#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ed9 s SER 2 N 0.00 -0.66 0.34 1.61 0.15 -1.26 -5.18 113.70 108.70 2ed9 s SER 2 Ca 0.00 0.44 0.09 0.00 0.70 0.00 0.00 55.95 57.18 2ed9 s SER 2 Cb 0.00 1.57 -0.06 0.00 -1.71 0.00 0.00 66.02 65.81 2ed9 s SER 2 CO 0.00 -0.12 -0.09 -0.94 1.20 0.00 0.00 173.24 173.29 2ed9 s SER 3 N 2.91 3.64 0.00 5.45 1.04 -1.26 -5.15 113.70 120.33 2ed9 s SER 3 Ca 0.04 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.26 2ed9 s SER 3 Cb -0.11 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.68 2ed9 s SER 3 CO -0.13 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2ed9 n GLY 4 N -0.78 4.44 3.85 7.32 0.00 -1.26 -5.19 105.19 113.56 2ed9 n GLY 4 Ca -0.05 -1.23 0.01 0.00 0.00 0.00 0.00 46.02 44.75 2ed9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ed9 s SER 5 N 1.16 -0.02 0.08 1.61 0.15 -1.26 -5.20 113.70 110.22 2ed9 s SER 5 Ca 0.00 -0.25 -0.26 0.00 0.70 0.00 0.00 55.95 56.14 2ed9 s SER 5 Cb 0.00 0.21 0.09 0.00 -1.71 0.00 0.00 66.02 64.61 2ed9 s SER 5 CO 0.00 -0.40 1.17 -0.94 1.20 0.00 0.00 173.24 174.26 2ed9 s SER 6 N -3.46 -0.01 0.12 5.45 1.04 -1.26 -5.20 113.70 110.39 2ed9 s SER 6 Ca 0.23 -0.40 -0.19 0.00 0.48 0.00 0.00 55.95 56.06 2ed9 s SER 6 Cb 0.01 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.51 2ed9 s SER 6 CO -0.01 -0.62 0.92 0.61 0.98 0.00 0.00 173.24 175.12 2ed9 n GLY 7 N -0.74 0.62 3.58 7.32 0.00 -1.26 -5.19 105.19 109.52 2ed9 n GLY 7 Ca -0.01 -1.10 -0.02 0.00 0.00 0.00 0.00 46.02 44.89 2ed9 n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ed9 n ASN 8 N -1.15 -1.53 -3.65 1.61 0.23 -1.26 -5.18 115.26 104.34 2ed9 n ASN 8 Ca -0.01 -1.74 -0.03 0.00 -0.53 0.00 0.00 54.58 52.27 2ed9 n ASN 8 Cb 0.50 2.47 -0.07 0.00 -2.08 0.00 0.00 39.78 40.60 2ed9 n ASN 8 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 2ed9 s ARG 9 N -2.04 0.28 0.17 -3.83 3.00 -1.26 -5.19 118.95 110.08 2ed9 s ARG 9 Ca 0.22 0.42 -0.05 0.00 -1.00 0.00 0.00 55.73 55.33 2ed9 s ARG 9 Cb -0.02 0.08 -0.03 0.00 0.00 0.00 0.00 34.95 34.99 2ed9 s ARG 9 CO 0.04 -0.05 0.19 1.52 0.00 0.00 0.00 175.30 177.00 2ed9 s TYR 10 N 0.87 0.73 -0.33 5.12 1.13 -1.26 -5.13 117.35 118.48 2ed9 s TYR 10 Ca -0.04 -1.06 -0.09 0.00 -1.41 0.00 0.00 57.07 54.47 2ed9 s TYR 10 Cb -0.04 -0.30 0.20 0.00 -1.10 0.00 0.00 41.96 40.73 2ed9 s TYR 10 CO -0.12 -0.66 1.10 0.20 -2.51 0.00 0.00 175.55 173.57 2ed9 s GLY 11 N -3.04 -1.80 1.02 5.49 0.00 -1.26 -5.17 107.32 102.55 2ed9 s GLY 11 Ca 0.25 0.95 -0.17 0.00 0.00 0.00 0.00 44.72 45.74 2ed9 s GLY 11 CO 0.04 4.35 0.90 -1.55 0.00 0.00 0.00 173.10 176.85 2ed9 n PRO 12 N 3.01 -2.79 -4.37 2.90 -0.04 -1.26 -5.08 135.00 127.38 2ed9 n PRO 12 Ca 0.09 -1.45 -0.20 0.00 -0.04 0.00 0.00 63.50 61.90 2ed9 n PRO 12 Cb 0.65 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.62 2ed9 n PRO 12 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2ed9 s GLY 13 N -4.13 0.71 -0.01 0.55 0.00 -1.26 -5.15 107.32 98.04 2ed9 s GLY 13 Ca 0.59 -0.74 0.01 0.00 0.00 0.00 0.00 44.72 44.58 2ed9 s GLY 13 CO 0.45 -0.71 -0.03 0.14 0.00 0.00 0.00 173.10 172.96 2ed9 s VAL 14 N -0.74 0.24 0.17 1.40 1.01 -1.26 -5.16 120.40 116.07 2ed9 s VAL 14 Ca 0.01 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 2ed9 s VAL 14 Cb -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.09 2ed9 s VAL 14 CO 0.01 0.08 0.36 -0.94 0.00 0.00 0.00 175.10 174.61 2ed9 s SER 15 N 0.08 -0.06 -0.26 3.32 1.04 -1.26 -5.09 113.70 111.48 2ed9 s SER 15 Ca -0.00 -0.74 -0.14 0.00 0.48 0.00 0.00 55.95 55.55 2ed9 s SER 15 Cb -0.03 0.48 -0.14 0.00 0.10 0.00 0.00 66.02 66.43 2ed9 s SER 15 CO -0.00 -0.95 -0.22 0.35 0.98 0.00 0.00 173.24 173.41 2ed9 n THR 16 N -0.25 1.53 -4.12 2.02 -2.24 -1.26 -4.98 114.28 104.98 2ed9 n THR 16 Ca -0.08 -0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 61.01 2ed9 n THR 16 Cb 0.63 -1.86 -0.02 0.00 -2.10 0.00 0.00 70.33 66.97 2ed9 n THR 16 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2ed9 n ASP 17 N -4.16 -3.43 -4.42 3.42 -0.08 -1.26 -4.91 116.55 101.71 2ed9 n ASP 17 Ca -0.49 -0.92 -0.38 0.00 -1.51 0.00 0.00 54.79 51.49 2ed9 n ASP 17 Cb 0.86 -2.81 -0.12 0.00 2.34 0.00 0.00 41.12 41.40 2ed9 n ASP 17 