.26 -5.09 105.19 110.43 1wi7 n GLY 7 Ca 0.01 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.59 1.10 0.02 1.61 1.81 -0.48 -5.01 118.95 117.41 1wi7 s ARG 8 Ca -0.03 -1.19 0.05 0.00 -1.72 0.00 0.00 55.73 52.84 1wi7 s ARG 8 Cb 0.00 -1.24 -0.02 0.00 -0.45 0.00 0.00 34.95 33.24 1wi7 s ARG 8 CO 0.20 0.27 -0.16 1.03 -0.68 0.00 0.00 175.30 175.97 1wi7 s ARG 9 N -2.16 1.13 -0.03 3.54 0.52 -1.26 0.45 118.95 121.14 1wi7 s ARG 9 Ca 0.07 -0.72 -0.14 0.00 -0.52 0.00 0.00 55.73 54.42 1wi7 s ARG 9 Cb -0.08 -1.15 0.02 0.00 0.52 0.00 0.00 34.95 34.26 1wi7 s ARG 9 CO 0.04 0.30 0.30 0.00 0.02 0.00 0.00 175.30 175.96 1wi7 s GLN 11 N -1.08 3.45 -0.08 0.00 0.74 -0.25 -2.32 119.66 120.11 1wi7 s GLN 11 Ca -0.11 -0.46 -0.14 0.00 0.05 0.00 0.00 55.36 54.70 1wi7 s GLN 11 Cb -0.05 -3.02 -0.05 0.00 1.10 0.00 0.00 33.01 30.99 1wi7 s GLN 11 CO 0.03 0.59 0.34 0.08 -0.55 0.00 0.00 175.29 175.78 1wi7 s VAL 12 N -1.55 5.21 -0.04 1.34 1.01 -0.74 0.14 120.40 125.76 1wi7 s VAL 12 Ca 0.35 0.66 0.13 0.00 0.00 0.00 0.00 61.98 63.12 1wi7 s VAL 12 Cb -0.13 -3.65 -0.20 0.00 0.00 0.00 0.00 36.38 32.41 1wi7 s VAL 12 CO 0.28 0.50 0.24 0.00 0.00 0.00 0.00 175.10 176.12 1wi7 n ALA 13 N 2.56 2.33 -3.64 5.51 0.00 -1.21 -2.30 120.51 123.76 1wi7 n ALA 13 Ca -0.14 -0.42 -0.20 0.00 0.00 0.00 0.00 53.44 52.68 1wi7 n ALA 13 Cb 0.53 -0.36 -0.16 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.79 0.77 0.17 0.00 0.40 -1.24 -4.86 117.98 110.42 1wi7 s PHE 14 Ca -0.05 -0.22 -0.32 0.00 -0.60 0.00 0.00 56.93 55.74 1wi7 s PHE 14 Cb 0.08 -0.69 -0.10 0.00 0.51 0.00 0.00 43.02 42.81 1wi7 s PHE 14 CO 0.54 -0.21 1.58 -1.12 0.70 0.00 0.00 175.22 176.71 1wi7 s SER 15 N 1.03 6.57 -0.13 1.36 0.01 -1.26 -4.67 113.70 116.60 1wi7 s SER 15 Ca -0.09 2.64 0.02 0.00 1.31 0.00 0.00 55.95 59.83 1wi7 s SER 15 Cb -0.14 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.51 1wi7 s SER 15 CO -0.01 -0.83 -0.19 -0.47 0.41 0.00 0.00 173.24 172.15 1wi7 s TYR 16 N 1.10 2.44 -0.19 2.43 6.14 -0.77 -4.95 117.35 123.55 1wi7 s TYR 16 Ca 0.70 -1.24 -0.10 0.00 0.64 0.00 0.00 57.07 57.07 1wi7 s TYR 16 Cb -0.44 -1.69 -0.05 0.00 0.42 0.00 0.00 41.96 40.19 1wi7 s TYR 16 CO 0.32 -0.59 0.14 -0.51 0.64 0.00 0.00 175.55 175.55 1wi7 s LEU 17 N 0.95 4.23 -0.32 6.97 2.01 -1.26 -0.69 118.68 130.56 1wi7 s LEU 17 Ca -0.05 0.27 -0.29 0.00 0.01 0.00 0.00 54.13 54.07 1wi7 s LEU 17 Cb -0.15 -2.11 0.00 0.00 0.01 0.00 0.00 46.19 43.94 1wi7 s LEU 17 CO -0.03 0.19 1.36 -2.16 1.01 0.00 0.00 176.35 176.72 1wi7 s PRO 18 N 0.24 3.83 