#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 2.19 0.07 1.61 0.15 -1.26 -5.14 113.70 111.32 2ed9 s SER 2 Ca 0.00 -0.39 -0.27 0.00 0.70 0.00 0.00 55.95 55.99 2ed9 s SER 2 Cb 0.00 -0.22 0.09 0.00 -1.71 0.00 0.00 66.02 64.18 2ed9 s SER 2 CO 0.00 0.19 0.93 -0.55 1.20 0.00 0.00 173.24 175.01 2ed9 s SER 3 N -0.67 -0.27 -0.03 5.45 0.15 -1.26 -5.12 113.70 111.95 2ed9 s SER 3 Ca 0.07 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.24 2ed9 s SER 3 Cb -0.08 0.43 -0.07 0.00 -1.71 0.00 0.00 66.02 64.59 2ed9 s SER 3 CO 0.00 -0.74 1.91 -0.83 1.20 0.00 0.00 173.24 174.78 2ed9 s GLY 4 N -2.70 1.33 0.11 9.45 0.00 -1.26 -4.89 107.32 109.36 2ed9 s GLY 4 Ca 0.08 1.12 -0.25 0.00 0.00 0.00 0.00 44.72 45.67 2ed9 s GLY 4 CO -0.04 3.40 1.42 0.23 0.00 0.00 0.00 173.10 178.11 2ed9 h SER 5 N 10.96 -1.56 -2.55 1.64 0.87 -2.04 -3.44 113.55 117.43 2ed9 h SER 5 Ca -0.45 0.22 0.12 0.00 -1.23 0.00 0.00 61.79 60.45 2ed9 h SER 5 Cb 1.22 0.66 -0.28 0.00 -0.44 0.00 0.00 62.40 63.56 2ed9 h SER 5 CO 0.95 -0.26 0.50 -0.55 -0.53 0.00 0.00 176.83 176.94 2ed9 s SER 6 N -4.71 -0.39 -0.04 6.23 0.15 -1.26 -5.17 113.70 108.51 2ed9 s SER 6 Ca -0.10 0.65 0.04 0.00 0.70 0.00 0.00 55.95 57.24 2ed9 s SER 6 Cb 0.07 1.03 -0.00 0.00 -1.71 0.00 0.00 66.02 65.41 2ed9 s SER 6 CO 0.48 -0.11 -0.16 -0.83 1.20 0.00 0.00 173.24 173.82 2ed9 s GLY 7 N 0.98 0.87 0.10 9.45 0.00 -1.26 -5.14 107.32 112.31 2ed9 s GLY 7 Ca -0.05 -0.64 0.07 0.00 0.00 0.00 0.00 44.72 44.09 2ed9 s GLY 7 CO -0.13 -0.31 -0.18 -1.31 0.00 0.00 0.00 173.10 171.17 2ed9 s ASN 8 N 0.07 2.18 -0.29 1.64 0.01 -1.26 -5.14 114.94 112.15 2ed9 s ASN 8 Ca -0.04 -0.68 -0.25 0.00 -0.71 0.00 0.00 52.86 51.18 2ed9 s ASN 8 Cb -0.11 -0.10 0.17 0.00 0.41 0.00 0.00 41.25 41.62 2ed9 s ASN 8 CO 0.02 -0.01 1.30 -0.60 -1.51 0.00 0.00 177.10 176.30 2ed9 s ARG 9 N -1.95 0.21 -0.07 -0.60 3.00 -1.26 -5.17 118.95 113.11 2ed9 s ARG 9 Ca 0.04 0.23 0.01 0.00 -1.00 0.00 0.00 55.73 55.01 2ed9 s ARG 9 Cb -0.09 0.10 -0.03 0.00 0.00 0.00 0.00 34.95 34.93 2ed9 s ARG 9 CO 0.04 -0.03 -0.07 1.52 0.00 0.00 0.00 175.30 176.75 2ed9 s TYR 10 N -0.01 2.93 0.00 5.12 -0.85 -1.26 -4.97 117.35 118.32 2ed9 s TYR 10 Ca 0.06 -0.00 0.00 0.00 -0.52 0.00 0.00 57.07 56.61 2ed9 s TYR 10 Cb -0.05 -1.72 0.00 0.00 0.38 0.00 0.00 41.96 40.58 2ed9 s TYR 10 CO -0.12 0.31 0.00 0.41 -1.52 0.00 0.00 175.55 174.63 2ed9 n GLY 11 N 2.28 1.82 3.71 5.49 0.00 -1.26 -5.13 105.19 112.09 2ed9 n GLY 11 Ca -0.18 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 2ed9 n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ed9 s PRO 12 N -0.35 1.01 0.00 1.61 0.04 -1.26 -5.05 135.00 131.00 2ed9 s PRO 12 Ca 0.00 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2ed9 s PRO 12 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2ed9 s PRO 12 CO 0.00 -2.39 0.00 0.41 0.04 0.00 0.00 177.00 175.06 2ed9 n GLY 13 N -1.12 1.03 3.66 0.56 0.00 -1.26 -5.14 105.19 102.92 2ed9 n GLY 13 Ca 0.06 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 2ed9 n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ed9 s VAL 14 N -2.00 4.48 0.09 1.61 1.01 -1.26 -5.10 120.40 119.23 2ed9 s VAL 14 Ca 0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 2ed9 s VAL 14 Cb 0.00 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.47 2ed9 s VAL 14 CO 0.00 0.55 0.39 -0.55 0.00 0.00 0.00 175.10 175.49 2ed9 s SER 15 N -0.36 -0.23 0.49 3.32 0.15 -1.26 -5.17 113.70 110.65 2ed9 s SER 15 Ca 0.08 -0.21 -0.14 0.00 0.70 0.00 0.00 55.95 56.38 2ed9 s SER 15 Cb -0.12 0.44 -0.07 0.00 -1.71 0.00 0.00 66.02 64.56 2ed9 s SER 15 CO 0.02 -0.77 0.92 0.28 1.20 0.00 0.00 173.24 174.89 2ed9 s THR 16 N -3.26 4.64 0.52 6.45 -1.32 -1.26 -5.09 115.64 116.32 2ed9 s THR 16 Ca -0.00 0.96 0.04 0.00 -1.21 0.00 0.00 61.69 61.48 2ed9 s THR 16 Cb 0.01 -3.74 0.01 0.00 -1.51 0.00 0.00 72.50 67.27 2ed9 s THR 16 CO -0.08 -0.69 0.25 1.51 -2.21 0.00 0.00 174.62 173.40 2ed9 s ASP 17 N -3.25 4.45 0.32 8.08 1.47 -1.26 -5.16 116.67 121.32 2ed9 s ASP 17 Ca 0.56 -1.37 0.06 0.00 1.18 0.00 0.00 52.55 52.99 2ed9 s ASP 17 Cb -0.10 0.37 -0.03 0.00 -0.34 0.00 0.00 42.92 42.82 2ed9 s ASP 17 CO 0.34 -0.97 0.27 -0.62 0.68 0.00 0.00 175.17 174.87 2ed9 s ASP 18 N -4.11 1.53 0.47 2.11 -1.08 -1.26 -5.17 116.67 109.15 2ed9 s ASP 18 Ca 0.25 -1.72 0.01 0.00 -0.52 0.00 0.00 52.55 50.57 2ed9 s ASP 18 Cb -0.00 0.54 0.01 0.00 -1.46 0.00 0.00 42.92 42.00 2ed9 s ASP 18 CO 0.15 -1.05 0.69 0.27 0.52 0.00 0.00 175.17 175.75 2ed9 s ILE 19 N -3.50 3.68 0.45 4.11 -4.36 -1.26 -5.12 121.20 115.20 2ed9 s ILE 19 Ca 0.40 -0.56 0.05 0.00 -0.26 0.00 0.00 60.65 60.29 2ed9 s ILE 19 Cb 0.03 -3.36 -0.04 0.00 1.25 0.00 0.00 42.46 40.34 2ed9 s ILE 19 CO 0.26 -0.25 0.13 0.42 0.24 0.00 0.00 174.94 175.74 2ed9 s THR 20 N -2.59 1.86 -0.08 8.37 -4.23 -1.26 -5.16 115.64 112.56 2ed9 s THR 20 Ca 0.50 -1.82 -0.14 0.00 -1.18 0.00 0.00 61.69 59.06 2ed9 s THR 20 Cb -0.10 -2.67 0.03 0.00 1.34 0.00 0.00 72.50 71.10 2ed9 s THR 20 CO 0.38 0.00 0.34 0.54 -0.54 0.00 0.00 174.62 175.34 2ed9 s VAL 21 N -2.72 0.03 -0.83 2.29 0.11 -1.26 -5.06 120.40 112.96 2ed9 s VAL 21 Ca 0.30 -0.22 -0.02 0.00 -2.93 0.00 0.00 61.98 59.11 2ed9 s VAL 21 Cb 0.04 -0.56 0.36 0.00 -1.53 0.00 0.00 36.38 34.69 2ed9 s VAL 21 CO 0.16 -0.12 2.02 1.33 -3.33 0.00 0.00 175.10 175.16 2ed9 n VAL 22 N 2.10 3.58 -3.78 2.04 0.24 -1.26 -4.97 118.33 116.28 2ed9 n VAL 22 Ca -0.17 -4.19 -0.22 0.00 -2.04 0.00 0.00 64.34 57.72 2ed9 n VAL 22 Cb 0.57 -1.23 -0.05 0.00 -1.47 0.00 0.00 33.84 31.66 2ed9 n VAL 22 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2ed9 s THR 23 N -5.06 2.66 -0.06 3.34 -4.23 -1.26 -5.14 115.64 105.89 2ed9 s THR 23 Ca 0.53 -1.47 -0.00 0.00 -1.18 0.00 0.00 61.69 59.57 2ed9 s THR 23 Cb 0.45 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 71.30 2ed9 s THR 23 CO -0.38 -0.03 -0.02 -0.76 -0.54 0.00 0.00 174.62 172.89 2ed9 s LEU 24 N -4.03 0.96 0.20 4.79 1.43 -1.26 -5.15 118.68 115.62 2ed9 s LEU 24 Ca 0.45 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.48 2ed9 s LEU 24 Cb -0.01 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.70 2ed9 s LEU 24 CO 0.26 -0.13 -0.06 -0.94 0.23 0.00 0.00 176.35 175.71 2ed9 s SER 25 N 1.48 1.99 0.07 2.29 1.04 -1.26 -5.06 113.70 114.24 2ed9 s SER 25 Ca -0.02 -1.13 -0.16 0.00 0.48 0.00 0.00 55.95 55.12 2ed9 s SER 25 Cb -0.13 -0.03 -0.14 0.00 0.10 0.00 0.00 66.02 65.82 2ed9 s SER 25 CO -0.03 -0.40 1.32 0.44 0.98 0.00 0.00 173.24 175.55 2ed9 h ASP 26 N 2.57 0.68 -1.68 7.02 5.19 -2.01 -3.46 116.42 124.73 2ed9 h ASP 26 Ca -0.38 -0.56 -0.50 0.00 -0.62 0.00 0.00 57.03 54.98 2ed9 h ASP 26 Cb 1.21 -0.20 0.16 0.00 0.18 0.00 0.00 39.33 40.69 2ed9 h ASP 26 CO 0.64 1.12 -1.09 1.33 -3.12 0.00 0.00 179.24 178.12 2ed9 n VAL 27 N -4.25 0.00 -1.20 -1.35 0.24 -1.26 -4.75 118.33 105.76 2ed9 n VAL 27 Ca -0.06 -0.42 -0.30 0.00 -2.04 0.00 0.00 64.34 61.52 2ed9 n VAL 27 Cb 0.54 0.00 0.14 0.00 -1.47 0.00 0.00 33.84 33.05 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 -1.01 1.15 0.00 7.34 0.04 -1.26 -5.01 135.00 136.24 2ed9 s PRO 28 Ca 0.45 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.27 2ed9 s PRO 28 Cb -0.37 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2ed9 s PRO 28 CO 0.58 -2.31 0.00 0.43 0.04 0.00 0.00 177.00 175.75 2ed9 n SER 29 N -3.92 4.52 -4.78 6.66 7.64 -1.26 -4.35 113.62 118.13 2ed9 n SER 29 Ca 0.07 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.56 2ed9 n SER 29 Cb 0.55 0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 63.98 2ed9 n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ed9 s ALA 30 N -1.99 3.52 0.99 -0.43 0.00 -1.26 -4.83 121.76 117.76 2ed9 s ALA 30 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 2ed9 s ALA 30 Cb 0.00 -2.71 0.18 0.00 0.00 0.00 0.00 23.12 20.59 2ed9 s ALA 30 CO 0.00 0.25 1.09 -1.25 0.00 0.00 0.00 175.76 175.85 2ed9 s PRO 31 N -0.52 0.50 0.99 0.00 0.04 -1.26 -4.80 135.00 129.94 2ed9 s PRO 31 Ca 0.30 0.55 -0.12 0.00 0.04 0.00 0.00 61.00 61.78 2ed9 s PRO 31 Cb -0.19 -1.74 0.18 0.00 0.04 0.00 0.00 34.50 32.79 2ed9 s PRO 31 CO 0.18 -2.69 1.09 -1.25 0.04 0.00 0.00 177.00 174.37 2ed9 s PRO 32 N -4.96 0.50 0.44 0.56 0.04 -1.26 -4.79 135.00 125.54 2ed9 s PRO 32 Ca 0.65 0.55 0.06 0.00 0.04 0.00 0.00 61.00 62.30 2ed9 s PRO 32 Cb -0.19 