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2ed9 s ASP 18 N -3.21 5.38 0.08 1.67 1.01 -1.26 -5.08 116.67 115.26 2ed9 s ASP 18 Ca 0.71 -0.53 0.07 0.00 0.71 0.00 0.00 52.55 53.51 2ed9 s ASP 18 Cb -0.39 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 2ed9 s ASP 18 CO 0.87 -0.17 -0.19 0.27 0.21 0.00 0.00 175.17 176.16 2ed9 s ILE 19 N 1.58 1.58 -0.06 0.77 -0.00 -1.26 -5.14 121.20 118.67 2ed9 s ILE 19 Ca 0.04 -1.40 -0.00 0.00 -0.00 0.00 0.00 60.65 59.29 2ed9 s ILE 19 Cb -0.17 -1.43 0.03 0.00 -0.00 0.00 0.00 42.46 40.89 2ed9 s ILE 19 CO 0.05 -0.02 -0.02 0.42 -0.00 0.00 0.00 174.94 175.37 2ed9 s THR 20 N -1.08 0.44 1.09 8.37 -4.23 -1.26 -5.14 115.64 113.83 2ed9 s THR 20 Ca 0.05 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.45 2ed9 s THR 20 Cb -0.10 -0.54 0.23 0.00 1.34 0.00 0.00 72.50 73.43 2ed9 s THR 20 CO 0.03 0.24 0.97 1.33 -0.54 0.00 0.00 174.62 176.65 2ed9 n VAL 21 N 4.62 0.00 -3.68 2.29 0.24 -1.26 -4.97 118.33 115.57 2ed9 n VAL 21 Ca -0.16 -0.29 -0.37 0.00 -2.04 0.00 0.00 64.34 61.47 2ed9 n VAL 21 Cb 0.50 -0.96 -0.09 0.00 -1.47 0.00 0.00 33.84 31.83 2ed9 n VAL 21 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2ed9 s VAL 22 N -2.47 3.90 0.02 3.34 1.01 -1.26 -5.05 120.40 119.90 2ed9 s VAL 22 Ca 0.67 -2.93 0.01 0.00 0.00 0.00 0.00 61.98 59.73 2ed9 s VAL 22 Cb -0.24 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2ed9 s VAL 22 CO 0.63 -0.90 -0.05 0.28 0.00 0.00 0.00 175.10 175.06 2ed9 s THR 23 N -0.07 0.36 -0.03 3.92 -1.32 -1.26 -5.16 115.64 112.09 2ed9 s THR 23 Ca 0.17 -0.78 0.02 0.00 -1.21 0.00 0.00 61.69 59.90 2ed9 s THR 23 Cb -0.19 -0.42 0.01 0.00 -1.51 0.00 0.00 72.50 70.38 2ed9 s THR 23 CO -0.04 -0.28 -0.09 -0.76 -2.21 0.00 0.00 174.62 171.24 2ed9 s LEU 24 N -1.13 1.75 0.00 9.08 1.02 -1.26 -5.15 118.68 122.98 2ed9 s LEU 24 Ca -0.08 -0.18 0.01 0.00 0.02 0.00 0.00 54.13 53.90 2ed9 s LEU 24 Cb -0.08 -0.54 0.01 0.00 0.02 0.00 0.00 46.19 45.60 2ed9 s LEU 24 CO -0.00 0.05 0.11 -1.20 0.02 0.00 0.00 176.35 175.34 2ed9 n SER 25 N 3.37 2.29 -0.31 2.29 7.64 -1.26 -5.01 113.62 122.63 2ed9 n SER 25 Ca -0.19 -2.07 0.14 0.00 1.01 0.00 0.00 58.87 57.76 2ed9 n SER 25 Cb 0.54 0.08 0.31 0.00 -1.01 0.00 0.00 64.21 64.13 2ed9 n SER 25 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2ed9 h ASP 26 N 0.48 0.33 -2.67 6.43 3.32 -2.02 -3.42 116.42 118.87 2ed9 h ASP 26 Ca -0.20 0.16 -0.58 0.00 0.02 0.00 0.00 57.03 56.43 2ed9 h ASP 26 Cb 0.66 0.14 0.19 0.00 0.22 0.00 0.00 39.33 40.54 2ed9 h ASP 26 CO 0.32 -0.01 -0.78 1.33 -1.72 0.00 0.00 179.24 178.39 2ed9 n VAL 27 N -5.05 1.17 -1.55 -1.35 0.24 -1.26 -4.61 118.33 105.93 2ed9 n VAL 27 Ca 0.22 -0.46 -0.32 0.00 -2.04 0.00 0.00 64.34 61.74 2ed9 n VAL 27 Cb 0.67 -0.43 0.07 0.00 -1.47 0.00 0.00 33.84 32.67 2ed9 n VAL 27 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2ed9 s PRO 28 N -2.02 2.57 0.00 7.34 0.04 -1.26 -4.95 135.00 136.72 2ed9 s PRO 28 Ca 0.61 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.95 2ed9 s PRO 28 Cb -0.40 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.24 2ed9 s PRO 28 CO 0.62 -1.41 0.96 0.45 0.04 0.00 0.00 177.00 177.66 2ed9 n SER 29 N -2.88 1.95 -4.20 6.66 2.88 -1.26 -4.25 113.62 112.52 2ed9 n SER 29 Ca 0.10 -1.88 -0.30 0.00 -1.33 0.00 0.00 58.87 55.45 2ed9 n SER 29 Cb 0.52 -0.02 -0.17 0.00 -0.75 0.00 0.00 64.21 63.80 2ed9 n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ed9 s ALA 30 N -0.89 1.96 0.98 -1.46 0.00 -1.26 -5.01 121.76 116.08 2ed9 s ALA 30 Ca 0.02 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 2ed9 s ALA 30 Cb 0.01 -0.69 0.18 0.00 0.00 0.00 0.00 23.12 22.62 2ed9 s ALA 30 CO 0.01 0.31 1.09 -1.25 0.00 0.00 0.00 175.76 175.92 2ed9 s PRO 31 N 0.18 0.55 1.21 0.00 0.04 -1.26 -4.75 135.00 130.97 2ed9 s PRO 31 Ca -0.11 0.58 -0.20 0.00 0.04 0.00 0.00 61.00 61.31 2ed9 s PRO 31 Cb -0.15 -1.75 0.29 0.00 0.04 0.00 0.00 34.50 32.93 2ed9 s PRO 31 CO 0.06 -2.66 1.11 -1.25 0.04 0.00 0.00 177.00 174.30 2ed9 s PRO 32 N -4.95 -1.31 0.38 0.56 0.04 -1.26 -4.63 135.00 123.82 2ed9 s PRO 32 Ca 0.65 -0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.63 2ed9 s PRO 32 Cb -0.19 -1.59 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 