#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gec s PRO 2 N 0.00 1.65 0.00 3.23 0.04 -1.26 -4.97 135.00 133.69 1gec s PRO 2 Ca 0.00 -1.08 0.14 0.00 0.04 0.00 0.00 61.00 60.10 1gec s PRO 2 Cb 0.00 -2.31 0.73 0.00 0.04 0.00 0.00 34.50 32.96 1gec s PRO 2 CO 0.00 -1.47 1.36 0.39 0.04 0.00 0.00 177.00 177.31 1gec n GLU 3 N -2.86 0.24 -3.61 4.56 1.02 -1.26 -4.79 120.64 113.94 1gec n GLU 3 Ca 0.15 0.13 -0.08 0.00 -0.02 0.00 0.00 57.16 57.34 1gec n GLU 3 Cb 0.61 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 1gec n GLU 3 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1gec s SER 4 N -2.47 -0.29 -0.01 1.62 0.15 -1.26 -4.35 113.70 107.08 1gec s SER 4 Ca 0.15 0.41 -0.10 0.00 0.70 0.00 0.00 55.95 57.11 1gec s SER 4 Cb 0.09 0.36 0.01 0.00 -1.71 0.00 0.00 66.02 64.78 1gec s SER 4 CO 0.20 -0.21 0.20 0.68 1.20 0.00 0.00 173.24 175.32 1gec s VAL 5 N -0.65 0.06 -0.30 4.45 -7.23 -0.53 -4.95 120.40 111.25 1gec s VAL 5 Ca 0.02 -0.54 0.06 0.00 -1.81 0.00 0.00 61.98 59.72 1gec s VAL 5 Cb -0.02 -0.48 0.20 0.00 0.56 0.00 0.00 36.38 36.64 1gec s VAL 5 CO -0.04 -0.29 0.59 -0.62 -0.31 0.00 0.00 175.10 174.43 1gec s ASP 6 N -1.18 -1.63 0.56 4.85 -1.08 -1.26 -1.85 116.67 115.08 1gec s ASP 6 Ca -0.13 0.12 0.34 0.00 -0.52 0.00 0.00 52.55 52.36 1gec s ASP 6 Cb -0.06 2.03 1.62 0.00 -1.46 0.00 0.00 42.92 45.05 1gec s ASP 6 CO 0.02 -0.29 2.09 -0.50 0.52 0.00 0.00 175.17 177.02 1gec h TRP 7 N 7.92 0.00 -0.21 -5.34 4.06 -1.84 -2.66 115.95 117.89 1gec h TRP 7 Ca -0.01 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.91 1gec h TRP 7 Cb 1.19 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.34 1gec h TRP 7 CO 0.25 0.05 -0.01 0.00 -3.56 0.00 0.00 178.44 175.18 1gec h ARG 8 N 0.00 0.37 -0.45 0.49 3.08 -1.92 0.31 114.38 116.27 1gec h ARG 8 Ca -0.00 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1gec h ARG 8 Cb 0.36 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1gec h ARG 8 CO 0.01 0.57 0.21 0.00 -1.07 0.00 0.00 179.97 179.69 1gec h ALA 9 N 0.79 1.52 0.00 0.04 0.00 -1.88 0.12 119.26 119.85 1gec h ALA 9 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1gec h ALA 9 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1gec h ALA 9 CO 0.01 0.38 0.00 1.63 0.00 0.00 0.00 179.25 181.27 1gec n LYS 10 N -4.39 0.99 -2.38 0.00 4.76 -1.10 -4.89 118.16 111.15 1gec n LYS 10 Ca 0.03 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.35 1gec n LYS 10 Cb 0.12 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 1gec n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gec n GLY 11 N 0.66 -0.10 0.92 0.72 0.00 0.03 -4.96 105.19 102.47 1gec n GLY 11 Ca 0.08 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.85 1gec n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gec n ALA 12 N -1.98 2.26 -3.08 4.61 0.00 0.11 -4.83 120.51 117.60 1gec n ALA 12 Ca -0.12 -1.19 -0.27 0.00 0.00 0.00 0.00 53.44 51.86 1gec n ALA 12 Cb 0.60 -0.63 -0.16 0.00 0.00 0.00 0.00 19.45 19.25 1gec n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1gec s VAL 13 N -1.01 1.53 0.61 0.00 1.01 -1.24 -3.96 120.40 117.34 1gec s VAL 13 Ca 0.33 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1gec s VAL 13 Cb 0.17 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 35.27 1gec s VAL 13 CO 0.23 0.44 0.86 0.42 0.00 0.00 0.00 175.10 177.05 1gec s THR 14 N 0.22 2.51 0.76 3.92 -4.23 -1.26 -4.94 115.64 112.62 1gec s THR 14 Ca -0.09 -0.53 -0.16 0.00 -1.18 0.00 0.00 61.69 59.73 1gec s THR 14 Cb -0.14 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.70 1gec s THR 14 CO 0.04 0.00 0.51 -2.65 -0.54 0.00 0.00 174.62 171.98 1gec n PRO 15 N -2.56 0.21 -2.50 3.99 -0.02 -1.26 -4.93 135.00 127.94 1gec n PRO 15 Ca 0.08 0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 61.26 1gec n PRO 15 Cb 0.60 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 1gec n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1gec s VAL 16 N -1.98 4.02 0.45 -1.45 1.01 -1.26 -5.03 120.40 116.15 1gec s VAL 16 Ca 0.64 1.59 0.08 0.00 0.00 0.00 0.00 61.98 64.29 1gec s VAL 16 Cb -0.33 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1gec s VAL 16 CO 0.59 0.20 0.45 -0.54 0.00 0.00 0.00 175.10 175.81 1gec s LYS 17 N 0.29 2.53 -0.17 2.72 -0.14 -1.26 -4.60 119.74 119.11 1gec s LYS 17 Ca 0.53 -1.55 -0.01 0.00 -1.36 0.00 0.00 55.97 53.58 1gec s LYS 17 Cb -0.29 -2.44 -0.00 0.00 -1.68 0.00 0.00 37.83 33.42 1gec s LYS 17 CO 0.32 -0.31 -0.13 -1.01 -0.76 0.00 0.00 175.35 173.46 1gec s HIS 18 N -2.50 2.83 0.09 3.18 3.76 -1.26 -1.08 115.29 120.31 1gec s HIS 18 Ca 0.49 -1.01 0.13 0.00 -0.15 0.00 0.00 55.06 54.52 1gec s HIS 18 Cb -0.04 -1.94 0.24 0.00 1.11 0.00 0.00 32.58 31.94 1gec s HIS 18 CO 0.29 -0.48 1.52 1.96 -0.85 0.00 0.00 174.74 177.18 1gec h GLN 19 N 7.46 0.00 0.00 1.40 4.20 -1.80 -3.49 115.11 122.89 1gec h GLN 