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 2ed9 s PRO 32 CO 0.58 -2.69 0.05 -0.65 0.04 0.00 0.00 177.00 174.33 2ed9 s GLN 33 N -4.96 2.08 -1.58 4.56 1.11 -1.13 -4.74 119.66 114.99 2ed9 s GLN 33 Ca 0.65 -2.14 -0.14 0.00 0.01 0.00 0.00 55.36 53.75 2ed9 s GLN 33 Cb -0.19 -1.69 0.10 0.00 -1.01 0.00 0.00 33.01 30.23 2ed9 s GLN 33 CO 0.58 -0.16 0.82 0.09 0.01 0.00 0.00 175.29 176.62 2ed9 n ASN 34 N -1.12 -3.44 -4.43 5.90 3.02 -1.26 -1.36 115.26 112.56 2ed9 n ASN 34 Ca -0.08 -0.91 -0.44 0.00 -0.03 0.00 0.00 54.58 53.12 2ed9 n ASN 34 Cb 0.66 -3.29 -0.01 0.00 -0.61 0.00 0.00 39.78 36.53 2ed9 n ASN 34 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ed9 s VAL 35 N -3.39 5.16 0.09 2.41 1.01 -1.26 -3.84 120.40 120.58 2ed9 s VAL 35 Ca 0.59 -2.50 0.07 0.00 0.00 0.00 0.00 61.98 60.13 2ed9 s VAL 35 Cb -0.31 -4.80 -0.03 0.00 0.00 0.00 0.00 36.38 31.24 2ed9 s VAL 35 CO 0.88 -1.48 -0.18 -0.44 0.00 0.00 0.00 175.10 173.87 2ed9 s SER 36 N 2.73 2.19 -0.14 3.32 0.01 -1.25 -5.00 113.70 115.56 2ed9 s SER 36 Ca 0.37 -0.66 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 2ed9 s SER 36 Cb -0.05 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 2ed9 s SER 36 CO -0.04 0.01 -0.05 -0.76 0.41 0.00 0.00 173.24 172.81 2ed9 s LEU 37 N -1.83 3.21 0.05 2.44 1.43 -1.26 -3.57 118.68 119.16 2ed9 s LEU 37 Ca 0.03 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2ed9 s LEU 37 Cb -0.10 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2ed9 s LEU 37 CO 0.03 0.21 0.06 -0.70 0.23 0.00 0.00 176.35 176.19 2ed9 s GLU 38 N 0.10 2.88 -0.47 1.70 2.12 -0.19 -5.03 118.70 119.80 2ed9 s GLU 38 Ca -0.01 -0.65 -0.09 0.00 0.36 0.00 0.00 54.97 54.58 2ed9 s GLU 38 Cb -0.14 -2.73 0.12 0.00 0.26 0.00 0.00 34.13 31.64 2ed9 s GLU 38 CO 0.03 0.59 0.34 0.08 -0.54 0.00 0.00 175.26 175.76 2ed9 s VAL 39 N -1.31 4.19 -0.12 3.70 1.01 -1.26 -2.05 120.40 124.56 2ed9 s VAL 39 Ca 0.26 -1.79 -0.25 0.00 0.00 0.00 0.00 61.98 60.20 2ed9 s VAL 39 Cb -0.12 -3.76 -0.27 0.00 0.00 0.00 0.00 36.38 32.23 2ed9 s VAL 39 CO 0.19 -0.77 0.74 0.58 0.00 0.00 0.00 175.10 175.83 2ed9 h VAL 40 N 6.14 1.58 -3.44 2.92 2.07 -1.93 -3.49 116.25 120.10 2ed9 h VAL 40 Ca -0.21 -2.39 -0.21 0.00 0.82 0.00 0.00 66.70 64.71 2ed9 h VAL 40 Cb 1.07 3.18 -0.05 0.00 -1.52 0.00 0.00 31.29 33.97 2ed9 h VAL 40 CO 0.86 0.62 -0.14 0.59 0.02 0.00 0.00 177.57 179.52 2ed9 n ASN 41 N -4.40 -0.81 0.19 0.57 3.02 -1.03 -5.00 115.26 107.79 2ed9 n ASN 41 Ca -0.14 -2.29 0.12 0.00 -0.03 0.00 0.00 54.58 52.23 2ed9 n ASN 41 Cb 0.63 1.56 0.12 0.00 -0.61 0.00 0.00 39.78 41.48 2ed9 n ASN 41 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2ed9 h SER 42 N 1.31 0.00 0.00 6.41 4.64 -1.94 -3.32 113.55 120.66 2ed9 h SER 42 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2ed9 h SER 42 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2ed9 h SER 42 CO 0.24 0.01 -1.42 0.54 -0.87 0.00 0.00 176.83 175.33 2ed9 n ARG 43 N -2.98 0.63 -4.38 4.77 1.74 -1.26 -4.11 116.66 111.07 2ed9 n ARG 43 Ca 0.03 -0.09 -0.26 0.00 -0.77 0.00 0.00 57.85 56.76 2ed9 n ARG 43 Cb 0.54 -1.24 -0.10 0.00 -1.02 0.00 0.00 32.46 30.63 2ed9 n ARG 43 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2ed9 s SER 44 N -3.18 3.84 -0.15 0.55 0.01 -1.25 -0.95 113.70 112.57 2ed9 s SER 44 Ca -0.03 -0.78 -0.11 0.00 1.31 0.00 0.00 55.95 56.34 2ed9 s SER 44 Cb 0.07 -0.47 0.05 0.00 0.21 0.00 0.00 66.02 65.88 2ed9 s SER 44 CO 0.47 0.09 0.38 -0.63 0.41 0.00 0.00 173.24 173.95 2ed9 s ILE 45 N -1.90 -0.01 -0.15 1.44 1.01 -0.89 -2.47 121.20 118.23 2ed9 s ILE 45 Ca 0.25 0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.85 2ed9 s ILE 45 Cb -0.07 -0.54 -0.05 0.00 0.01 0.00 0.00 42.46 41.81 2ed9 s ILE 45 CO 0.13 0.02 0.17 -0.75 0.00 0.00 0.00 174.94 174.52 2ed9 s LYS 46 N 0.73 3.89 -0.12 2.79 2.47 -0.87 -2.27 119.74 126.35 2ed9 s LYS 46 Ca -0.04 -0.10 -0.01 0.00 -1.56 0.00 0.00 55.97 54.25 2ed9 s LYS 46 Cb -0.05 -3.32 0.03 0.00 -1.46 0.00 0.00 37.83 33.03 2ed9 s LYS 46 CO -0.05 0.50 -0.03 0.08 0.16 0.00 0.00 175.35 176.01 2ed9 s VAL 47 N -0.25 0.80 0.44 4.02 1.01 -1.17 -1.02 120.40 124.22 2ed9 s VAL 47 Ca 0.13 