2ed9 s PRO 32 CO 0.58 -3.77 0.05 -0.65 0.04 0.00 0.00 177.00 173.25 2ed9 s GLN 33 N -5.43 1.84 -1.43 4.56 -0.21 -0.79 -4.78 119.66 113.43 2ed9 s GLN 33 Ca 0.71 -2.06 -0.12 0.00 0.02 0.00 0.00 55.36 53.91 2ed9 s GLN 33 Cb -0.09 -1.07 0.09 0.00 1.00 0.00 0.00 33.01 32.94 2ed9 s GLN 33 CO 0.56 -0.23 0.65 -1.71 -2.12 0.00 0.00 175.29 172.44 2ed9 n ASN 34 N -0.93 -4.04 -4.51 5.90 5.15 -1.26 -1.22 115.26 114.34 2ed9 n ASN 34 Ca -0.06 -0.57 -0.42 0.00 -0.60 0.00 0.00 54.58 52.93 2ed9 n ASN 34 Cb 0.66 -3.30 -0.03 0.00 -0.53 0.00 0.00 39.78 36.58 2ed9 n ASN 34 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2ed9 s VAL 35 N -3.08 4.23 0.21 3.44 1.01 -1.26 -4.12 120.40 120.83 2ed9 s VAL 35 Ca 0.51 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2ed9 s VAL 35 Cb -0.27 -4.94 -0.05 0.00 0.00 0.00 0.00 36.38 31.13 2ed9 s VAL 35 CO 0.63 -1.76 0.07 -0.44 0.00 0.00 0.00 175.10 173.61 2ed9 s SER 36 N 4.38 0.94 0.07 3.32 0.01 -1.25 -5.07 113.70 116.10 2ed9 s SER 36 Ca 0.40 -1.31 0.08 0.00 1.31 0.00 0.00 55.95 56.43 2ed9 s SER 36 Cb -0.03 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.37 2ed9 s SER 36 CO -0.08 -0.70 -0.22 -0.76 0.41 0.00 0.00 173.24 171.88 2ed9 s LEU 37 N -3.22 2.23 -0.24 2.44 1.43 -1.26 -3.88 118.68 116.18 2ed9 s LEU 37 Ca 0.33 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2ed9 s LEU 37 Cb 0.07 -1.00 0.07 0.00 0.03 0.00 0.00 46.19 45.36 2ed9 s LEU 37 CO 0.10 0.14 0.04 -0.70 0.23 0.00 0.00 176.35 176.15 2ed9 s GLU 38 N -1.54 0.87 -0.32 1.70 2.12 -0.99 -5.06 118.70 115.48 2ed9 s GLU 38 Ca 0.08 -0.75 -0.28 0.00 0.36 0.00 0.00 54.97 54.38 2ed9 s GLU 38 Cb -0.09 -2.17 -0.02 0.00 0.26 0.00 0.00 34.13 32.10 2ed9 s GLU 38 CO 0.03 -0.75 1.83 0.08 -0.54 0.00 0.00 175.26 175.92 2ed9 s VAL 39 N 1.68 3.44 -0.16 3.70 1.01 -1.26 -2.30 120.40 126.51 2ed9 s VAL 39 Ca 0.02 0.44 -0.17 0.00 0.00 0.00 0.00 61.98 62.27 2ed9 s VAL 39 Cb -0.17 -3.59 -0.23 0.00 0.00 0.00 0.00 36.38 32.38 2ed9 s VAL 39 CO -0.13 -0.38 0.35 0.58 0.00 0.00 0.00 175.10 175.52 2ed9 h VAL 40 N 6.83 0.89 -3.94 2.92 2.07 -1.90 -3.48 116.25 119.64 2ed9 h VAL 40 Ca -0.34 -2.28 -0.28 0.00 0.82 0.00 0.00 66.70 64.62 2ed9 h VAL 40 Cb 1.17 2.45 -0.07 0.00 -1.52 0.00 0.00 31.29 33.32 2ed9 h VAL 40 CO 1.02 0.57 -0.16 0.59 0.02 0.00 0.00 177.57 179.61 2ed9 n ASN 41 N -4.07 -1.21 0.08 0.57 3.02 0.96 -4.97 115.26 109.64 2ed9 n ASN 41 Ca -0.30 -2.79 0.13 0.00 -0.03 0.00 0.00 54.58 51.60 2ed9 n ASN 41 Cb 0.82 2.30 0.46 0.00 -0.61 0.00 0.00 39.78 42.75 2ed9 n ASN 41 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2ed9 n SER 42 N -1.67 0.59 0.00 6.41 3.41 -1.26 -3.44 113.62 117.66 2ed9 n SER 42 Ca 0.01 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 2ed9 n SER 42 Cb 0.55 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2ed9 n SER 42 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2ed9 n ARG 43 N -2.07 0.43 -3.86 4.33 1.85 -1.26 -3.93 116.66 112.15 2ed9 n ARG 43 Ca 0.05 -0.62 -0.15 0.00 -1.00 0.00 0.00 57.85 56.14 2ed9 n ARG 43 Cb 0.38 -0.77 -0.15 0.00 -1.05 0.00 0.00 32.46 30.86 2ed9 n ARG 43 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2ed9 s SER 44 N -0.25 0.16 -0.01 2.89 0.01 -1.22 0.13 113.70 115.41 2ed9 s SER 44 Ca 0.00 0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.27 2ed9 s SER 44 Cb 0.00 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.15 2ed9 s SER 44 CO 0.00 -0.08 -0.02 -0.63 0.41 0.00 0.00 173.24 172.92 2ed9 s ILE 45 N 0.71 0.23 -0.11 1.44 1.01 -0.99 -0.03 121.20 123.46 2ed9 s ILE 45 Ca -0.06 -0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 2ed9 s ILE 45 Cb -0.09 -0.24 -0.05 0.00 0.01 0.00 0.00 42.46 42.09 2ed9 s ILE 45 CO -0.02 0.10 0.23 -0.75 0.00 0.00 0.00 174.94 174.50 2ed9 s LYS 46 N 0.30 3.83 -0.12 2.79 2.47 -0.97 -2.39 119.74 125.64 2ed9 s LYS 46 Ca -0.03 0.02 -0.01 0.00 -1.56 0.00 0.00 55.97 54.40 2ed9 s LYS 46 Cb -0.06 -3.28 0.03 0.00 -1.46 0.00 0.00 37.83 33.06 2ed9 s LYS 46 CO -0.01 0.57 -0.05 0.08 0.16 0.00 0.00 175.35 176.10 2ed9 s VAL 47 N -0.52 0.92 0.32 4.02 1.01 -1.11 -2.36 120.40 122.69 2ed9 s VAL 47 Ca 0.16 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 61.94 2ed9 s VAL 47 Cb -0.13 -1.01 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 2ed9 s VAL 47 CO 0.05 0.28 -0.12 -0.44 0.00 0.00 0.00 175.10 174.87 2ed9 s SER 48 N 1.74 3.64 0.35 3.32 0.01 -1.25 -1.37 113.70 120.15 2ed9 s SER 48 Ca 0.04 -1.15 -0.11 0.00 1.31 0.00 0.00 55.95 56.04 2ed9 s SER 48 Cb -0.13 -0.33 0.04 0.00 0.21 0.00 0.00 66.02 65.81 2ed9 s SER 48 CO -0.08 -0.15 0.65 -2.67 0.41 0.00 0.00 173.24 171.40 2ed9 n TRP 49 N -0.74 -2.03 -3.77 2.43 2.14 -1.08 -3.93 117.44 110.47 2ed9 n TRP 49 Ca -0.05 -1.79 -0.10 0.00 2.07 0.00 0.00 57.50 57.63 2ed9 n TRP 49 Cb 0.63 0.76 -0.07 0.00 -0.81 0.00 0.00 31.31 31.81 2ed9 n TRP 49 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2ed9 s LEU 50 N 0.00 0.99 0.79 5.67 1.43 -0.35 -4.92 118.68 122.28 2ed9 s LEU 50 Ca 0.17 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 2ed9 s LEU 50 Cb -0.04 1.32 0.07 0.00 0.03 0.00 0.00 46.19 47.57 2ed9 s LEU 50 CO 0.13 -0.70 1.09 -2.16 0.23 0.00 0.00 176.35 174.94 2ed9 s PRO 51 N -3.23 2.13 0.94 1.29 0.04 -1.26 -1.88 135.00 133.03 2ed9 s PRO 51 Ca -0.00 1.12 -0.12 0.00 0.04 0.00 0.00 61.00 62.04 2ed9 s PRO 51 Cb 0.02 -1.89 0.15 0.00 0.04 0.00 0.00 34.50 32.82 2ed9 s PRO 51 CO -0.08 -1.72 1.09 -1.25 0.04 0.00 0.00 177.00 175.09 2ed9 s PRO 52 N -4.91 0.90 0.80 0.56 0.04 -1.26 -4.21 135.00 126.92 2ed9 s PRO 52 Ca 0.61 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.24 2ed9 s PRO 52 Cb -0.17 -1.78 0.08 0.00 0.04 0.00 0.00 34.50 32.67 2ed9 s PRO 52 CO 0.56 -2.45 1.09 -1.25 0.04 0.00 0.00 177.00 174.99 2ed9 s PRO 53 N -4.95 2.00 1.06 0.56 0.04 -1.26 -4.92 135.00 127.52 2ed9 s PRO 53 Ca 0.64 1.08 -0.15 0.00 0.04 0.00 0.00 61.00 62.61 2ed9 s PRO 53 Cb -0.18 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.59 2ed9 s PRO 53 CO 0.57 -1.80 0.33 0.43 0.04 0.00 0.00 177.00 176.57 2ed9 n SER 54 N -3.62 -2.04 0.00 6.66 7.64 -1.26 -3.77 113.62 117.23 2ed9 n SER 54 Ca 0.09 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2ed9 n SER 54 Cb 0.54 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2ed9 n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ed9 n GLY 55 N 1.62 2.11 0.36 0.23 0.00 -1.26 -4.41 105.19 103.84 2ed9 n GLY 55 Ca 0.04 0.12 0.31 0.00 0.00 0.00 0.00 46.02 46.49 2ed9 n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ed9 n THR 56 N 0.00 -0.22 -1.61 2.61 -2.24 -1.25 -4.25 114.28 107.32 2ed9 n THR 56 Ca 0.00 1.46 -0.45 0.00 -2.27 0.00 0.00 64.05 62.79 2ed9 n THR 56 Cb 0.00 -2.40 -0.04 0.00 -2.10 0.00 0.00 70.33 65.79 2ed9 n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ed9 n GLN 57 N -4.36 2.09 -0.13 -0.78 6.02 -1.25 -4.68 117.38 114.30 2ed9 n GLN 57 Ca 0.32 0.68 -0.26 0.00 -0.01 0.00 0.00 57.00 57.73 2ed9 n GLN 57 Cb 1.22 -2.93 -0.11 0.00 1.02 0.00 0.00 30.24 29.45 2ed9 n GLN 57 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2ed9 n ASN 58 N 9.25 1.92 -4.83 1.08 5.15 -1.26 -5.02 115.26 121.55 2ed9 n ASN 58 Ca 0.28 0.37 -0.23 0.00 -0.60 0.00 0.00 54.58 54.40 2ed9 n ASN 58 Cb 0.37 -0.88 -0.04 0.00 -0.53 0.00 0.00 39.78 38.70 2ed9 n ASN 58 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2ed9 s GLY 59 N -5.24 2.26 -0.53 8.20 0.00 -1.26 -5.07 107.32 105.68 2ed9 s GLY 59 Ca -0.35 -1.84 -0.28 0.00 0.00 0.00 0.00 44.72 42.25 2ed9 s GLY 59 CO 0.53 -1.83 1.14 -0.12 0.00 0.00 0.00 173.10 172.82 2ed9 s PHE 60 N -2.58 2.72 0.14 1.90 5.36 -1.26 -4.74 117.98 119.53 2ed9 s PHE 60 Ca 0.43 0.50 -0.33 0.00 -0.96 0.00 0.00 56.93 56.57 2ed9 s PHE 60 Cb -0.00 -4.43 -0.13 0.00 -0.34 0.00 0.00 43.02 38.12 2ed9 s PHE 60 CO 0.24 -1.42 1.68 -0.89 -1.46 0.00 0.00 175.22 173.38 2ed9 n ILE 61 N 6.70 0.11 -0.09 3.12 5.41 -1.26 -2.10 119.36 131.26 2ed9 n ILE 61 Ca 0.09 -0.02 -0.14 0.00 1.00 0.00 0.00 62.75 63.68 2ed9 n ILE 61 Cb 0.49 -1.76 -0.07 0.00 -0.71 0.00 0.00 39.64 37.58 2ed9 n ILE 61 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2ed9 n THR 62 N 3.90 0.98 -1.29 1.39 -2.24 -0.74 -4.94 114.28 111.35 2ed9 n THR 62 Ca 0.17 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2ed9 n THR 62 Cb 0.31 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 2ed9 n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ed9 n GLY 63 N 2.40 4.35 3.51 