0.00 1.29 0.04 -1.26 -4.86 135.00 134.28 1wi7 s PRO 18 Ca 0.09 1.22 0.09 0.00 0.04 0.00 0.00 61.00 62.44 1wi7 s PRO 18 Cb -0.11 -3.93 0.50 0.00 0.04 0.00 0.00 34.50 31.00 1wi7 s PRO 18 CO -0.01 -1.24 1.32 1.04 0.04 0.00 0.00 177.00 178.15 1wi7 n GLN 19 N 7.52 1.02 -4.34 4.56 6.02 -1.26 -4.80 117.38 126.10 1wi7 n GLN 19 Ca 0.16 -0.03 -0.20 0.00 -0.01 0.00 0.00 57.00 56.91 1wi7 n GLN 19 Cb 0.47 -1.14 -0.08 0.00 1.02 0.00 0.00 30.24 30.51 1wi7 n GLN 19 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1wi7 s ASN 20 N -1.26 1.84 -0.42 1.08 -0.87 -1.26 -5.04 114.94 109.00 1wi7 s ASN 20 Ca 0.13 -1.70 0.05 0.00 -1.57 0.00 0.00 52.86 49.76 1wi7 s ASN 20 Cb 0.06 0.53 0.60 0.00 -0.02 0.00 0.00 41.25 42.42 1wi7 s ASN 20 CO 0.10 -1.01 1.79 -0.67 -2.57 0.00 0.00 177.10 174.74 1wi7 n ASP 21 N -1.37 3.77 -0.56 -1.22 -0.08 -1.26 -4.08 116.55 111.76 1wi7 n ASP 21 Ca 0.03 -3.68 -0.00 0.00 -1.51 0.00 0.00 54.79 49.63 1wi7 n ASP 21 Cb 0.63 -0.79 -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 -1.11 0.00 -4.80 1.67 2.03 -1.26 -5.12 116.55 107.96 1wi7 n ASP 22 Ca 0.53 -1.56 -0.26 0.00 0.52 0.00 0.00 54.79 54.02 1wi7 n ASP 22 Cb 1.40 -0.10 -0.05 0.00 -0.72 0.00 0.00 41.12 41.65 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 2.24 0.05 -0.67 2.02 -1.26 -4.00 118.70 117.09 1wi7 s GLU 23 Ca 0.01 -1.98 0.03 0.00 0.02 0.00 0.00 54.97 53.05 1wi7 s GLU 23 Cb 0.02 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 1wi7 s GLU 23 CO -0.01 -0.32 0.04 -0.51 0.02 0.00 0.00 175.26 174.48 1wi7 s LEU 24 N -4.03 3.64 -0.51 1.80 1.43 -1.26 -4.72 118.68 115.04 1wi7 s LEU 24 Ca 0.33 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 1wi7 s LEU 24 Cb 0.01 -2.25 0.13 0.00 0.03 0.00 0.00 46.19 44.11 1wi7 s LEU 24 CO 0.19 0.22 0.40 -0.70 0.23 0.00 0.00 176.35 176.69 1wi7 s GLU 25 N -2.04 2.64 0.39 1.70 2.12 -1.26 -4.00 118.70 118.26 1wi7 s GLU 25 Ca 0.25 -1.80 -0.24 0.00 0.36 0.00 0.00 54.97 53.54 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 0.17 -1.23 1.06 -0.51 -0.54 0.00 0.00 175.26 174.20 1wi7 s LEU 26 N 1.34 4.16 -0.07 2.70 1.43 0.13 -4.89 118.68 123.48 1wi7 s LEU 26 Ca 0.06 2.07 -0.01 0.00 -1.03 0.00 0.00 54.13 55.22 1wi7 s LEU 26 Cb -0.26 -4.15 0.03 0.00 0.03 0.00 0.00 46.19 41.83 1wi7 s LEU 26 CO -0.00 -0.50 0.01 -0.54 0.23 0.00 0.00 176.35 175.55 1wi7 s LYS 27 N -2.44 0.52 -0.74 1.70 1.02 -1.26 -1.85 119.74 116.69 1wi7 s LYS 27 Ca 0.57 0.14 -0.28 0.00 0.02 0.00 0.00 55.97 56.42 1wi7 s LYS 27 Cb -0.23 -0.92 -0.18 0.00 -0.52 0.00 