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.86 2ed9 s VAL 47 Cb -0.12 -0.96 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 2ed9 s VAL 47 CO 0.02 0.20 0.02 -0.94 0.00 0.00 0.00 175.10 174.40 2ed9 s SER 48 N 1.78 3.81 0.03 3.32 1.04 -1.23 -1.88 113.70 120.57 2ed9 s SER 48 Ca 0.03 -1.47 -0.29 0.00 0.48 0.00 0.00 55.95 54.70 2ed9 s SER 48 Cb -0.14 -0.06 0.11 0.00 0.10 0.00 0.00 66.02 66.03 2ed9 s SER 48 CO -0.07 -0.60 1.21 -1.66 0.98 0.00 0.00 173.24 173.09 2ed9 s TRP 49 N -2.82 -0.06 0.10 5.02 -2.14 -1.16 -3.92 118.94 113.95 2ed9 s TRP 49 Ca 0.26 -0.09 0.05 0.00 2.66 0.00 0.00 56.10 58.97 2ed9 s TRP 49 Cb 0.07 0.57 -0.03 0.00 -3.10 0.00 0.00 33.47 30.98 2ed9 s TRP 49 CO 0.13 -0.41 -0.12 -0.51 -2.66 0.00 0.00 176.95 173.38 2ed9 s LEU 50 N -2.98 2.37 0.77 -4.66 1.43 -0.47 -4.89 118.68 110.26 2ed9 s LEU 50 Ca 0.14 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 2ed9 s LEU 50 Cb 0.03 -0.43 0.05 0.00 0.03 0.00 0.00 46.19 45.88 2ed9 s LEU 50 CO -0.02 -0.18 1.09 -2.16 0.23 0.00 0.00 176.35 175.31 2ed9 s PRO 51 N -2.49 2.28 0.77 1.29 0.04 -1.26 -2.86 135.00 132.78 2ed9 s PRO 51 Ca 0.05 1.18 -0.10 0.00 0.04 0.00 0.00 61.00 62.17 2ed9 s PRO 51 Cb -0.05 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.65 2ed9 s PRO 51 CO 0.02 -1.63 1.09 -1.25 0.04 0.00 0.00 177.00 175.27 2ed9 s PRO 52 N -4.85 2.24 0.39 0.56 0.04 -1.26 -4.42 135.00 127.70 2ed9 s PRO 52 Ca 0.62 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 62.56 2ed9 s PRO 52 Cb -0.17 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 2ed9 s PRO 52 CO 0.55 -1.65 1.19 -1.25 0.04 0.00 0.00 177.00 175.88 2ed9 s PRO 53 N -4.90 4.08 0.24 0.56 0.04 -1.26 -4.86 135.00 128.90 2ed9 s PRO 53 Ca 0.61 1.90 0.08 0.00 0.04 0.00 0.00 61.00 63.63 2ed9 s PRO 53 Cb -0.17 -2.73 0.75 0.00 0.04 0.00 0.00 34.50 32.40 2ed9 s PRO 53 CO 0.56 -0.32 1.13 0.45 0.04 0.00 0.00 177.00 178.86 2ed9 n SER 54 N 0.16 0.08 -0.28 6.66 2.88 -1.26 0.09 113.62 121.96 2ed9 n SER 54 Ca 0.04 1.20 0.06 0.00 -1.33 0.00 0.00 58.87 58.84 2ed9 n SER 54 Cb 0.46 -0.51 0.13 0.00 -0.75 0.00 0.00 64.21 63.53 2ed9 n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ed9 n GLY 55 N -1.27 -1.26 2.63 0.46 0.00 -1.26 0.05 105.19 104.54 2ed9 n GLY 55 Ca 0.22 0.81 -0.31 0.00 0.00 0.00 0.00 46.02 46.75 2ed9 n GLY 55 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ed9 n THR 56 N -5.23 2.87 -2.11 2.61 5.66 0.11 -4.74 114.28 113.45 2ed9 n THR 56 Ca 0.13 -4.89 -0.24 0.00 -3.05 0.00 0.00 64.05 56.00 2ed9 n THR 56 Cb 0.42 -1.29 0.02 0.00 -1.55 0.00 0.00 70.33 67.93 2ed9 n THR 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ed9 n GLN 57 N -0.46 3.56 -0.35 1.09 6.02 0.11 -4.79 117.38 122.56 2ed9 n GLN 57 Ca 0.42 -4.23 -0.02 0.00 -0.01 0.00 0.00 57.00 53.16 2ed9 n GLN 57 Cb 0.52 -2.27 0.10 0.00 1.02 0.00 0.00 30.24 29.61 2ed9 n GLN 57 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 2ed9 h ASN 58 N 2.26 1.07 -2.74 1.08 -1.07 -1.85 -3.42 115.58 110.90 2ed9 h ASN 58 Ca 0.35 -0.03 -0.65 0.00 0.07 0.00 0.00 56.30 56.04 2ed9 h ASN 58 Cb 1.42 -0.26 -0.06 0.00 -2.07 0.00 0.00 38.32 37.35 2ed9 h ASN 58 CO 0.77 0.77 -0.49 -0.83 0.07 0.00 0.00 177.43 177.72 2ed9 s GLY 59 N -3.06 2.16 -0.21 9.14 0.00 -1.26 -5.05 107.32 109.03 2ed9 s GLY 59 Ca -0.13 -0.71 -0.29 0.00 0.00 0.00 0.00 44.72 43.59 2ed9 s GLY 59 CO 0.81 -0.52 1.49 -0.12 0.00 0.00 0.00 173.10 174.75 2ed9 s PHE 60 N -1.17 2.35 0.27 1.90 5.36 -1.26 -4.68 117.98 120.75 2ed9 s PHE 60 Ca 0.21 0.66 -0.31 0.00 -0.96 0.00 0.00 56.93 56.53 2ed9 s PHE 60 Cb -0.12 -3.88 -0.12 0.00 -0.34 0.00 0.00 43.02 38.56 2ed9 s PHE 60 CO 0.11 -2.55 1.63 -0.89 -1.46 0.00 0.00 175.22 172.06 2ed9 n ILE 61 N 6.09 0.78 0.00 3.12 5.41 -1.26 -3.06 119.36 130.43 2ed9 n ILE 61 Ca 0.17 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.72 2ed9 n ILE 61 Cb 0.45 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.41 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 2.58 0.00 -3.39 1.39 -2.24 -1.15 -4.99 114.28 106.48 2ed9 n THR 62 Ca 0.10 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 2ed9 n THR 62 Cb 0.36 