3.38 0.00 -1.25 -4.96 105.19 112.61 2ed9 n GLY 63 Ca -0.32 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 2ed9 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ed9 s TYR 64 N 0.01 0.04 -0.08 1.61 1.51 -1.26 -2.92 117.35 116.27 2ed9 s TYR 64 Ca 0.00 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.69 2ed9 s TYR 64 Cb 0.00 0.29 0.01 0.00 -0.11 0.00 0.00 41.96 42.15 2ed9 s TYR 64 CO 0.00 -0.90 -0.17 0.21 -1.11 0.00 0.00 175.55 173.58 2ed9 s LYS 65 N -3.91 2.20 -0.29 -0.62 2.20 -0.65 -3.87 119.74 114.80 2ed9 s LYS 65 Ca 0.12 -0.59 -0.03 0.00 -0.36 0.00 0.00 55.97 55.11 2ed9 s LYS 65 Cb -0.00 -1.74 0.03 0.00 -1.51 0.00 0.00 37.83 34.61 2ed9 s LYS 65 CO -0.00 0.09 0.01 0.42 -0.36 0.00 0.00 175.35 175.51 2ed9 s ILE 66 N 0.51 3.27 -0.37 5.43 1.01 -0.46 -1.90 121.20 128.69 2ed9 s ILE 66 Ca -0.16 -1.10 -0.13 0.00 0.00 0.00 0.00 60.65 59.27 2ed9 s ILE 66 Cb -0.16 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.54 2ed9 s ILE 66 CO 0.06 0.01 0.24 -0.13 0.00 0.00 0.00 174.94 175.12 2ed9 s ARG 67 N 1.35 3.13 -0.04 2.79 1.81 0.04 -1.13 118.95 126.91 2ed9 s ARG 67 Ca -0.02 -0.89 0.05 0.00 -1.72 0.00 0.00 55.73 53.16 2ed9 s ARG 67 Cb -0.18 -3.82 -0.01 0.00 -0.45 0.00 0.00 34.95 30.49 2ed9 s ARG 67 CO -0.01 -0.61 -0.20 -3.38 -0.68 0.00 0.00 175.30 170.42 2ed9 s HIS 68 N 1.65 1.94 -0.02 -0.53 -3.43 -0.84 -1.10 115.29 112.97 2ed9 s HIS 68 Ca 0.05 -0.51 -0.09 0.00 -0.80 0.00 0.00 55.06 53.70 2ed9 s HIS 68 Cb -0.18 -1.28 0.01 0.00 -1.43 0.00 0.00 32.58 29.70 2ed9 s HIS 68 CO 0.09 -0.14 0.20 -0.98 -2.00 0.00 0.00 174.74 171.91 2ed9 s ARG 69 N -0.16 0.48 -0.06 -0.38 1.04 -1.17 -3.15 118.95 115.56 2ed9 s ARG 69 Ca -0.00 -0.20 -0.19 0.00 -1.04 0.00 0.00 55.73 54.30 2ed9 s ARG 69 Cb -0.11 0.21 -0.05 0.00 -2.04 0.00 0.00 34.95 32.96 2ed9 s ARG 69 CO 0.02 -0.11 0.55 0.21 -0.04 0.00 0.00 175.30 175.92 2ed9 s LYS 70 N -1.05 4.31 -0.96 3.89 2.47 -1.26 -3.42 119.74 123.73 2ed9 s LYS 70 Ca -0.11 0.62 -0.16 0.00 -1.56 0.00 0.00 55.97 54.75 2ed9 s LYS 70 Cb -0.06 -3.38 -0.28 0.00 -1.46 0.00 0.00 37.83 32.65 2ed9 s LYS 70 CO 0.02 0.28 2.31 -2.37 0.16 0.00 0.00 175.35 175.75 2ed9 n THR 71 N 3.14 -0.00 -3.43 3.43 5.66 -1.26 -4.78 114.28 117.04 2ed9 n THR 71 Ca -0.07 -0.40 -0.12 0.00 -3.05 0.00 0.00 64.05 60.41 2ed9 n THR 71 Cb 0.51 -0.44 -0.02 0.00 -1.55 0.00 0.00 70.33 68.84 2ed9 n THR 71 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2ed9 s THR 72 N 4.11 0.00 0.08 1.09 -1.32 -1.26 -5.07 115.64 113.27 2ed9 s THR 72 Ca 1.27 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 61.55 2ed9 s THR 72 Cb -0.84 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.08 2ed9 s THR 72 CO 0.49 0.00 1.34 -0.09 -2.21 0.00 0.00 174.62 174.15 2ed9 h ARG 73 N 2.04 -0.26 -3.88 7.08 9.65 -2.06 -3.42 114.38 123.54 2ed9 h ARG 73 Ca -0.32 0.02 -0.37 0.00 -1.10 0.00 0.00 59.98 58.21 2ed9 h ARG 73 Cb 1.30 0.06 -0.34 0.00 -1.39 0.00 0.00 29.97 29.60 2ed9 h ARG 73 CO 0.37 -0.18 -0.76 1.03 2.80 0.00 0.00 179.97 183.24 2ed9 s ARG 74 N -4.65 0.53 0.00 0.20 0.52 -1.26 -5.00 118.95 109.28 2ed9 s ARG 74 Ca -0.09 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 2ed9 s ARG 74 Cb 0.05 -0.62 0.00 0.00 0.52 0.00 0.00 34.95 34.90 2ed9 s ARG 74 CO 0.38 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.02 2ed9 n GLY 75 N 4.02 0.00 3.91 -3.53 0.00 -1.26 -5.10 105.19 103.22 2ed9 n GLY 75 Ca -0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 2ed9 n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ed9 s GLU 76 N 0.00 1.68 -0.29 1.61 2.02 -1.26 -4.19 118.70 118.26 2ed9 s GLU 76 Ca 0.00 -0.06 -0.20 0.00 0.02 0.00 0.00 54.97 54.72 2ed9 s GLU 76 Cb 0.00 -1.95 0.16 0.00 0.10 0.00 0.00 34.13 32.43 2ed9 s GLU 76 CO 0.00 -1.75 1.12 1.41 0.02 0.00 0.00 175.26 176.06 2ed9 s MET 77 N -5.61 0.30 0.14 1.61 1.75 -1.19 -5.00 119.30 111.30 2ed9 s MET 77 Ca 0.65 0.44 0.07 0.00 -1.25 0.00 0.00 55.69 55.60 2ed9 s MET 77 Cb -0.09 0.11 -0.04 0.00 2.84 0.00 0.00 34.83 37.64 2ed9 s MET 77 CO 0.49 -0.05 -0.07 -1.83 -0.65 0.00 0.00 175.02 172.92 2ed9 s GLU 78 N 0.73 2.21 -0.27 4.11 4.04 -1.26 -1.98 118.70 126.27 2ed9 s GLU 78 Ca -0.02 -1.10 -0.08 0.00 0.04 0.00 0.00 54.97 53.81 2ed9 s