0.00 37.83 35.98 1wi7 s LYS 27 CO 0.29 -0.31 2.14 0.28 -0.92 0.00 0.00 175.35 176.83 1wi7 n VAL 28 N 5.17 0.00 0.00 3.17 0.31 -1.26 0.12 118.33 125.84 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 0.50 -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 5.55 1.60 3.89 2.92 0.00 -0.97 -5.02 105.19 113.16 1wi7 n GLY 29 Ca 0.53 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 1wi7 n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wi7 s ASP 30 N -2.00 6.52 -0.50 1.61 2.15 0.33 -4.86 116.67 119.92 1wi7 s ASP 30 Ca 0.00 0.83 0.03 0.00 0.43 0.00 0.00 52.55 53.85 1wi7 s ASP 30 Cb 0.00 -2.19 0.14 0.00 -0.30 0.00 0.00 42.92 40.57 1wi7 s ASP 30 CO 0.00 -0.18 0.28 -0.63 -0.17 0.00 0.00 175.17 174.47 1wi7 s ILE 31 N -2.03 1.92 0.24 4.11 1.01 -1.26 -1.80 121.20 123.40 1wi7 s ILE 31 Ca 0.46 -3.02 -0.29 0.00 0.00 0.00 0.00 60.65 57.80 1wi7 s ILE 31 Cb -0.11 -2.33 -0.09 0.00 0.01 0.00 0.00 42.46 39.94 1wi7 s ILE 31 CO 0.27 -0.89 0.93 -0.63 0.00 0.00 0.00 174.94 174.61 1wi7 s ILE 32 N -0.09 4.11 -1.20 2.92 1.01 -0.98 -4.79 121.20 122.19 1wi7 s ILE 32 Ca 0.19 2.02 -0.09 0.00 0.00 0.00 0.00 60.65 62.78 1wi7 s ILE 32 Cb -0.21 -4.27 0.22 0.00 0.01 0.00 0.00 42.46 38.20 1wi7 s ILE 32 CO -0.03 0.46 1.60 -0.62 0.00 0.00 0.00 174.94 176.35 1wi7 n GLU 33 N 1.39 3.79 -1.58 2.79 1.02 0.04 -2.43 120.64 125.66 1wi7 n GLU 33 Ca -0.02 -3.97 -0.65 0.00 -0.02 0.00 0.00 57.16 52.50 1wi7 n GLU 33 Cb 0.48 -2.80 -0.10 0.00 -0.02 0.00 0.00 31.44 28.99 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 2.99 0.00 -0.14 2.62 0.31 0.17 -3.19 118.33 121.09 1wi7 n VAL 34 Ca 0.34 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.40 1wi7 n VAL 34 Cb 0.37 -0.49 -0.10 0.00 -0.91 0.00 0.00 33.84 32.70 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 4.68 1.50 -1.80 2.52 0.24 -0.00 -1.38 118.33 124.08 1wi7 n VAL 35 Ca 0.38 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1wi7 n VAL 35 Cb -0.05 -1.76 0.00 0.00 -1.47 0.00 0.00 33.84 30.55 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 1.52 4.79 3.02 7.63 0.00 0.45 -4.67 105.19 117.92 1wi7 n GLY 36 Ca -0.52 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 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 1.90 0.17 0.00 1.61 -6.30 -1.26 -1.69 118.70 113.13 1wi7 s GLU 37 Ca 0.00 0.31 0.00 0.00 -2.50 0.00 0.00 54.97 52.78 1wi7 s GLU 37 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 34.13 34.13 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 3.46 0.00 -4.06 3.70 0.31 -0.79 -4.71 118.33 116.24 1wi7 n VAL 38 Ca -0.18 0.48 -0.11 0.00 -0.01 0.00 0.00 64.34 64.52 1wi7 n VAL 38 Cb 0.56 -1.44 -0.06 0.00 -0.91 0.00 0.00 33.84 31.99 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 -0.96 1.60 -0.29 5.55 -1.05 -0.14 -5.00 118.70 118.40 1wi7 s GLU 39 Ca 0.00 -1.48 -0.36 0.00 -0.15 0.00 0.00 54.97 52.99 1wi7 s GLU 39 Cb 0.00 0.43 -0.12 0.00 -0.44 0.00 0.00 34.13 34.00 1wi7 s GLU 39 CO 0.00 -0.64 2.07 -1.91 0.95 0.00 0.00 175.26 175.73 1wi7 n GLU 40 N -0.42 1.29 0.00 -4.83 2.13 -1.26 0.20 120.64 117.75 1wi7 n GLU 40 Ca -0.00 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1wi7 n GLU 40 Cb 0.63 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.87 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 5.81 1.45 3.16 8.31 0.00 -1.26 -5.02 105.19 117.65 1wi7 n GLY 41 Ca 0.36 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.32 2.44 0.33 1.61 0.52 0.52 -1.10 118.94 120.95 1wi7 s TRP 42 Ca 0.00 -1.11 0.10 0.00 0.02 0.00 0.00 56.10 55.11 1wi7 s TRP 42 Cb 0.00 -1.66 -0.06 0.00 -1.15 0.00 0.00 33.47 30.59 1wi7 s TRP 42 CO 0.00 -0.49 -0.11 -1.58 0.02 0.00 0.00 176.95 174.79 1wi7 s TRP 43 N 0.63 2.39 -0.08 -1.98 0.51 0.14 -0.97 118.94 119.59 1wi7 s TRP 43 Ca -0.12 -0.46 0.04 0.00 -2.12 0.00 0.00 56.10 53.44 1wi7 s TRP 43 Cb -0.16 -1.31 -0.00 0.00 -0.81 0.00 0.00 33.47 31.19 1wi7 s TRP 43 CO 0.03 0.61 -0.22 -2.00 -0.51 0.00 0.00 176.95 174.85 1wi7 s GLU 44 N -3.60 2.65 0.00 4.98 2.12 -0.68 -0.98 118.70 123.20 1wi7 s GLU 44 Ca 0.32 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.84 1wi7 s GLU 44 Cb 0.01 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.30 1wi7 s GLU 44 CO 0.16 0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.51 1wi7 n GLY 45 N 3.38 1.73 3.64 -1.50 0.00 -1.24 -0.41 105.19 110.78 1wi7 n GLY 45 Ca -0.19 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.77 2.82 0.00 1.61 1.01 -1.19 -3.15 120.40 118.73 1wi7 s VAL 46 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.05 1wi7 s VAL 46 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1wi7 s VAL 46 CO 0.00 -0.23 0.00 -0.11 0.00 0.00 0.00 175.10 174.76 1wi7 n LEU 47 N -0.96 0.00 -2.42 3.92 7.94 -1.26 -0.78 117.00 123.45 1wi7 n LEU 47 Ca -0.04 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.67 1wi7 n LEU 47 Cb 0.61 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.59 1wi7 n LEU 47 CO 0.42 -0.16 0.10 -3.20 -1.11 0.00 0.00 177.39 173.44 1wi7 n ASN 48 N -1.49 3.68 0.00 1.96 2.85 -1.26 -4.74 115.26 116.27 1wi7 