19 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1gec h GLN 19 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1gec h GLN 19 CO 0.58 0.61 0.00 0.41 -0.67 0.00 0.00 178.83 179.76 1gec n GLY 20 N 0.77 -0.15 2.80 3.46 0.00 -1.26 -3.95 105.19 106.86 1gec n GLY 20 Ca 0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 1gec n GLY 20 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gec n TYR 21 N 0.00 2.73 -3.66 1.61 9.36 -1.26 -4.86 117.16 121.07 1gec n TYR 21 Ca 0.00 -2.74 -0.11 0.00 3.32 0.00 0.00 57.90 58.36 1gec n TYR 21 Cb 0.00 -1.77 -0.08 0.00 -0.63 0.00 0.00 39.34 36.85 1gec n TYR 21 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1gec n GLU 23 N 3.39 3.75 -0.71 0.00 1.02 -0.61 -4.63 120.64 122.84 1gec n GLU 23 Ca -0.17 -2.63 0.01 0.00 -0.02 0.00 0.00 57.16 54.35 1gec n GLU 23 Cb 0.57 -2.86 0.26 0.00 -0.02 0.00 0.00 31.44 29.39 1gec n GLU 23 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1gec n SER 24 N 3.64 3.82 -0.06 1.62 3.41 -1.26 -1.73 113.62 123.05 1gec n SER 24 Ca 0.68 -3.27 0.16 0.00 -0.26 0.00 0.00 58.87 56.17 1gec n SER 24 Cb 0.27 -0.63 0.58 0.00 -0.26 0.00 0.00 64.21 64.17 1gec n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gec h TRP 26 N 0.24 1.17 -0.07 0.00 5.08 -1.85 -1.02 115.95 119.51 1gec h TRP 26 Ca 0.28 0.00 -0.23 0.00 1.08 0.00 0.00 58.89 60.02 1gec h TRP 26 Cb 0.78 -0.39 0.01 0.00 -3.00 0.00 0.00 29.16 26.56 1gec h TRP 26 CO -0.00 0.77 -0.88 0.00 -1.28 0.00 0.00 178.44 177.05 1gec h ALA 27 N 1.37 0.31 -0.22 0.11 0.00 -1.50 -2.95 119.26 116.38 1gec h ALA 27 Ca 0.32 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1gec h ALA 27 Cb -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1gec h ALA 27 CO -0.06 0.72 0.05 0.74 0.00 0.00 0.00 179.25 180.70 1gec h PHE 28 N 0.40 0.39 -0.50 0.00 -1.00 -1.00 -2.44 116.94 112.78 1gec h PHE 28 Ca -0.08 -0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.56 1gec h PHE 28 Cb 1.51 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.94 1gec h PHE 28 CO 0.08 0.48 -0.05 0.66 -1.61 0.00 0.00 178.31 177.87 1gec h SER 29 N 0.18 0.86 0.23 2.17 4.64 -1.26 -2.50 113.55 117.85 1gec h SER 29 Ca 0.07 -0.24 -0.12 0.00 -0.47 0.00 0.00 61.79 61.03 1gec h SER 29 Cb 0.30 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1gec h SER 29 CO 0.00 0.95 -0.45 0.71 -0.87 0.00 0.00 176.83 177.17 1gec h THR 30 N 0.80 1.32 -0.19 2.95 1.35 -1.50 -1.65 112.91 115.99 1gec h THR 30 Ca 0.14 -1.62 -0.06 0.00 -0.55 0.00 0.00 66.41 64.33 1gec h THR 30 Cb 0.55 1.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1gec h THR 30 CO 0.03 0.49 -0.10 0.58 -0.25 0.00 0.00 175.52 176.27 1gec h VAL 31 N 0.23 1.31 -0.83 6.82 2.07 -1.24 -2.11 116.25 122.50 1gec h VAL 31 Ca 0.02 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 66.44 1gec h VAL 31 Cb 0.89 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 1gec h VAL 31 CO 0.07 0.35 0.50 0.00 0.02 0.00 0.00 177.57 178.52 1gec h ALA 32 N 0.69 1.15 -0.16 1.67 0.00 -1.23 0.11 119.26 121.49 1gec h ALA 32 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1gec h ALA 32 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1gec h ALA 32 CO 0.03 0.21 -0.30 1.79 0.00 0.00 0.00 179.25 180.98 1gec h THR 33 N 0.90 1.27 0.02 0.00 1.35 -1.24 -2.61 112.91 112.60 1gec h THR 33 Ca 0.37 -1.27 -0.25 0.00 -0.55 0.00 0.00 66.41 64.71 1gec h THR 33 Cb 0.22 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 68.13 1gec h THR 33 CO -0.19 0.39 -1.04 0.58 -0.25 0.00 0.00 175.52 175.01 1gec h VAL 34 N 0.27 1.34 -0.00 6.82 2.07 -0.49 -1.60 116.25 124.65 1gec h VAL 34 Ca 0.04 -2.39 -0.04 0.00 0.82 0.00 0.00 66.70 65.13 1gec h VAL 34 Cb 0.67 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1gec h VAL 34 CO 0.05 0.73 -0.16 -0.33 0.02 0.00 0.00 177.57 177.87 1gec h GLU 35 N 0.30 0.01 0.05 1.57 5.08 -0.82 -1.54 114.58 119.23 1gec h GLU 35 Ca -0.12 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1gec h GLU 35 Cb 1.69 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1gec h GLU 35 CO 0.19 0.17 -0.03 0.78 -1.00 0.00 0.00 179.01 179.13 1gec h GLY 36 N 0.50 -0.08 2.00 -3.84 0.00 -1.27 -2.70 103.07 97.69 1gec h GLY 36 Ca -0.00 0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 1gec h GLY 36 CO 0.02 -0.03 -0.46 1.19 0.00 0.00 0.00 176.54 177.26 1gec h ILE 37 N -0.58 1.16 -0.23 2.60 6.09 -1.13 -2.18 117.51 123.24 1gec h ILE 37 Ca -0.01 -1.68 -0.05 0.00 -1.37 0.00 0.00 64.86 61.76 1gec h ILE 37 Cb 0.51 1.95 -0.01 0.00 0.47 0.00 0.00 36.82 39.74 1gec h ILE 37 CO 0.01 0.45 -0.05 -1.13 -3.07 0.00 0.00 178.15 174.36 1gec h ASN 38 N 0.00 0.44 -0.65 2.19 -1.24 -1.35 -0.26 115.58 114.71 1gec h ASN 38 Ca -0.00 -0.37 -0.07 0.00 0.71 0.00 0.00 56.30 56.57 1gec h ASN 38 Cb 0.91 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.81 1gec h ASN 38 CO 0.06 