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 3.42 2.29 2.97 3.38 0.00 -1.26 -4.97 105.19 111.03 2ed9 n GLY 63 Ca 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 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 -6.23 0.29 -0.30 1.61 1.51 -1.26 -2.27 117.35 110.71 2ed9 s TYR 64 Ca 0.05 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.64 2ed9 s TYR 64 Cb -0.01 -0.20 0.01 0.00 -0.11 0.00 0.00 41.96 41.66 2ed9 s TYR 64 CO 0.03 -0.13 0.07 0.21 -1.11 0.00 0.00 175.55 174.63 2ed9 s LYS 65 N -1.14 3.01 -0.20 -0.62 2.20 -0.99 -3.95 119.74 118.05 2ed9 s LYS 65 Ca -0.11 -0.91 -0.09 0.00 -0.36 0.00 0.00 55.97 54.50 2ed9 s LYS 65 Cb -0.08 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 2ed9 s LYS 65 CO -0.01 -0.47 0.10 0.42 -0.36 0.00 0.00 175.35 175.04 2ed9 s ILE 66 N 1.47 5.13 -0.24 5.43 1.01 0.14 -2.84 121.20 131.30 2ed9 s ILE 66 Ca 0.02 0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.77 2ed9 s ILE 66 Cb -0.17 -3.34 0.04 0.00 0.01 0.00 0.00 42.46 39.00 2ed9 s ILE 66 CO 0.02 0.44 -0.11 -0.13 0.00 0.00 0.00 174.94 175.15 2ed9 s ARG 67 N 0.45 2.52 -0.22 2.79 1.81 -1.02 -0.94 118.95 124.35 2ed9 s ARG 67 Ca 0.06 -1.16 -0.03 0.00 -1.72 0.00 0.00 55.73 52.87 2ed9 s ARG 67 Cb -0.12 -2.85 -0.00 0.00 -0.45 0.00 0.00 34.95 31.53 2ed9 s ARG 67 CO -0.00 -0.46 -0.06 -3.38 -0.68 0.00 0.00 175.30 170.72 2ed9 s HIS 68 N 1.19 2.96 0.11 -0.53 -3.43 -1.14 -2.32 115.29 112.13 2ed9 s HIS 68 Ca -0.04 -1.08 0.10 0.00 -0.80 0.00 0.00 55.06 53.25 2ed9 s HIS 68 Cb -0.18 -2.09 -0.04 0.00 -1.43 0.00 0.00 32.58 28.85 2ed9 s HIS 68 CO -0.06 -0.60 -0.25 0.50 -2.00 0.00 0.00 174.74 172.33 2ed9 s ARG 69 N 1.44 1.38 0.09 -0.38 3.52 -0.64 -2.90 118.95 121.46 2ed9 s ARG 69 Ca 0.05 -1.27 0.04 0.00 -0.13 0.00 0.00 55.73 54.42 2ed9 s ARG 69 Cb -0.14 -1.79 -0.04 0.00 -1.56 0.00 0.00 34.95 31.42 2ed9 s ARG 69 CO -0.04 0.43 0.02 0.21 -0.81 0.00 0.00 175.30 175.11 2ed9 s LYS 70 N -1.92 2.63 -0.04 5.12 2.47 -1.24 -1.42 119.74 125.35 2ed9 s LYS 70 Ca 0.12 -0.81 0.04 0.00 -1.56 0.00 0.00 55.97 53.76 2ed9 s LYS 70 Cb -0.10 -2.58 0.20 0.00 -1.46 0.00 0.00 37.83 33.89 2ed9 s LYS 70 CO 0.05 0.54 0.93 -2.37 0.16 0.00 0.00 175.35 174.67 2ed9 n THR 71 N 0.50 0.57 -1.15 3.43 5.66 -1.26 -4.14 114.28 117.90 2ed9 n THR 71 Ca -0.10 -0.33 -0.28 0.00 -3.05 0.00 0.00 64.05 60.29 2ed9 n THR 71 Cb 0.52 -0.25 0.07 0.00 -1.55 0.00 0.00 70.33 69.12 2ed9 n THR 71 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2ed9 n THR 72 N 0.13 3.29 -4.00 1.09 5.66 -1.26 -4.88 114.28 114.31 2ed9 n THR 72 Ca 0.07 -2.41 -0.30 0.00 -3.05 0.00 0.00 64.05 58.36 2ed9 n THR 72 Cb 0.39 -1.16 -0.05 0.00 -1.55 0.00 0.00 70.33 67.96 2ed9 n THR 72 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2ed9 n ARG 73 N -0.51 -0.74 -0.01 1.09 5.12 -1.26 -4.79 116.66 115.56 2ed9 n ARG 73 Ca 0.51 0.03 0.02 0.00 -1.93 0.00 0.00 57.85 56.48 2ed9 n ARG 73 Cb 0.71 -2.53 -0.04 0.00 -1.16 0.00 0.00 32.46 29.43 2ed9 n ARG 73 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2ed9 n ARG 74 N -4.07 0.61 0.00 5.56 -4.01 -1.26 -5.13 116.66 108.35 2ed9 n ARG 74 Ca -0.21 -0.04 0.00 0.00 -1.04 0.00 0.00 57.85 56.56 2ed9 n ARG 74 Cb 0.53 -1.12 0.00 0.00 -3.04 0.00 0.00 32.46 28.83 2ed9 n ARG 74 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2ed9 n GLY 75 N 2.30 0.02 2.83 2.89 0.00 -1.26 -5.02 105.19 106.93 2ed9 n GLY 75 Ca -0.02 -2.14 -0.16 0.00 0.00 0.00 0.00 46.02 43.70 2ed9 n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ed9 s GLU 76 N 0.00 0.27 -0.00 1.61 2.12 -1.26 -3.58 118.70 117.85 2ed9 s GLU 76 Ca 0.00 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.40 2ed9 s GLU 76 Cb 0.00 -0.43 -0.04 0.00 0.26 0.00 0.00 34.13 33.92 2ed9 s GLU 76 CO 0.00 -0.11 0.02 -1.64 -0.54 0.00 0.00 175.26 172.99 2ed9 s MET 77 N 0.89 2.87 -0.04 4.30 -1.94 -1.14 -5.02 119.30 119.21 2ed9 s MET 77 Ca -0.09 -0.57 -0.09 0.00 -1.71 0.00 0.00 55.69 53.23 2ed9 s MET 77 Cb -0.12 -2.73 -0.05 0.00 2.01 0.00 0.00 34.83 33.94 2ed9 s MET 77 CO -0.02 0.63 0.26 -2.00 -0.01 0.00 0.00 175.02 173.89 2ed9 s GLU 78 N -1.59 3.62 -0.25 2.03 2.12 -1.26 -2.90 118.70 120.46 2ed9 s GLU 