GLU 78 Cb -0.04 -2.30 0.13 0.00 0.02 0.00 0.00 34.13 31.94 2ed9 s GLU 78 CO -0.12 0.48 0.58 0.99 -1.84 0.00 0.00 175.26 175.34 2ed9 s THR 79 N -1.48 -0.90 -0.10 1.83 2.01 -0.28 -5.01 115.64 111.71 2ed9 s THR 79 Ca 0.24 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.26 2ed9 s THR 79 Cb -0.10 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 2ed9 s THR 79 CO 0.16 0.01 -0.02 -1.48 -0.69 0.00 0.00 174.62 172.60 2ed9 s LEU 80 N 2.81 3.43 -0.29 4.42 0.05 -1.26 -1.36 118.68 126.48 2ed9 s LEU 80 Ca -0.01 0.05 -0.01 0.00 0.05 0.00 0.00 54.13 54.21 2ed9 s LEU 80 Cb -0.13 -1.79 0.09 0.00 -2.05 0.00 0.00 46.19 42.32 2ed9 s LEU 80 CO -0.18 0.32 0.09 -0.70 -0.55 0.00 0.00 176.35 175.33 2ed9 s GLU 81 N -0.55 0.69 0.52 1.48 2.12 -1.25 -4.98 118.70 116.73 2ed9 s GLU 81 Ca 0.09 -0.94 0.31 0.00 0.36 0.00 0.00 54.97 54.79 2ed9 s GLU 81 Cb -0.12 -1.96 1.30 0.00 0.26 0.00 0.00 34.13 33.61 2ed9 s GLU 81 CO 0.02 -0.93 1.96 -1.00 -0.54 0.00 0.00 175.26 174.77 2ed9 h PRO 82 N 8.13 0.00 0.00 4.30 0.13 -1.93 -3.33 132.00 139.30 2ed9 h PRO 82 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2ed9 h PRO 82 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2ed9 h PRO 82 CO 0.45 0.07 0.00 0.09 -0.23 0.00 0.00 178.00 178.38 2ed9 n ASN 83 N -3.21 0.00 -4.40 1.44 4.13 -1.26 -4.80 115.26 107.16 2ed9 n ASN 83 Ca 0.00 0.96 -0.22 0.00 1.68 0.00 0.00 54.58 57.00 2ed9 n ASN 83 Cb 0.32 -0.46 -0.10 0.00 -1.54 0.00 0.00 39.78 38.00 2ed9 n ASN 83 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2ed9 s ASN 84 N -2.76 2.43 -0.03 6.41 -0.87 -1.25 -5.02 114.94 113.85 2ed9 s ASN 84 Ca 0.00 -1.44 0.03 0.00 -1.57 0.00 0.00 52.86 49.89 2ed9 s ASN 84 Cb 0.00 0.04 0.15 0.00 -0.02 0.00 0.00 41.25 41.43 2ed9 s ASN 84 CO 0.00 -0.67 0.88 0.18 -2.57 0.00 0.00 177.10 174.91 2ed9 n LEU 85 N -0.73 1.56 -3.98 0.60 4.77 -1.26 -4.81 117.00 113.14 2ed9 n LEU 85 Ca -0.03 -0.78 -0.09 0.00 -0.03 0.00 0.00 56.01 55.08 2ed9 n LEU 85 Cb 0.66 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 2ed9 n LEU 85 CO 0.41 0.28 -0.29 -1.66 -1.33 0.00 0.00 177.39 174.80 2ed9 s TRP 86 N -1.51 0.29 -0.08 -1.77 1.48 -1.26 -2.62 118.94 113.47 2ed9 s TRP 86 Ca 0.11 -0.65 -0.01 0.00 -1.06 0.00 0.00 56.10 54.49 2ed9 s TRP 86 Cb 0.07 -0.22 0.03 0.00 -1.16 0.00 0.00 33.47 32.19 2ed9 s TRP 86 CO 0.04 -0.32 -0.02 -0.47 -4.06 0.00 0.00 176.95 172.13 2ed9 s TYR 87 N -2.59 0.86 -0.45 1.66 6.14 -0.47 -4.99 117.35 117.51 2ed9 s TYR 87 Ca -0.05 -0.30 -0.17 0.00 0.64 0.00 0.00 57.07 57.19 2ed9 s TYR 87 Cb -0.01 -0.90 0.04 0.00 0.42 0.00 0.00 41.96 41.50 2ed9 s TYR 87 CO -0.05 -0.37 0.45 -1.17 0.64 0.00 0.00 175.55 175.05 2ed9 s LEU 88 N 1.90 5.09 0.15 6.97 1.98 -1.26 -2.76 118.68 130.75 2ed9 s LEU 88 Ca 0.05 -0.89 -0.14 0.00 -2.89 0.00 0.00 54.13 50.26 2ed9 s LEU 88 Cb -0.12 -2.32 -0.07 0.00 0.66 0.00 0.00 46.19 44.33 2ed9 s LEU 88 CO -0.06 -0.64 0.54 -0.36 -1.89 0.00 0.00 176.35 173.95 2ed9 s PHE 89 N 2.06 3.58 -0.01 5.38 0.08 -1.01 -4.97 117.98 123.10 2ed9 s PHE 89 Ca 0.10 1.03 0.01 0.00 0.12 0.00 0.00 56.93 58.18 2ed9 s PHE 89 Cb -0.19 -2.35 0.00 0.00 -0.57 0.00 0.00 43.02 39.91 2ed9 s PHE 89 CO 0.11 0.41 -0.03 0.95 -0.10 0.00 0.00 175.22 176.57 2ed9 s THR 90 N -1.51 0.24 0.00 0.64 -4.23 -1.26 -2.36 115.64 107.17 2ed9 s THR 90 Ca 0.39 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 2ed9 s THR 90 Cb -0.14 -0.22 0.00 0.00 1.34 0.00 0.00 72.50 73.48 2ed9 s THR 90 CO 0.19 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 2ed9 n GLY 91 N 3.14 0.50 3.83 3.99 0.00 0.34 -4.97 105.19 112.01 2ed9 n GLY 91 Ca -0.14 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 2ed9 n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ed9 s LEU 92 N -0.52 3.75 0.32 0.99 1.43 -0.55 -5.03 118.68 119.07 2ed9 s LEU 92 Ca 0.00 -0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 52.51 2ed9 s LEU 92 Cb 0.00 -2.30 -0.09 0.00 0.03 0.00 0.00 46.19 43.83 2ed9 s LEU 92 CO 0.00 -0.11 1.04 -1.61 0.23 0.00 0.00 176.35 175.90 2ed9 s GLU 93 N -3.88 4.51 0.59 1.70 2.02 -1.26 -4.28 118.70 118.10 2ed9 s GLU 93 Ca 0.35 1.61 -0.14 0.00 0.02 0.00 0.00 54.97 56.81 2ed9 s GLU 93 Cb -0.07 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.17 