0.70 0.13 0.50 -1.29 0.00 0.00 177.43 177.53 1gec h LYS 39 N 0.17 1.08 -0.23 6.67 3.11 -1.30 0.55 116.57 126.61 1gec h LYS 39 Ca 0.06 -0.27 0.00 0.00 -2.81 0.00 0.00 60.65 57.63 1gec h LYS 39 Cb 0.51 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.59 1gec h LYS 39 CO 0.02 0.98 0.15 0.82 -2.81 0.00 0.00 179.45 178.60 1gec h ILE 40 N 1.02 1.07 -0.00 2.00 2.04 -1.18 1.22 117.51 123.68 1gec h ILE 40 Ca 0.21 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1gec h ILE 40 Cb 0.41 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1gec h ILE 40 CO 0.01 0.07 -0.11 0.11 0.00 0.00 0.00 178.15 178.23 1gec h LYS 41 N 0.30 0.08 0.00 2.37 1.79 -0.97 -3.39 116.57 116.75 1gec h LYS 41 Ca 0.08 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1gec h LYS 41 Cb -0.01 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1gec h LYS 41 CO -0.02 0.85 -1.16 2.41 -1.08 0.00 0.00 179.45 180.45 1gec n THR 42 N -4.62 0.68 -0.28 -0.16 -1.04 0.19 -4.99 114.28 104.06 1gec n THR 42 Ca -0.10 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1gec n THR 42 Cb 0.44 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 1gec n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gec n GLY 43 N 1.23 2.18 3.64 3.41 0.00 0.42 -4.97 105.19 111.09 1gec n GLY 43 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1gec n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gec s ASN 44 N -3.57 6.00 -0.44 1.61 0.02 -1.25 -4.94 114.94 112.38 1gec s ASN 44 Ca 0.00 0.07 -0.11 0.00 -1.02 0.00 0.00 52.86 51.81 1gec s ASN 44 Cb 0.00 -2.08 0.08 0.00 0.02 0.00 0.00 41.25 39.27 1gec s ASN 44 CO 0.00 0.05 0.30 -0.22 0.02 0.00 0.00 177.10 177.25 1gec s LEU 45 N 1.13 5.31 0.12 0.60 0.20 -1.26 -2.80 118.68 121.98 1gec s LEU 45 Ca 0.07 -1.51 0.09 0.00 0.69 0.00 0.00 54.13 53.47 1gec s LEU 45 Cb -0.14 -2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 43.55 1gec s LEU 45 CO 0.05 -0.58 -0.21 0.68 -0.29 0.00 0.00 176.35 176.00 1gec s VAL 46 N 1.47 1.81 0.02 1.68 -7.23 -1.26 -5.09 120.40 111.80 1gec s VAL 46 Ca 0.03 -1.67 -0.25 0.00 -1.81 0.00 0.00 61.98 58.28 1gec s VAL 46 Cb -0.24 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 1gec s VAL 46 CO 0.03 -0.11 0.78 -1.61 -0.31 0.00 0.00 175.10 173.88 1gec s GLU 47 N -2.17 4.50 0.45 4.82 2.02 -1.26 -4.77 118.70 122.29 1gec s GLU 47 Ca 0.10 1.08 0.08 0.00 0.02 0.00 0.00 54.97 56.24 1gec s GLU 47 Cb -0.09 -3.39 0.01 0.00 0.10 0.00 0.00 34.13 30.76 1gec s GLU 47 CO 0.05 0.21 0.47 -0.51 0.02 0.00 0.00 175.26 175.51 1gec s LEU 48 N 0.20 3.34 -0.39 1.80 1.43 -1.26 -0.70 118.68 123.10 1gec s LEU 48 Ca 0.40 -0.74 -0.16 0.00 -1.03 0.00 0.00 54.13 52.59 1gec s LEU 48 Cb -0.20 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 43.98 1gec s LEU 48 CO 0.23 -0.81 0.41 -0.55 0.23 0.00 0.00 176.35 175.86 1gec s SER 49 N -4.26 6.19 0.24 2.29 0.15 -0.09 -4.03 113.70 114.20 1gec s SER 49 Ca 0.50 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.69 1gec s SER 49 Cb -0.05 -2.21 0.27 0.00 -1.71 0.00 0.00 66.02 62.32 1gec s SER 49 CO 0.30 -0.48 1.62 -0.33 1.20 0.00 0.00 173.24 175.55 1gec h GLU 50 N 8.61 0.48 -0.75 5.44 3.07 -1.86 -3.18 114.58 126.39 1gec h GLU 50 Ca -0.28 -0.24 0.06 0.00 -0.50 0.00 0.00 59.36 58.41 1gec h GLU 50 Cb 1.12 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.98 1gec h GLU 50 CO 0.75 0.81 0.44 0.37 -1.40 0.00 0.00 179.01 179.98 1gec h GLN 51 N 0.40 0.77 -0.66 2.33 5.75 -1.86 -1.59 115.11 120.24 1gec h GLN 51 Ca 0.03 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.54 1gec h GLN 51 Cb 0.89 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 29.21 1gec h GLN 51 CO 0.08 0.51 0.37 1.49 -2.65 0.00 0.00 178.83 178.62 1gec h GLU 52 N 0.79 0.67 -0.58 1.69 4.81 -1.81 -1.04 114.58 119.12 1gec h GLU 52 Ca 0.34 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.46 1gec h GLU 52 Cb 0.21 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1gec h GLU 52 CO -0.19 0.44 0.10 -0.07 -0.73 0.00 0.00 179.01 178.57 1gec h LEU 53 N 0.69 0.92 -0.60 1.64 3.38 -1.55 1.08 115.31 120.87 1gec h LEU 53 Ca 0.29 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1gec h LEU 53 Cb 0.16 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1gec h LEU 53 CO -0.17 0.94 0.31 0.58 0.09 0.00 0.00 178.44 180.19 1gec h VAL 54 N 0.86 0.94 0.15 1.22 2.07 -0.43 0.44 116.25 121.49 1gec h VAL 54 Ca 0.18 -0.20 -0.33 0.00 0.82 0.00 0.00 66.70 67.17 1gec h VAL 54 Cb 0.41 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1gec h VAL 54 CO 0.01 0.11 -1.68 0.44 0.02 0.00 0.00 177.57 176.47 1gec h ASP 55 N 0.58 0.50 0.46 0.57 3.32 -1.04 -3.33 116.42 117.48 1gec h ASP 55 Ca 0.27 -0.75 -0.30 0.00 0.02 0.00 0.00 57.03 56.27 1gec h ASP 55 Cb 0.19 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1gec h ASP 55 CO -0.19 1.63 -1.71 0.00 -1.72 0.00 0.00 