78 Ca 0.20 0.03 -0.22 0.00 0.36 0.00 0.00 54.97 55.35 2ed9 s GLU 78 Cb -0.12 -3.15 0.07 0.00 0.26 0.00 0.00 34.13 31.19 2ed9 s GLU 78 CO 0.11 0.70 0.66 0.99 -0.54 0.00 0.00 175.26 177.18 2ed9 s THR 79 N -1.15 -0.00 0.03 -1.70 2.01 -0.11 -5.01 115.64 109.71 2ed9 s THR 79 Ca 0.22 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.23 2ed9 s THR 79 Cb -0.14 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 2ed9 s THR 79 CO 0.11 0.00 -0.05 -1.48 -0.69 0.00 0.00 174.62 172.51 2ed9 s LEU 80 N 0.51 2.27 -0.29 4.42 0.05 -1.26 0.23 118.68 124.61 2ed9 s LEU 80 Ca -0.01 -0.56 -0.02 0.00 0.05 0.00 0.00 54.13 53.59 2ed9 s LEU 80 Cb -0.05 -0.01 0.09 0.00 -2.05 0.00 0.00 46.19 44.17 2ed9 s LEU 80 CO -0.02 -0.28 0.09 -0.70 -0.55 0.00 0.00 176.35 174.90 2ed9 s GLU 81 N -1.71 0.58 0.32 1.48 2.12 -1.25 -4.99 118.70 115.26 2ed9 s GLU 81 Ca -0.11 -0.83 0.11 0.00 0.36 0.00 0.00 54.97 54.50 2ed9 s GLU 81 Cb -0.09 -1.82 0.54 0.00 0.26 0.00 0.00 34.13 33.03 2ed9 s GLU 81 CO -0.01 -0.93 1.72 -1.00 -0.54 0.00 0.00 175.26 174.50 2ed9 h PRO 82 N 8.19 0.01 -0.45 4.30 0.13 -1.93 -3.32 132.00 138.93 2ed9 h PRO 82 Ca -0.16 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.01 2ed9 h PRO 82 Cb 1.03 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.11 2ed9 h PRO 82 CO 0.44 0.49 -0.27 0.09 -0.23 0.00 0.00 178.00 178.53 2ed9 n ASN 83 N -3.96 -0.48 -3.01 1.44 4.13 -1.26 -4.80 115.26 107.32 2ed9 n ASN 83 Ca -0.02 1.26 -0.15 0.00 1.68 0.00 0.00 54.58 57.36 2ed9 n ASN 83 Cb 0.51 -0.33 -0.03 0.00 -1.54 0.00 0.00 39.78 38.38 2ed9 n ASN 83 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2ed9 n ASN 84 N -4.01 -1.39 -1.67 6.41 3.02 -1.25 -5.03 115.26 111.34 2ed9 n ASN 84 Ca 0.01 -2.91 -0.07 0.00 -0.03 0.00 0.00 54.58 51.58 2ed9 n ASN 84 Cb 0.12 2.59 0.01 0.00 -0.61 0.00 0.00 39.78 41.89 2ed9 n ASN 84 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ed9 n LEU 85 N 0.00 5.76 -3.71 3.41 4.77 -1.26 -4.78 117.00 121.18 2ed9 n LEU 85 Ca 0.00 -2.77 -0.14 0.00 -0.03 0.00 0.00 56.01 53.08 2ed9 n LEU 85 Cb 0.59 -1.12 -0.09 0.00 -2.33 0.00 0.00 43.42 40.48 2ed9 n LEU 85 CO 0.29 1.12 0.14 -1.66 -1.33 0.00 0.00 177.39 175.96 2ed9 s TRP 86 N -0.63 -0.46 -0.11 -1.77 1.48 -1.26 -2.96 118.94 113.23 2ed9 s TRP 86 Ca 0.14 1.04 -0.01 0.00 -1.06 0.00 0.00 56.10 56.20 2ed9 s TRP 86 Cb 0.10 0.18 0.03 0.00 -1.16 0.00 0.00 33.47 32.62 2ed9 s TRP 86 CO -0.01 -0.30 -0.01 -0.47 -4.06 0.00 0.00 176.95 172.10 2ed9 s TYR 87 N -0.19 0.98 -0.30 1.66 6.14 -0.79 -4.95 117.35 119.90 2ed9 s TYR 87 Ca -0.04 -0.48 -0.15 0.00 0.64 0.00 0.00 57.07 57.04 2ed9 s TYR 87 Cb -0.03 -0.97 -0.03 0.00 0.42 0.00 0.00 41.96 41.35 2ed9 s TYR 87 CO 0.02 -0.44 0.39 -1.17 0.64 0.00 0.00 175.55 175.00 2ed9 s LEU 88 N 1.87 4.17 0.06 6.97 1.98 -1.26 -3.05 118.68 129.42 2ed9 s LEU 88 Ca 0.04 0.13 0.01 0.00 -2.89 0.00 0.00 54.13 51.42 2ed9 s LEU 88 Cb -0.13 -2.43 -0.04 0.00 0.66 0.00 0.00 46.19 44.24 2ed9 s LEU 88 CO -0.07 -0.26 0.14 -0.36 -1.89 0.00 0.00 176.35 173.91 2ed9 s PHE 89 N 2.11 3.36 0.03 5.38 0.08 -0.96 -4.98 117.98 122.99 2ed9 s PHE 89 Ca 0.15 0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.34 2ed9 s PHE 89 Cb -0.16 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.57 2ed9 s PHE 89 CO 0.11 0.56 0.05 0.95 -0.10 0.00 0.00 175.22 176.79 2ed9 s THR 90 N -1.42 0.12 -0.18 0.64 -4.23 -1.26 -2.09 115.64 107.22 2ed9 s THR 90 Ca 0.31 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.80 2ed9 s THR 90 Cb -0.13 -0.65 -0.01 0.00 1.34 0.00 0.00 72.50 73.06 2ed9 s THR 90 CO 0.24 -0.56 0.16 0.61 -0.54 0.00 0.00 174.62 174.53 2ed9 n GLY 91 N 1.12 0.03 3.36 3.99 0.00 -0.13 -4.93 105.19 108.63 2ed9 n GLY 91 Ca -0.21 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.96 2.46 0.22 0.99 1.43 -0.54 -5.03 118.68 115.25 2ed9 s LEU 92 Ca 0.05 -0.89 -0.31 0.00 -1.03 0.00 0.00 54.13 51.96 2ed9 s LEU 92 Cb -0.01 -0.88 -0.10 0.00 0.03 0.00 0.00 46.19 45.23 2ed9 s LEU 92 CO 0.15 -0.02 1.51 -1.61 0.23 0.00 0.00 176.35 176.61 2ed9 s GLU 93 N -2.89 4.23 0.34 1.70 2.02 -1.26 -4.31 118.70 118.53 2ed9 s GLU 93 Ca 0.18 2.36 -0.25 0.00 0.02 0.00 0.00 