n ASN 48 Ca 0.00 -3.26 0.00 0.00 -0.11 0.00 0.00 54.58 51.21 1wi7 n ASN 48 Cb 0.00 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 40.59 1wi7 n ASN 48 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wi7 n GLY 49 N -0.51 0.17 0.00 8.20 0.00 -1.26 -5.06 105.19 106.73 1wi7 n GLY 49 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1wi7 n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wi7 n LYS 50 N -1.79 2.28 -3.60 1.61 0.00 -1.26 -5.10 118.16 110.30 1wi7 n LYS 50 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1wi7 n LYS 50 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 34.98 1wi7 n LYS 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1wi7 s THR 51 N 1.12 0.00 0.00 0.58 2.01 -1.26 -3.99 115.64 114.10 1wi7 s THR 51 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1wi7 s THR 51 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1wi7 s THR 51 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1wi7 n GLY 52 N 0.78 1.27 3.71 4.40 0.00 -1.19 -4.71 105.19 109.44 1wi7 n GLY 52 Ca -0.08 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 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 4.48 0.10 1.61 0.23 -1.26 -3.68 119.30 118.79 1wi7 s MET 53 Ca 0.00 1.18 0.04 0.00 -1.03 0.00 0.00 55.69 55.88 1wi7 s MET 53 Cb 0.00 -3.47 -0.04 0.00 -1.53 0.00 0.00 34.83 29.79 1wi7 s MET 53 CO 0.00 -0.05 -0.10 -0.59 -2.03 0.00 0.00 175.02 172.25 1wi7 s PHE 54 N 1.11 1.07 0.13 3.16 -0.71 -0.15 -3.99 117.98 118.60 1wi7 s PHE 54 Ca 0.45 -0.68 -0.30 0.00 -1.04 0.00 0.00 56.93 55.36 1wi7 s PHE 54 Cb -0.19 -0.58 -0.07 0.00 -1.21 0.00 0.00 43.02 40.97 1wi7 s PHE 54 CO 0.22 -0.00 1.14 -1.25 -1.34 0.00 0.00 175.22 173.99 1wi7 s PRO 55 N -2.94 4.53 0.00 1.99 0.04 -1.26 0.26 135.00 137.62 1wi7 s PRO 55 Ca 0.07 1.74 0.19 0.00 0.04 0.00 0.00 61.00 63.03 1wi7 s PRO 55 Cb -0.02 -3.31 0.69 0.00 0.04 0.00 0.00 34.50 31.91 1wi7 s PRO 55 CO -0.00 -0.06 1.50 -1.13 0.04 0.00 0.00 177.00 177.35 1wi7 n SER 56 N 2.98 1.59 -1.25 6.66 3.41 -0.25 -3.35 113.62 123.41 1wi7 n SER 56 Ca 0.05 -1.74 0.11 0.00 -0.26 0.00 0.00 58.87 57.03 1wi7 n SER 56 Cb 0.46 -0.12 0.30 0.00 -0.26 0.00 0.00 64.21 64.59 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 0.28 3.80 -1.30 4.04 5.15 -1.26 -4.19 115.26 121.79 1wi7 n ASN 57 Ca 0.15 -2.00 0.03 0.00 -0.60 0.00 0.00 54.58 52.16 1wi7 n ASN 57 Cb 0.31 -0.45 0.10 0.00 -0.53 0.00 0.00 39.78 39.20 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 1.48 0.28 -3.97 1.20 3.01 -1.21 -5.07 117.46 