179.24 177.26 1gec s ASP 57 N -6.27 5.87 0.00 0.00 2.15 0.15 -4.83 116.67 113.74 1gec s ASP 57 Ca -0.07 1.04 0.28 0.00 0.43 0.00 0.00 52.55 54.23 1gec s ASP 57 Cb 0.08 -2.53 1.10 0.00 -0.30 0.00 0.00 42.92 41.27 1gec s ASP 57 CO 0.82 -1.77 1.78 0.18 -0.17 0.00 0.00 175.17 176.01 1gec n LEU 58 N 10.41 0.55 0.06 -1.34 4.77 -1.26 -3.49 117.00 126.70 1gec n LEU 58 Ca 0.21 -0.02 -0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1gec n LEU 58 Cb 0.48 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1gec n LEU 58 CO 0.69 0.10 -0.06 1.56 -1.33 0.00 0.00 177.39 178.35 1gec h GLN 59 N 0.62 0.00 -7.00 3.23 1.08 -1.93 -3.46 115.11 107.65 1gec h GLN 59 Ca 0.00 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.74 1gec h GLN 59 Cb 0.40 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 27.90 1gec h GLN 59 CO 0.00 0.41 0.05 -1.12 -0.95 0.00 0.00 178.83 177.22 1gec s SER 60 N -6.05 4.75 -0.38 1.46 0.01 -1.23 -4.87 113.70 107.39 1gec s SER 60 Ca -0.01 -0.21 0.05 0.00 1.31 0.00 0.00 55.95 57.10 1gec s SER 60 Cb 0.08 -0.39 0.47 0.00 0.21 0.00 0.00 66.02 66.40 1gec s SER 60 CO 0.79 -1.55 1.48 -1.22 0.41 0.00 0.00 173.24 173.15 1gec n TYR 61 N -2.63 2.36 0.00 2.43 4.02 -0.03 -4.94 117.16 118.37 1gec n TYR 61 Ca 0.12 -2.24 0.00 0.00 -0.01 0.00 0.00 57.90 55.77 1gec n TYR 61 Cb 0.60 -0.66 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 1gec n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1gec n GLY 62 N -0.89 3.28 0.69 2.72 0.00 -1.25 -1.06 105.19 108.68 1gec n GLY 62 Ca 0.45 0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.75 1gec n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gec n ASN 64 N 0.09 2.79 0.00 0.00 2.85 -0.22 -1.58 115.26 119.19 1gec n ASN 64 Ca 0.05 -2.88 0.00 0.00 -0.11 0.00 0.00 54.58 51.64 1gec n ASN 64 Cb 0.39 -0.46 0.00 0.00 1.24 0.00 0.00 39.78 40.94 1gec n ASN 64 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1gec n ARG 65 N -0.45 0.00 -2.07 1.20 1.74 -0.71 -4.68 116.66 111.70 1gec n ARG 65 Ca 0.21 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1gec n ARG 65 Cb 0.82 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.26 1gec n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gec n GLY 66 N -0.86 0.91 3.52 -0.13 0.00 -1.26 -0.85 105.19 106.52 1gec n GLY 66 Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 1gec n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gec s TYR 67 N -4.25 2.58 -0.03 1.61 2.02 -1.26 -4.85 117.35 113.16 1gec s TYR 67 Ca 0.05 -0.24 -0.20 0.00 -0.37 0.00 0.00 57.07 56.31 1gec s TYR 67 Cb -0.00 -1.34 -0.13 0.00 -0.40 0.00 0.00 41.96 40.09 1gec s TYR 67 CO 0.01 0.43 0.87 1.96 -1.57 0.00 0.00 175.55 177.24 1gec h GLN 68 N 3.50 -0.39 -0.95 -0.62 4.20 -1.99 -3.21 115.11 115.64 1gec h GLN 68 Ca -0.49 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.27 1gec h GLN 68 Cb 1.18 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.99 1gec h GLN 68 CO 0.49 -0.07 0.62 0.66 -0.67 0.00 0.00 178.83 179.86 1gec h SER 69 N -0.96 1.06 0.70 1.46 4.64 -1.98 -1.93 113.55 116.55 1gec h SER 69 Ca -0.04 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 1gec h SER 69 Cb 0.50 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1gec h SER 69 CO 0.07 0.74 -0.47 0.71 -0.87 0.00 0.00 176.83 177.01 1gec h THR 70 N 1.24 1.14 0.05 2.95 1.35 -1.98 0.27 112.91 117.93 1gec h THR 70 Ca 0.36 -1.73 -0.27 0.00 -0.55 0.00 0.00 66.41 64.22 1gec h THR 70 Cb -0.06 1.99 -0.03 0.00 -1.73 0.00 0.00 68.15 68.32 1gec h THR 70 CO -0.10 0.46 -1.42 0.77 -0.25 0.00 0.00 175.52 174.98 1gec h SER 71 N 0.00 0.17 -0.18 5.36 4.64 -1.54 -1.01 113.55 120.99 1gec h SER 71 Ca -0.00 -0.24 -0.19 0.00 -0.47 0.00 0.00 61.79 60.88 1gec h SER 71 Cb 0.95 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1gec h SER 71 CO 0.06 1.20 -0.61 -0.07 -0.87 0.00 0.00 176.83 176.55 1gec h LEU 72 N 0.03 0.90 -0.67 5.97 3.38 -1.21 -2.66 115.31 121.05 1gec h LEU 72 Ca -0.19 -0.51 -0.12 0.00 0.09 0.00 0.00 57.88 57.16 1gec h LEU 72 Cb 1.94 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 1gec h LEU 72 CO 0.13 1.29 -0.23 -0.61 0.09 0.00 0.00 178.44 179.11 1gec h GLN 73 N 0.59 0.78 -0.08 1.13 -0.00 -0.48 -2.29 115.11 114.77 1gec h GLN 73 Ca -0.00 -0.32 0.04 0.00 -0.00 0.00 0.00 58.65 58.37 1gec h GLN 73 Cb 1.21 -0.03 -0.06 0.00 0.00 0.00 0.00 27.48 28.60 1gec h GLN 73 CO 0.13 0.94 -0.29 -0.92 0.00 0.00 0.00 178.83 178.68 1gec h TYR 74 N 0.68 -0.80 -0.85 3.99 5.03 -0.95 -0.60 116.97 123.48 1gec h TYR 74 Ca 0.09 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.44 1gec h TYR 74 Cb 0.75 0.36 -0.04 0.00 1.55 0.00 0.00 36.73 39.35 1gec h TYR 74 CO 0.04 -0.38 0.55 0.28 -1.32 0.00 0.00 178.16 177.34 1gec h VAL 75 N -0.39 1.22 -0.96 1.81 2.07 -1.38 0.32 116.25 118.93 1gec h VAL 75 Ca 0.09 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1gec