54.97 57.28 2ed9 s GLU 93 Cb -0.06 -3.11 -0.10 0.00 0.10 0.00 0.00 34.13 30.96 2ed9 s GLU 93 CO 0.08 -0.52 0.97 -1.59 0.02 0.00 0.00 175.26 174.22 2ed9 s LYS 94 N 0.16 4.48 -1.11 1.61 -2.85 -1.26 -4.00 119.74 116.77 2ed9 s LYS 94 Ca 0.64 1.36 -0.00 0.00 -1.00 0.00 0.00 55.97 56.96 2ed9 s LYS 94 Cb -0.43 -2.71 -0.00 0.00 -2.06 0.00 0.00 37.83 32.62 2ed9 s LYS 94 CO 0.39 0.17 0.93 0.41 0.10 0.00 0.00 175.35 177.36 2ed9 n GLY 95 N 0.44 -0.36 3.10 0.59 0.00 -1.24 -4.90 105.19 102.81 2ed9 n GLY 95 Ca 0.03 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.20 0.53 -0.16 1.61 0.01 -1.26 -4.94 113.70 105.29 2ed9 s SER 96 Ca 0.03 -1.01 -0.10 0.00 1.31 0.00 0.00 55.95 56.19 2ed9 s SER 96 Cb -0.00 0.19 -0.05 0.00 0.21 0.00 0.00 66.02 66.37 2ed9 s SER 96 CO 0.68 -0.59 0.16 -1.58 0.41 0.00 0.00 173.24 172.32 2ed9 s GLN 97 N -3.92 3.93 0.11 12.44 0.74 -1.26 -2.72 119.66 128.98 2ed9 s GLN 97 Ca 0.08 -0.13 0.07 0.00 0.05 0.00 0.00 55.36 55.42 2ed9 s GLN 97 Cb 0.08 -3.33 -0.04 0.00 1.10 0.00 0.00 33.01 30.82 2ed9 s GLN 97 CO -0.09 0.47 -0.18 0.71 -0.55 0.00 0.00 175.29 175.65 2ed9 s TYR 98 N -0.16 1.58 -0.04 1.67 1.51 -0.83 -4.12 117.35 116.97 2ed9 s TYR 98 Ca 0.12 -0.46 0.07 0.00 -1.01 0.00 0.00 57.07 55.78 2ed9 s TYR 98 Cb -0.12 -0.85 -0.02 0.00 -0.11 0.00 0.00 41.96 40.86 2ed9 s TYR 98 CO 0.01 0.18 -0.23 -1.12 -1.11 0.00 0.00 175.55 173.28 2ed9 s SER 99 N -2.09 3.29 0.16 2.29 0.01 -0.50 -1.56 113.70 115.30 2ed9 s SER 99 Ca 0.06 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.93 2ed9 s SER 99 Cb -0.08 -0.57 -0.05 0.00 0.21 0.00 0.00 66.02 65.53 2ed9 s SER 99 CO 0.04 0.31 -0.01 -0.36 0.41 0.00 0.00 173.24 173.63 2ed9 s PHE 100 N -0.54 1.16 -0.26 2.43 0.40 -0.71 -1.62 117.98 118.84 2ed9 s PHE 100 Ca 0.07 -1.00 -0.25 0.00 -0.60 0.00 0.00 56.93 55.16 2ed9 s PHE 100 Cb -0.11 -0.66 0.07 0.00 0.51 0.00 0.00 43.02 42.83 2ed9 s PHE 100 CO 0.00 -0.20 0.71 -1.14 0.70 0.00 0.00 175.22 175.29 2ed9 s GLN 101 N -3.90 0.83 0.01 0.44 0.74 -0.98 -2.70 119.66 114.09 2ed9 s GLN 101 Ca 0.22 0.97 0.06 0.00 0.05 0.00 0.00 55.36 56.65 2ed9 s GLN 101 Cb 0.06 0.40 -0.03 0.00 1.10 0.00 0.00 33.01 34.54 2ed9 s GLN 101 CO 0.03 -0.10 -0.16 0.08 -0.55 0.00 0.00 175.29 174.59 2ed9 s VAL 102 N 0.35 2.95 -0.02 1.34 1.01 -1.26 -2.43 120.40 122.33 2ed9 s VAL 102 Ca -0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 2ed9 s VAL 102 Cb -0.05 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.14 2ed9 s VAL 102 CO 0.01 0.43 0.04 -0.44 0.00 0.00 0.00 175.10 175.14 2ed9 s SER 103 N -1.19 0.02 -0.38 3.32 0.01 -1.13 -2.36 113.70 111.98 2ed9 s SER 103 Ca 0.14 0.07 -0.22 0.00 1.31 0.00 0.00 55.95 57.24 2ed9 s SER 103 Cb -0.11 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.13 2ed9 s SER 103 CO 0.04 -0.09 0.75 0.00 0.41 0.00 0.00 173.24 174.35 2ed9 s ALA 104 N 0.71 3.40 -0.05 1.44 0.00 -1.26 -2.36 121.76 123.65 2ed9 s ALA 104 Ca -0.06 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 2ed9 s ALA 104 Cb -0.08 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 2ed9 s ALA 104 CO -0.02 -1.55 0.47 -1.64 0.00 0.00 0.00 175.76 173.02 2ed9 s MET 105 N 3.05 4.18 0.29 0.00 -1.94 -0.96 -0.81 119.30 123.11 2ed9 s MET 105 Ca 0.29 0.49 0.08 0.00 -1.71 0.00 0.00 55.69 54.85 2ed9 s MET 105 Cb -0.13 -3.33 -0.06 0.00 2.01 0.00 0.00 34.83 33.32 2ed9 s MET 105 CO 0.18 0.41 -0.09 0.95 -0.01 0.00 0.00 175.02 176.46 2ed9 s THR 106 N -0.23 1.89 0.41 2.05 -4.23 -0.41 -2.95 115.64 112.18 2ed9 s THR 106 Ca 0.26 -2.19 0.25 0.00 -1.18 0.00 0.00 61.69 58.83 2ed9 s THR 106 Cb -0.16 -2.44 0.43 0.00 1.34 0.00 0.00 72.50 71.67 2ed9 s THR 106 CO 0.13 -0.32 1.65 1.62 -0.54 0.00 0.00 174.62 177.16 2ed9 h VAL 107 N 2.24 0.20 -0.10 2.29 3.04 -1.81 0.37 116.25 122.49 2ed9 h VAL 107 Ca -0.40 -0.06 -0.04 0.00 -1.01 0.00 0.00 66.70 65.19 2ed9 h VAL 107 Cb 1.24 0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2ed9 h VAL 107 CO 0.67 0.03 -0.10 0.78 -1.01 0.00 0.00 177.57 177.94 2ed9 h ASN 108 N 0.17 0.25 0.00 3.17 4.21 -1.94 -3.50 115.58 117.94 2ed9 h ASN 108 Ca 0.77 -0.48 0.00 0.00 1.21 0.00 0.00 56.30 57.80 2ed9 h ASN 108 Cb 2.23 