113.18 1wi7 n PHE 58 Ca 0.23 -1.13 -0.03 0.00 1.01 0.00 0.00 57.45 57.52 1wi7 n PHE 58 Cb 0.59 -0.21 -0.01 0.00 -0.01 0.00 0.00 39.48 39.84 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 -0.29 0.00 -3.36 4.37 -6.64 -1.26 -3.32 119.36 108.87 1wi7 n ILE 59 Ca 0.14 -0.43 -0.11 0.00 -1.77 0.00 0.00 62.75 60.58 1wi7 n ILE 59 Cb 0.93 0.22 -0.08 0.00 -1.44 0.00 0.00 39.64 39.27 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 -2.23 0.35 1.06 6.28 -2.85 0.38 -4.73 119.74 117.99 1wi7 s LYS 60 Ca 0.07 0.31 -0.16 0.00 -1.00 0.00 0.00 55.97 55.19 1wi7 s LYS 60 Cb 0.00 -0.53 0.10 0.00 -2.06 0.00 0.00 37.83 35.34 1wi7 s LYS 60 CO 0.05 -0.80 0.27 0.39 0.10 0.00 0.00 175.35 175.36 1wi7 n GLU 61 N 5.35 -1.14 -3.54 1.78 4.71 -1.26 -1.10 120.64 125.44 1wi7 n GLU 61 Ca -0.02 -0.30 -0.22 0.00 -0.01 0.00 0.00 57.16 56.60 1wi7 n GLU 61 Cb 0.49 -1.82 -0.15 0.00 -1.01 0.00 0.00 31.44 28.96 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 -1.85 0.11 -0.83 -4.62 1.43 -1.23 -4.72 118.68 106.97 1wi7 s LEU 62 Ca 0.58 -0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 53.03 1wi7 s LEU 62 Cb -0.17 0.09 0.14 0.00 0.03 0.00 0.00 46.19 46.29 1wi7 s LEU 62 CO 0.66 -0.35 0.96 -0.55 0.23 0.00 0.00 176.35 177.31 1wi7 s SER 63 N 2.24 6.54 0.00 2.29 0.15 -1.26 -4.82 113.70 118.84 1wi7 s SER 63 Ca 0.05 -2.00 0.00 0.00 0.70 0.00 0.00 55.95 54.70 1wi7 s SER 63 Cb -0.16 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1wi7 s SER 63 CO -0.13 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 173.93 1wi7 n GLY 64 N 5.10 -1.41 3.56 9.45 0.00 -1.26 -4.68 105.19 115.95 1wi7 n GLY 64 Ca 0.13 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.59 3.02 -0.30 1.61 0.04 -1.26 -4.85 135.00 131.68 1wi7 s PRO 65 Ca 0.00 -0.40 -0.18 0.00 0.04 0.00 0.00 61.00 60.46 1wi7 s PRO 65 Cb 0.00 -4.89 0.19 0.00 0.04 0.00 0.00 34.50 29.84 1wi7 s PRO 65 CO 0.00 -2.66 1.22 -1.54 0.04 0.00 0.00 177.00 174.06 1wi7 s SER 66 N 6.27 -0.18 0.08 6.66 1.04 -1.26 -5.17 113.70 121.14 1wi7 s SER 66 Ca 0.55 0.30 0.09 0.00 0.48 0.00 0.00 55.95 57.37 1wi7 s SER 66 Cb -0.06 0.89 -0.03 0.00 0.10 0.00 0.00 66.02 66.92 1wi7 s SER 66 CO 0.03 -0.05 -0.23 -0.94 0.98 0.00 0.00 173.24 173.03 1wi7 s SER 67 N 0.87 2.77 0.00 7.02 1.04 -1.26 -4.79 113.70 119.35 1wi7 s SER 67 Ca -0.05 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1wi7 s SER 67 Cb -0.03 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1wi7 s SER 67 CO -0.12 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.85