h VAL 75 Cb 0.52 -0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 1gec h VAL 75 CO -0.31 0.21 0.63 0.00 0.02 0.00 0.00 177.57 178.13 1gec h ALA 76 N 1.31 1.39 0.00 1.67 0.00 -0.96 0.16 119.26 122.83 1gec h ALA 76 Ca 0.31 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1gec h ALA 76 Cb -0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 1gec h ALA 76 CO -0.07 0.50 -0.22 0.37 0.00 0.00 0.00 179.25 179.84 1gec h GLN 77 N 1.19 0.00 -0.01 0.00 5.75 -0.59 -3.42 115.11 118.04 1gec h GLN 77 Ca 0.39 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.89 1gec h GLN 77 Cb 0.04 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.59 1gec h GLN 77 CO -0.13 0.90 -0.35 0.09 -2.65 0.00 0.00 178.83 176.69 1gec n ASN 78 N -4.59 1.32 -0.28 -0.69 4.13 0.11 -5.09 115.26 110.17 1gec n ASN 78 Ca -0.13 -1.16 0.02 0.00 1.68 0.00 0.00 54.58 54.99 1gec n ASN 78 Cb 0.47 0.56 -0.01 0.00 -1.54 0.00 0.00 39.78 39.27 1gec n ASN 78 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1gec n GLY 79 N 1.10 -2.00 3.31 7.41 0.00 0.56 -4.22 105.19 111.35 1gec n GLY 79 Ca 0.05 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 1gec n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gec s ILE 80 N -0.59 0.05 0.45 -0.61 2.07 0.18 -4.50 121.20 118.25 1gec s ILE 80 Ca 0.00 -0.39 0.04 0.00 -1.41 0.00 0.00 60.65 58.89 1gec s ILE 80 Cb 0.00 -0.75 0.01 0.00 0.13 0.00 0.00 42.46 41.85 1gec s ILE 80 CO 0.00 -0.21 0.64 -1.00 -1.91 0.00 0.00 174.94 172.46 1gec s HIS 81 N -1.51 2.99 0.37 3.50 3.76 -1.26 -1.25 115.29 121.88 1gec s HIS 81 Ca -0.12 -0.09 -0.28 0.00 -0.15 0.00 0.00 55.06 54.43 1gec s HIS 81 Cb -0.03 -2.41 -0.10 0.00 1.11 0.00 0.00 32.58 31.15 1gec s HIS 81 CO 0.04 -0.47 1.39 -0.51 -0.85 0.00 0.00 174.74 174.35 1gec s LEU 82 N -4.50 4.33 0.22 0.89 1.43 -1.26 -0.91 118.68 118.89 1gec s LEU 82 Ca 0.52 2.86 -0.08 0.00 -1.03 0.00 0.00 54.13 56.41 1gec s LEU 82 Cb -0.10 -3.71 0.27 0.00 0.03 0.00 0.00 46.19 42.68 1gec s LEU 82 CO 0.36 -0.77 1.84 -0.09 0.23 0.00 0.00 176.35 177.92 1gec h ARG 83 N 3.05 0.86 -0.07 1.70 2.43 -1.05 -1.69 114.38 119.62 1gec h ARG 83 Ca -0.50 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.58 1gec h ARG 83 Cb 1.24 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1gec h ARG 83 CO 0.64 0.57 -0.14 0.00 -1.51 0.00 0.00 179.97 179.53 1gec h ALA 84 N 1.36 1.65 0.00 2.80 0.00 -1.92 -2.66 119.26 120.49 1gec h ALA 84 Ca 0.33 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1gec h ALA 84 Cb 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1gec h ALA 84 CO -0.15 0.26 -0.63 0.87 0.00 0.00 0.00 179.25 179.60 1gec h LYS 85 N 0.10 0.00 -2.54 0.00 1.79 -1.71 -3.39 116.57 110.82 1gec h LYS 85 Ca 0.02 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.90 1gec h LYS 85 Cb 0.31 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 30.57 1gec h LYS 85 CO 0.02 0.48 -0.88 -0.47 -1.08 0.00 0.00 179.45 177.52 1gec s TYR 86 N -2.95 1.46 0.48 -1.35 6.14 -0.83 -4.97 117.35 115.33 1gec s TYR 86 Ca 0.03 -2.39 -0.24 0.00 0.64 0.00 0.00 57.07 55.12 1gec s TYR 86 Cb 0.08 -1.24 -0.07 0.00 0.42 0.00 0.00 41.96 41.15 1gec s TYR 86 CO 0.76 -0.78 1.37 -2.14 0.64 0.00 0.00 175.55 175.39 1gec s PRO 87 N -0.00 3.50 0.20 4.97 0.02 -1.10 -4.53 135.00 138.07 1gec s PRO 87 Ca 0.29 2.27 -0.30 0.00 0.02 0.00 0.00 61.00 63.28 1gec s PRO 87 Cb -0.03 -2.49 -0.08 0.00 0.02 0.00 0.00 34.50 31.92 1gec s PRO 87 CO -0.15 -0.91 0.95 -0.47 -0.33 0.00 0.00 177.00 176.09 1gec s TYR 88 N -1.27 3.93 0.00 6.54 5.04 -1.26 -4.76 117.35 125.56 1gec s TYR 88 Ca 0.65 1.88 0.00 0.00 -2.44 0.00 0.00 57.07 57.16 1gec s TYR 88 Cb -0.41 -3.01 0.00 0.00 0.35 0.00 0.00 41.96 38.89 1gec s TYR 88 CO 0.50 0.36 0.30 -0.89 -1.34 0.00 0.00 175.55 174.48 1gec n ILE 89 N 1.88 0.00 -1.51 3.14 -0.00 -1.26 -5.02 119.36 116.59 1gec n ILE 89 Ca -0.01 -0.30 -0.17 0.00 -0.00 0.00 0.00 62.75 62.27 1gec n ILE 89 Cb 0.48 1.38 -0.07 0.00 -0.00 0.00 0.00 39.64 41.43 1gec n ILE 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1gec n ALA 90 N -0.01 -0.27 -3.16 -1.39 0.00 -1.26 -4.93 120.51 109.49 1gec n ALA 90 Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 1gec n ALA 90 Cb 0.10 -1.74 -0.10 0.00 0.00 0.00 0.00 19.45 17.71 1gec n ALA 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1gec s LYS 91 N -3.47 0.51 -0.21 0.00 -2.85 -1.26 -4.65 119.74 107.81 1gec s LYS 91 Ca 0.00 -0.17 -0.29 0.00 -1.00 0.00 0.00 55.97 54.51 1gec s LYS 91 Cb 0.00 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 1gec s LYS 91 CO 0.00 -0.12 1.12 -1.14 0.10 0.00 0.00 175.35 175.31 1gec s GLN 92 N -1.05 4.25 0.00 1.78 0.74 -1.26 -4.94 119.66 119.18 1gec s GLN 92 Ca -0.11 1.47 0.00 0.00 0.05 0.00 0.00 55.36 56.76 1gec s GLN 92 Cb -0.06 -3.68 0.00 0.00 1.10 0.00 0.00 33.01 30.37 1gec s GLN 92 CO 