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 39.36 2ed9 h ASN 108 CO -0.46 0.68 0.00 0.61 -1.29 0.00 0.00 177.43 176.97 2ed9 n GLY 109 N 0.20 -2.21 3.74 2.83 0.00 0.13 -4.93 105.19 104.95 2ed9 n GLY 109 Ca -0.07 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.05 2.60 0.00 2.61 2.01 -1.26 -1.28 115.64 118.27 2ed9 s THR 110 Ca 0.00 0.48 -0.00 0.00 0.31 0.00 0.00 61.69 62.48 2ed9 s THR 110 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.21 2ed9 s THR 110 CO 0.00 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2ed9 n GLY 111 N 2.70 -1.53 3.76 4.40 0.00 0.01 -4.84 105.19 109.69 2ed9 n GLY 111 Ca 0.09 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 2ed9 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ed9 s PRO 112 N -3.01 4.46 -0.24 1.61 0.04 -1.26 -4.78 135.00 131.82 2ed9 s PRO 112 Ca 0.00 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 2ed9 s PRO 112 Cb -0.00 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 2ed9 s PRO 112 CO 0.00 -0.05 1.63 -1.25 0.04 0.00 0.00 177.00 177.37 2ed9 s PRO 113 N -1.54 3.72 1.07 0.56 0.04 -1.26 -4.59 135.00 133.00 2ed9 s PRO 113 Ca 0.48 1.59 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 2ed9 s PRO 113 Cb -0.37 -4.06 0.21 0.00 0.04 0.00 0.00 34.50 30.33 2ed9 s PRO 113 CO 0.48 -1.38 0.96 0.45 0.04 0.00 0.00 177.00 177.54 2ed9 n SER 114 N 8.71 -1.05 -4.27 6.66 2.88 -1.00 -4.92 113.62 120.64 2ed9 n SER 114 Ca 0.19 0.08 -0.34 0.00 -1.33 0.00 0.00 58.87 57.47 2ed9 n SER 114 Cb 0.46 -1.32 0.09 0.00 -0.75 0.00 0.00 64.21 62.69 2ed9 n SER 114 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2ed9 n ASN 115 N -4.27 -3.52 -4.38 -3.46 3.02 -1.26 -4.71 115.26 96.68 2ed9 n ASN 115 Ca 0.06 0.28 -0.45 0.00 -0.03 0.00 0.00 54.58 54.45 2ed9 n ASN 115 Cb 0.54 -1.04 -0.03 0.00 -0.61 0.00 0.00 39.78 38.63 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 -2.24 3.21 0.33 3.10 0.52 -1.26 -4.67 118.94 117.93 2ed9 s TRP 116 Ca 0.51 -1.32 -0.23 0.00 0.02 0.00 0.00 56.10 55.08 2ed9 s TRP 116 Cb -0.21 -4.04 -0.10 0.00 -1.15 0.00 0.00 33.47 27.98 2ed9 s TRP 116 CO 0.73 -1.27 0.89 0.71 0.02 0.00 0.00 176.95 178.02 2ed9 s TYR 117 N 2.08 3.57 -0.03 -1.98 1.51 -1.10 -4.92 117.35 116.49 2ed9 s TYR 117 Ca 0.18 1.62 0.07 0.00 -1.01 0.00 0.00 57.07 57.94 2ed9 s TYR 117 Cb -0.16 -2.82 -0.02 0.00 -0.11 0.00 0.00 41.96 38.86 2ed9 s TYR 117 CO -0.01 0.15 -0.25 0.99 -1.11 0.00 0.00 175.55 175.32 2ed9 s THR 118 N -1.76 1.96 -0.05 -0.71 2.01 -1.26 -1.74 115.64 114.09 2ed9 s THR 118 Ca 0.52 -1.05 0.04 0.00 0.31 0.00 0.00 61.69 61.51 2ed9 s THR 118 Cb -0.15 -1.63 -0.00 0.00 0.01 0.00 0.00 72.50 70.72 2ed9 s THR 118 CO 0.20 0.55 -0.17 0.00 -0.69 0.00 0.00 174.62 174.52 2ed9 s ALA 119 N -0.46 1.51 -0.19 7.40 0.00 -0.60 -5.00 121.76 124.41 2ed9 s ALA 119 Ca 0.06 -0.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 2ed9 s ALA 119 Cb -0.11 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 2ed9 s ALA 119 CO 0.00 0.25 0.00 -1.21 0.00 0.00 0.00 175.76 174.80 2ed9 s GLU 120 N 0.15 3.65 0.29 0.00 2.02 -1.26 -1.97 118.70 121.59 2ed9 s GLU 120 Ca -0.06 -0.51 -0.24 0.00 0.02 0.00 0.00 54.97 54.18 2ed9 s GLU 120 Cb -0.12 -3.07 -0.09 0.00 0.10 0.00 0.00 34.13 30.94 2ed9 s GLU 120 CO 0.03 0.06 0.87 0.95 0.02 0.00 0.00 175.26 177.18 2ed9 s THR 121 N 0.88 4.34 -0.32 3.63 -4.23 -1.10 -4.99 115.64 113.85 2ed9 s THR 121 Ca 0.01 1.62 -0.29 0.00 -1.18 0.00 0.00 61.69 61.85 2ed9 s THR 121 Cb -0.14 -3.94 -0.01 0.00 1.34 0.00 0.00 72.50 69.74 2ed9 s THR 121 CO 0.02 0.14 1.68 -2.16 -0.54 0.00 0.00 174.62 173.76 2ed9 s PRO 122 N -2.08 3.50 0.35 3.99 0.04 -1.26 -3.74 135.00 135.79 2ed9 s PRO 122 Ca 0.48 1.39 0.17 0.00 0.04 0.00 0.00 61.00 63.09 2ed9 s PRO 122 Cb -0.17 -4.12 1.21 0.00 0.04 0.00 0.00 34.50 31.45 2ed9 s PRO 122 CO 0.22 -1.66 1.52 0.39 0.04 0.00 0.00 177.00 177.52 2ed9 n GLU 123 N 8.18 -0.06 0.00 4.56 1.02 -1.26 -4.31 120.64 128.76 2ed9 n GLU 123 Ca 0.21 1.35 0.03 0.00 -0.02 0.00 0.00 57.16 58.73 2ed9 n GLU 123 Cb 0.47 -2.38 0.17 0.00 -0.02 0.00 0.00 31.44 29.68 2ed9 n GLU 123 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60