2ed9 s GLU 93 CO 0.25 0.14 1.03 -1.59 0.02 0.00 0.00 175.26 175.11 2ed9 s LYS 94 N -1.82 3.54 -1.23 1.61 -2.85 -1.25 -4.12 119.74 113.62 2ed9 s LYS 94 Ca 0.49 0.97 -0.34 0.00 -1.00 0.00 0.00 55.97 56.09 2ed9 s LYS 94 Cb -0.26 -2.07 0.05 0.00 -2.06 0.00 0.00 37.83 33.48 2ed9 s LYS 94 CO 0.34 -0.61 0.65 0.41 0.10 0.00 0.00 175.35 176.23 2ed9 n GLY 95 N -1.77 -0.80 3.15 0.59 0.00 -1.24 -4.95 105.19 100.17 2ed9 n GLY 95 Ca 0.07 0.32 -0.08 0.00 0.00 0.00 0.00 46.02 46.33 2ed9 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ed9 s SER 96 N -3.57 0.33 0.09 1.61 0.01 -1.26 -4.95 113.70 105.97 2ed9 s SER 96 Ca 0.48 -0.97 -0.16 0.00 1.31 0.00 0.00 55.95 56.61 2ed9 s SER 96 Cb -0.27 0.27 -0.07 0.00 0.21 0.00 0.00 66.02 66.17 2ed9 s SER 96 CO 0.98 -0.68 0.53 -1.58 0.41 0.00 0.00 173.24 172.90 2ed9 s GLN 97 N -3.94 4.05 -0.14 12.44 0.74 -1.26 -2.71 119.66 128.83 2ed9 s GLN 97 Ca 0.11 0.57 -0.05 0.00 0.05 0.00 0.00 55.36 56.04 2ed9 s GLN 97 Cb 0.07 -3.10 0.07 0.00 1.10 0.00 0.00 33.01 31.15 2ed9 s GLN 97 CO -0.07 0.58 0.30 0.71 -0.55 0.00 0.00 175.29 176.26 2ed9 s TYR 98 N -1.26 -0.49 -0.13 1.67 2.02 -1.10 -4.14 117.35 113.92 2ed9 s TYR 98 Ca 0.32 1.07 -0.04 0.00 -0.37 0.00 0.00 57.07 58.05 2ed9 s TYR 98 Cb -0.17 0.06 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 2ed9 s TYR 98 CO 0.18 -0.36 0.03 0.45 -1.57 0.00 0.00 175.55 174.28 2ed9 s SER 99 N 2.25 5.44 0.07 2.29 0.15 -1.22 -0.71 113.70 121.96 2ed9 s SER 99 Ca -0.01 0.13 0.07 0.00 0.70 0.00 0.00 55.95 56.84 2ed9 s SER 99 Cb -0.12 -1.73 -0.03 0.00 -1.71 0.00 0.00 66.02 62.43 2ed9 s SER 99 CO -0.10 0.30 -0.20 -0.36 1.20 0.00 0.00 173.24 174.08 2ed9 s PHE 100 N -0.38 1.76 0.00 3.44 0.08 -0.02 -3.01 117.98 119.85 2ed9 s PHE 100 Ca 0.08 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.74 2ed9 s PHE 100 Cb -0.12 -1.01 -0.00 0.00 -0.57 0.00 0.00 43.02 41.31 2ed9 s PHE 100 CO 0.02 0.13 -0.01 -1.14 -0.10 0.00 0.00 175.22 174.12 2ed9 s GLN 101 N -1.49 0.11 0.05 0.44 0.74 -0.26 -3.21 119.66 116.04 2ed9 s GLN 101 Ca 0.07 -0.11 0.08 0.00 0.05 0.00 0.00 55.36 55.44 2ed9 s GLN 101 Cb -0.09 -0.05 -0.03 0.00 1.10 0.00 0.00 33.01 33.94 2ed9 s GLN 101 CO 0.03 0.01 -0.22 0.08 -0.55 0.00 0.00 175.29 174.64 2ed9 s VAL 102 N -0.21 1.77 -0.06 1.34 1.01 -1.26 -0.78 120.40 122.21 2ed9 s VAL 102 Ca -0.02 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.65 2ed9 s VAL 102 Cb -0.02 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.85 2ed9 s VAL 102 CO -0.00 0.22 0.16 -0.94 0.00 0.00 0.00 175.10 174.53 2ed9 s SER 103 N -1.25 -0.16 0.03 3.32 1.04 -0.80 -2.92 113.70 112.96 2ed9 s SER 103 Ca 0.08 0.32 -0.27 0.00 0.48 0.00 0.00 55.95 56.57 2ed9 s SER 103 Cb -0.09 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 2ed9 s SER 103 CO 0.02 -0.07 0.83 0.00 0.98 0.00 0.00 173.24 175.00 2ed9 s ALA 104 N 0.30 3.30 -0.14 5.32 0.00 -1.26 -1.64 121.76 127.63 2ed9 s ALA 104 Ca -0.02 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.27 2ed9 s ALA 104 Cb -0.03 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 2ed9 s ALA 104 CO -0.01 -0.05 -0.05 -1.64 0.00 0.00 0.00 175.76 174.01 2ed9 s MET 105 N 0.34 3.52 0.25 0.00 -1.94 -1.15 0.11 119.30 120.44 2ed9 s MET 105 Ca 0.43 -0.54 0.10 0.00 -1.71 0.00 0.00 55.69 53.97 2ed9 s MET 105 Cb -0.21 -2.84 -0.05 0.00 2.01 0.00 0.00 34.83 33.75 2ed9 s MET 105 CO 0.24 0.30 -0.10 0.95 -0.01 0.00 0.00 175.02 176.40 2ed9 s THR 106 N 0.20 3.01 0.54 2.05 -4.23 -0.80 -1.79 115.64 114.61 2ed9 s THR 106 Ca -0.03 -2.03 0.49 0.00 -1.18 0.00 0.00 61.69 58.94 2ed9 s THR 106 Cb -0.14 -2.56 0.72 0.00 1.34 0.00 0.00 72.50 71.85 2ed9 s THR 106 CO 0.03 -0.31 1.53 0.55 -0.54 0.00 0.00 174.62 175.88 2ed9 n VAL 107 N -0.53 -0.01 0.00 2.29 3.14 -0.89 -1.56 118.33 120.77 2ed9 n VAL 107 Ca -0.07 1.48 0.00 0.00 -2.96 0.00 0.00 64.34 62.78 2ed9 n VAL 107 Cb 0.58 -2.46 0.00 0.00 -1.06 0.00 0.00 33.84 30.90 2ed9 n VAL 107 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2ed9 n ASN 108 N -3.92 0.00 0.00 6.55 3.02 -1.26 -5.05 115.26 114.60 2ed9 n ASN 108 Ca 0.44 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 2ed9 n ASN 108 Cb 1.96 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 