0.02 -0.65 0.00 0.94 -0.55 0.00 0.00 175.29 175.05 1gec n GLN 93 N 6.41 1.89 -2.74 1.67 -0.06 -1.26 -5.06 117.38 118.23 1gec n GLN 93 Ca 0.13 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.72 1gec n GLN 93 Cb 0.46 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.59 1gec n GLN 93 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1gec s THR 94 N 0.00 4.35 -0.17 1.69 -4.23 -1.26 -4.65 115.64 111.37 1gec s THR 94 Ca 0.00 2.07 -0.33 0.00 -1.18 0.00 0.00 61.69 62.25 1gec s THR 94 Cb 0.00 -4.32 -0.10 0.00 1.34 0.00 0.00 72.50 69.42 1gec s THR 94 CO 0.00 0.39 2.03 0.00 -0.54 0.00 0.00 174.62 176.50 1gec n ARG 96 N 7.50 2.50 -0.30 0.00 1.74 -1.26 -4.69 116.66 122.15 1gec n ARG 96 Ca 0.28 -2.30 0.08 0.00 -0.77 0.00 0.00 57.85 55.14 1gec n ARG 96 Cb 0.32 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.44 1gec n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gec h ALA 97 N 4.32 0.86 -0.07 7.54 0.00 -1.93 0.48 119.26 130.46 1gec h ALA 97 Ca 0.00 0.30 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 1gec h ALA 97 Cb 0.97 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1gec h ALA 97 CO 0.00 -0.46 -0.69 -0.91 0.00 0.00 0.00 179.25 177.19 1gec h ASN 98 N 0.05 0.37 1.31 0.00 2.35 -1.97 -1.68 115.58 116.02 1gec h ASN 98 Ca 0.48 -0.23 -0.11 0.00 -0.55 0.00 0.00 56.30 55.89 1gec h ASN 98 Cb 0.87 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 1gec h ASN 98 CO -0.80 0.94 -0.72 1.56 -1.65 0.00 0.00 177.43 176.76 1gec h GLN 99 N 0.22 0.00 0.00 0.81 7.50 -1.53 -3.36 115.11 118.75 1gec h GLN 99 Ca -0.02 0.00 -0.17 0.00 0.50 0.00 0.00 58.65 58.96 1gec h GLN 99 Cb 1.24 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.78 1gec h GLN 99 CO 0.11 0.38 -0.66 0.28 -1.50 0.00 0.00 178.83 177.44 1gec h VAL 100 N 0.00 1.41 0.00 -0.54 2.07 -0.13 -3.47 116.25 115.59 1gec h VAL 100 Ca -0.04 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1gec h VAL 100 Cb 1.38 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 1gec h VAL 100 CO 0.05 0.62 0.00 0.61 0.02 0.00 0.00 177.57 178.87 1gec n GLY 101 N 1.08 0.00 1.81 2.17 0.00 -1.13 -5.04 105.19 104.08 1gec n GLY 101 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1gec n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gec n GLY 102 N 0.00 -0.44 0.41 -0.02 0.00 -0.65 -4.84 105.19 99.65 1gec n GLY 102 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gec n GLY 102 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1gec n PRO 103 N 1.78 0.00 0.06 1.61 -0.01 -1.26 -5.07 135.00 132.12 1gec n PRO 103 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 1gec n PRO 103 Cb 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 33.50 33.35 1gec n PRO 103 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 1gec n LYS 104 N 0.50 0.00 -4.18 -0.52 5.02 -1.06 -4.91 118.16 113.02 1gec n LYS 104 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1gec n LYS 104 Cb 0.00 -0.35 -0.10 0.00 -0.02 0.00 0.00 35.03 34.56 1gec n LYS 104 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1gec s VAL 105 N -1.90 4.56 0.04 -0.18 1.01 -0.38 -4.88 120.40 118.66 1gec s VAL 105 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1gec s VAL 105 Cb 0.00 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1gec s VAL 105 CO 0.00 0.53 -0.10 -0.75 0.00 0.00 0.00 175.10 174.77 1gec s LYS 106 N -0.17 0.69 0.47 2.72 2.20 -1.26 0.48 119.74 124.87 1gec s LYS 106 Ca 0.06 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 55.00 1gec s LYS 106 Cb -0.12 -0.61 0.02 0.00 -1.51 0.00 0.00 37.83 35.61 1gec s LYS 106 CO 0.02 0.14 0.15 0.25 -0.36 0.00 0.00 175.35 175.55 1gec n THR 107 N 1.83 0.00 -0.50 3.43 -2.24 -1.24 -5.02 114.28 110.54 1gec n THR 107 Ca -0.19 -2.06 0.00 0.00 -2.27 0.00 0.00 64.05 59.52 1gec n THR 107 Cb 0.55 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1gec n THR 107 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1gec n ASN 108 N -1.52 0.55 -3.05 3.42 6.94 -0.65 -4.41 115.26 116.54 1gec n ASN 108 Ca -0.12 -1.05 -0.05 0.00 -0.02 0.00 0.00 54.58 53.33 1gec n ASN 108 Cb 0.57 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 38.01 1gec n ASN 108 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1gec n GLY 109 N -0.03 0.77 3.22 4.83 0.00 -0.88 -4.98 105.19 108.12 1gec n GLY 109 Ca 0.00 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 1gec n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gec s VAL 110 N -2.09 -0.07 0.04 1.61 0.11 -1.26 -1.33 120.40 117.41 1gec s VAL 110 Ca 0.20 0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.41 1gec s VAL 110 Cb -0.04 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 1gec s VAL 110 CO 0.08 0.05 -0.09 -0.83 -3.33 0.00 0.00 175.10 170.97 1gec s GLY 111 N 1.46 1.74 -0.12 6.54 0.00 0.20 -4.88 107.32 112.26 1gec s GLY 111 Ca -0.09 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.53 1gec s GLY 111 CO -0.12 -1.02 -0.17 -1.60 0.00 0.00 0.00 173.10 170.19 1gec s ARG 112 N -1.68 3.26 0.44 2.90 3.52 -1.26 -0.44 118.95 125.70 1gec s ARG 112 Ca 0.18 -0.75 -0.23 0.00 -0.13 0.00 0.00 55.73 54.80 1gec s ARG 112 Cb -0.11 -2.52 -0.08 0.00 -1.56 0.00 0.00 34.95 30.68 1gec s ARG 112 CO 0.09 0.18 1.14 0.08 -0.81 0.00 0.00 175.30 175.98 1gec s VAL 113 N 0.39 3.26 0.12 7.11 1.01 0.15 -4.94 120.40 127.51 1gec s VAL 113 Ca -0.13 0.96 -0.31 0.00 0.00 0.00 0.00 61.98 62.50 1gec s VAL 113 Cb -0.17 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 1gec s VAL 113 CO 0.06 -0.00 1.73 -1.58 0.00 0.00 0.00 175.10 175.31 1gec s GLN 114 N -2.62 4.16 0.57 2.72 0.74 -1.26 -4.65 119.66 119.32 1gec s GLN 114 Ca 0.62 2.49 -0.17 0.00 0.05 0.00 0.00 55.36 58.35 1gec s GLN 114 Cb -0.27 -3.47 -0.04 0.00 1.10 0.00 0.00 33.01 30.32 1gec s GLN 114 CO 0.33 -0.77 1.07 -1.54 -0.55 0.00 0.00 175.29 173.83 1gec s SER 115 N 2.23 5.78 -1.29 6.67 1.04 -1.26 -4.15 113.70 122.72 1gec s SER 115 Ca 0.77 1.93 -0.02 0.00 0.48 0.00 0.00 55.95 59.11 1gec s SER 115 Cb -0.44 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.13 1gec s SER 115 CO 0.34 -1.17 0.85 0.59 0.98 0.00 0.00 173.24 174.83 1gec n ASN 116 N -1.76 -2.03 -3.32 7.02 4.13 0.01 -4.98 115.26 114.34 1gec n ASN 116 Ca 0.10 -0.73 -0.04 0.00 1.68 0.00 0.00 54.58 55.58 1gec n ASN 116 Cb 0.52 -4.48 -0.05 0.00 -1.54 0.00 0.00 39.78 34.23 1gec n ASN 116 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1gec s ASN 117 N -4.23 -0.43 0.18 6.41 3.84 -1.23 -4.68 114.94 114.80 1gec s ASN 117 Ca 0.08 0.57 -0.17 0.00 0.21 0.00 0.00 52.86 53.56 1gec s ASN 117 Cb -0.04 1.55 0.14 0.00 -0.55 0.00 0.00 41.25 42.36 1gec s ASN 117 CO 0.78 -0.28 1.64 -0.08 -2.79 0.00 0.00 177.10 176.37 1gec h GLU 118 N 8.11 -0.06 -0.30 0.43 4.81 -1.93 -2.99 114.58 122.66 1gec h GLU 118 Ca -0.20 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1gec h GLU 118 Cb 1.15 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 1gec h GLU 118 CO 0.25 -0.04 -0.17 0.78 -0.73 0.00 0.00 179.01 179.10 1gec h GLY 119 N -0.06 0.05 1.09 1.92 0.00 -1.97 -1.90 103.07 102.19 1gec h GLY 119 Ca 0.23 0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 1gec h GLY 119 CO -0.52 -0.18 0.39 1.76 0.00 0.00 0.00 176.54 177.99 1gec h SER 120 N -0.13 1.07 -0.45 0.19 0.02 -1.87 -2.11 113.55 110.26 1gec h SER 120 Ca 0.16 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1gec h SER 120 Cb 0.37 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1gec h SER 120 CO -0.39 0.90 0.24 0.25 -1.14 0.00 0.00 176.83 176.70 1gec h LEU 121 N 1.17 0.57 -0.37 5.07 5.85 -1.26 -1.48 115.31 124.85 1gec h LEU 121 Ca 0.28 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1gec h LEU 121 Cb 0.12 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1gec h LEU 121 CO -0.04 0.50 0.12 -0.07 -0.34 0.00 0.00 178.44 178.62 1gec h LEU 122 N 0.59 0.54 -1.42 2.25 4.07 -1.26 -0.67 115.31 119.41 1gec h LEU 122 Ca 0.16 -0.20 0.08 0.00 0.08 0.00 0.00 57.88 57.99 1gec h LEU 122 Cb 0.07 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 41.62 1gec h LEU 122 CO -0.02 0.60 0.47 -1.13 -1.08 0.00 0.00 178.44 177.28 1gec h ASN 123 N 0.45 0.60 0.51 -0.43 -1.24 -1.13 0.16 115.58 114.51 1gec h ASN 123 Ca 0.12 0.01 -0.23 0.00 0.71 0.00 0.00 56.30 56.91 1gec h ASN 123 Cb 0.25 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.18 1gec h ASN 123 CO -0.00 0.38 -0.99 0.00 -1.29 0.00 0.00 177.43 175.52 1gec h ALA 124 N 1.63 0.35 -0.35 1.57 0.00 -0.95 -3.24 119.26 118.27 1gec h ALA 124 Ca 0.32 -0.76 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 1gec h ALA 124 Cb 0.35 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1gec h ALA 124 CO -0.11 0.90 -0.45 0.82 0.00 0.00 0.00 179.25 180.41 1gec h ILE 125 N 0.14 1.27 -0.01 0.00 2.04 -0.61 -2.21 117.51 118.13 1gec h ILE 125 Ca -0.08 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.15 1gec h ILE 125 Cb 1.66 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1gec h ILE 125 CO 0.16 0.54 0.29 0.00 0.00 0.00 0.00 178.15 179.14 1gec h ALA 126 N 0.74 1.30 0.00 1.87 0.00 -0.73 -0.92 119.26 121.52 1gec h ALA 126 Ca 0.04 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1gec h ALA 126 Cb 1.