40.85 2ed9 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ed9 n GLY 109 N 0.73 4.27 3.07 7.41 0.00 -0.60 -5.04 105.19 115.02 2ed9 n GLY 109 Ca 0.00 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 2ed9 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ed9 s THR 110 N 2.83 1.82 0.98 2.61 2.01 -1.26 -1.91 115.64 122.73 2ed9 s THR 110 Ca 0.00 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 2ed9 s THR 110 Cb 0.00 -1.69 0.18 0.00 0.01 0.00 0.00 72.50 71.00 2ed9 s THR 110 CO 0.00 0.47 1.08 -0.83 -0.69 0.00 0.00 174.62 174.66 2ed9 s GLY 111 N 1.38 1.61 0.36 4.40 0.00 0.31 -4.86 107.32 110.52 2ed9 s GLY 111 Ca 0.04 0.07 -0.27 0.00 0.00 0.00 0.00 44.72 44.56 2ed9 s GLY 111 CO -0.12 0.61 1.21 2.56 0.00 0.00 0.00 173.10 177.36 2ed9 s PRO 112 N -4.72 4.22 0.65 2.90 0.04 -1.26 -4.45 135.00 132.38 2ed9 s PRO 112 Ca 0.66 1.96 -0.11 0.00 0.04 0.00 0.00 61.00 63.55 2ed9 s PRO 112 Cb -0.21 -2.87 0.16 0.00 0.04 0.00 0.00 34.50 31.62 2ed9 s PRO 112 CO 0.59 -0.21 0.58 -0.35 0.04 0.00 0.00 177.00 177.65 2ed9 n PRO 113 N 0.46 -2.16 -4.66 0.56 -0.04 -1.26 -4.48 135.00 123.42 2ed9 n PRO 113 Ca 0.02 -0.92 -0.30 0.00 -0.04 0.00 0.00 63.50 62.26 2ed9 n PRO 113 Cb 0.45 -0.87 -0.10 0.00 -0.04 0.00 0.00 33.50 32.94 2ed9 n PRO 113 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ed9 s SER 114 N -3.06 3.92 0.13 3.54 1.04 -1.15 -4.70 113.70 113.43 2ed9 s SER 114 Ca 0.37 -1.47 -0.33 0.00 0.48 0.00 0.00 55.95 55.01 2ed9 s SER 114 Cb -0.04 -0.07 -0.18 0.00 0.10 0.00 0.00 66.02 65.84 2ed9 s SER 114 CO 0.29 -0.60 0.82 0.59 0.98 0.00 0.00 173.24 175.32 2ed9 n ASN 115 N -1.07 -0.37 -4.56 7.02 3.02 -1.26 -4.71 115.26 113.33 2ed9 n ASN 115 Ca -0.10 1.14 -0.24 0.00 -0.03 0.00 0.00 54.58 55.36 2ed9 n ASN 115 Cb 0.67 -0.99 -0.05 0.00 -0.61 0.00 0.00 39.78 38.80 2ed9 n ASN 115 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2ed9 s TRP 116 N -0.55 1.61 0.27 3.10 0.52 -1.26 -4.90 118.94 117.73 2ed9 s TRP 116 Ca 0.74 1.02 -0.29 0.00 0.02 0.00 0.00 56.10 57.60 2ed9 s TRP 116 Cb -1.03 -3.87 -0.09 0.00 -1.15 0.00 0.00 33.47 27.33 2ed9 s TRP 116 CO 0.56 -1.73 0.96 0.71 0.02 0.00 0.00 176.95 177.47 2ed9 s TYR 117 N 11.37 3.85 0.05 -1.98 2.02 -1.20 -4.93 117.35 126.54 2ed9 s TYR 117 Ca 0.76 1.85 0.07 0.00 -0.37 0.00 0.00 57.07 59.39 2ed9 s TYR 117 Cb -0.09 -3.00 -0.03 0.00 -0.40 0.00 0.00 41.96 38.45 2ed9 s TYR 117 CO 0.03 0.27 -0.19 0.99 -1.57 0.00 0.00 175.55 175.08 2ed9 s THR 118 N -1.31 1.50 -0.03 -0.71 2.01 -1.26 -0.84 115.64 115.00 2ed9 s THR 118 Ca 0.44 -1.19 0.01 0.00 0.31 0.00 0.00 61.69 61.26 2ed9 s THR 118 Cb -0.24 -1.33 0.02 0.00 0.01 0.00 0.00 72.50 70.96 2ed9 s THR 118 CO 0.30 0.10 -0.04 0.00 -0.69 0.00 0.00 174.62 174.29 2ed9 s ALA 119 N -0.88 0.55 -0.07 7.40 0.00 0.11 -4.99 121.76 123.89 2ed9 s ALA 119 Ca 0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.85 2ed9 s ALA 119 Cb -0.09 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 2ed9 s ALA 119 CO 0.02 0.01 0.33 -1.21 0.00 0.00 0.00 175.76 174.91 2ed9 s GLU 120 N 0.73 3.93 0.28 0.00 0.41 -1.26 -2.71 118.70 120.08 2ed9 s GLU 120 Ca -0.09 0.24 -0.18 0.00 -0.41 0.00 0.00 54.97 54.53 2ed9 s GLU 120 Cb -0.12 -3.28 -0.09 0.00 -1.78 0.00 0.00 34.13 28.87 2ed9 s GLU 120 CO -0.00 0.57 0.75 0.95 -0.49 0.00 0.00 175.26 177.03 2ed9 s THR 121 N -0.60 4.61 -0.26 3.63 -4.23 -1.10 -4.99 115.64 112.70 2ed9 s THR 121 Ca 0.20 1.14 -0.29 0.00 -1.18 0.00 0.00 61.69 61.57 2ed9 s THR 121 Cb -0.15 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 69.94 2ed9 s THR 121 CO 0.09 -0.01 1.64 -2.16 -0.54 0.00 0.00 174.62 173.64 2ed9 s PRO 122 N -2.53 3.67 0.46 3.99 0.04 -1.26 -3.64 135.00 135.73 2ed9 s PRO 122 Ca 0.50 1.55 0.33 0.00 0.04 0.00 0.00 61.00 63.42 2ed9 s PRO 122 Cb -0.13 -4.07 1.47 0.00 0.04 0.00 0.00 34.50 31.81 2ed9 s PRO 122 CO 0.19 -1.45 1.62 0.93 0.04 0.00 0.00 177.00 178.33 2ed9 h GLU 123 N 11.22 0.06 0.00 4.56 5.08 -1.94 -3.37 114.58 130.20 2ed9 h GLU 123 Ca -0.33 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2ed9 h GLU 123 Cb 1.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2ed9 h GLU 123 CO 1.01 0.04 0.00 0.27 -1.00 0.00 0.00 179.01 179.34