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1gec h ALA 126 CO 0.11 -0.29 -1.96 0.72 0.00 0.00 0.00 179.25 177.83 1gec n HIS 127 N -2.93 0.00 0.00 0.00 8.25 -0.88 -4.91 115.22 114.76 1gec n HIS 127 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1gec n HIS 127 Cb 0.34 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1gec n HIS 127 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gec n GLN 128 N -2.30 -0.01 -2.03 -0.41 10.64 -0.35 -5.06 117.38 117.86 1gec n GLN 128 Ca -0.11 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.65 1gec n GLN 128 Cb 0.66 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 30.02 1gec n GLN 128 CO 0.00 0.00 0.00 -2.14 -1.83 0.00 0.00 177.06 173.09 1gec s PRO 129 N -2.00 4.29 0.06 2.61 0.02 -1.26 -3.96 135.00 134.75 1gec s PRO 129 Ca 0.00 2.29 0.08 0.00 0.02 0.00 0.00 61.00 63.39 1gec s PRO 129 Cb 0.00 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.40 1gec s PRO 129 CO 0.00 -0.34 -0.20 0.08 -0.33 0.00 0.00 177.00 176.21 1gec s VAL 130 N -0.53 2.66 -0.32 3.83 1.01 -1.11 -4.76 120.40 121.18 1gec s VAL 130 Ca 0.55 -1.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 1gec s VAL 130 Cb -0.41 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 1gec s VAL 130 CO 0.49 0.30 0.68 -0.55 0.00 0.00 0.00 175.10 176.01 1gec s SER 131 N -1.54 6.52 0.32 3.32 0.15 0.58 -0.67 113.70 122.39 1gec s SER 131 Ca 0.15 0.40 0.10 0.00 0.70 0.00 0.00 55.95 57.29 1gec s SER 131 Cb -0.10 -2.35 -0.05 0.00 -1.71 0.00 0.00 66.02 61.80 1gec s SER 131 CO 0.05 -0.56 -0.07 -0.69 1.20 0.00 0.00 173.24 173.17 1gec s VAL 132 N 2.76 2.58 0.11 4.45 1.01 0.40 -1.15 120.40 130.56 1gec s VAL 132 Ca 0.27 -2.14 0.09 0.00 0.00 0.00 0.00 61.98 60.19 1gec s VAL 132 Cb -0.14 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1gec s VAL 132 CO 0.13 -0.27 -0.16 0.54 0.00 0.00 0.00 175.10 175.34 1gec s VAL 133 N -2.52 2.95 0.05 2.92 0.11 -1.23 -0.04 120.40 122.64 1gec s VAL 133 Ca 0.33 -1.45 -0.17 0.00 -2.93 0.00 0.00 61.98 57.75 1gec s VAL 133 Cb -0.01 -2.36 0.03 0.00 -1.53 0.00 0.00 36.38 32.51 1gec s VAL 133 CO 0.17 0.10 0.38 0.68 -3.33 0.00 0.00 175.10 173.11 1gec s VAL 134 N -1.16 0.07 -0.33 2.04 -7.23 0.16 -3.94 120.40 110.01 1gec s VAL 134 Ca 0.19 -0.54 -0.21 0.00 -1.81 0.00 0.00 61.98 59.61 1gec s VAL 134 Cb -0.11 -0.98 -0.00 0.00 0.56 0.00 0.00 36.38 35.86 1gec s VAL 134 CO 0.11 -0.30 0.68 -0.70 -0.31 0.00 0.00 175.10 174.58 1gec s GLU 135 N -2.65 3.82 0.00 4.82 2.12 -0.32 -1.46 118.70 125.02 1gec s GLU 135 Ca -0.04 0.27 0.14 0.00 0.36 0.00 0.00 54.97 55.70 1gec s GLU 135 Cb -0.00 -3.77 -0.09 0.00 0.26 0.00 0.00 34.13 30.53 1gec s GLU 135 CO -0.04 -0.68 0.68 -1.13 -0.54 0.00 0.00 175.26 173.54 1gec n SER 136 N 6.07 1.00 -0.31 -1.70 3.41 -1.26 -4.72 113.62 116.11 1gec n SER 136 Ca 0.00 -1.00 0.10 0.00 -0.26 0.00 0.00 58.87 57.71 1gec n SER 136 Cb 0.49 0.79 0.26 0.00 -0.26 0.00 0.00 64.21 65.49 1gec n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gec h ALA 137 N 2.21 1.41 -2.27 7.33 0.00 -1.90 -3.39 119.26 122.65 1gec h ALA 137 Ca 0.00 0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.47 1gec h ALA 137 Cb 0.40 -0.00 0.21 0.00 0.00 0.00 0.00 17.79 18.39 1gec h ALA 137 CO 0.00 -0.13 -0.36 0.41 0.00 0.00 0.00 179.25 179.18 1gec n GLY 138 N -1.33 -1.53 0.15 0.00 0.00 -1.26 -4.89 105.19 96.34 1gec n GLY 138 Ca 0.20 -0.67 0.03 0.00 0.00 0.00 0.00 46.02 45.58 1gec n GLY 138 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gec h ARG 139 N -1.37 0.00 -0.00 1.61 3.08 -1.87 -1.91 114.38 113.91 1gec h ARG 139 Ca -0.44 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.43 1gec h ARG 139 Cb 1.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 1gec h ARG 139 CO 0.37 0.49 -0.84 -0.44 -1.07 0.00 0.00 179.97 178.49 1gec h ASP 140 N 0.00 0.15 0.06 7.04 3.32 -1.92 0.24 116.42 125.32 1gec h ASP 140 Ca -0.00 -0.12 -0.22 0.00 0.02 0.00 0.00 57.03 56.70 1gec h ASP 140 Cb 1.21 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 40.73 1gec h ASP 140 CO 0.06 0.92 -0.89 0.15 -1.72 0.00 0.00 179.24 177.76 1gec h PHE 141 N 0.07 0.78 -0.44 4.55 3.04 -1.83 -2.76 116.94 120.34 1gec h PHE 141 Ca -0.03 -0.47 0.00 0.00 3.98 0.00 0.00 57.97 61.46 1gec h PHE 141 Cb 1.45 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.87 1gec h PHE 141 CO 0.02 1.31 0.28 0.37 -2.02 0.00 0.00 178.31 178.27 1gec h GLN 142 N 0.02 0.58 -0.66 1.11 4.15 -1.23 -2.93 115.11 116.16 1gec h GLN 142 Ca -0.13 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1gec h GLN 142 Cb 1.61 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.17 1gec h GLN 142 CO 0.17 0.40 0.00 0.09 -1.93 0.00 0.00 178.83 177.57 1gec n ASN 143 N -4.77 4.86 -4.71 -0.69 3.02 0.84 -4.95 115.26 108.86 1gec n ASN 143 Ca 0.01 -2.49 -0.42 0.00 -0.03 0.00 0.00 54.58 51.65 1gec n ASN 143 Cb 0.03 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.58 1gec n ASN 143 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1gec s TYR 144 N -1.94 2.85 0.00 3.10 5.04 -1.04 -4.89 117.35 120.47 1gec s TYR 144 Ca 0.52 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 1gec s TYR 144 Cb 0.34 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.66 1gec s TYR 144 CO 0.24 -3.74 0.64 1.63 -1.34 0.00 0.00 175.55 172.98 1gec n LYS 145 N 4.41 1.01 0.00 4.97 4.76 -1.26 -1.58 118.16 130.46 1gec n LYS 145 Ca 0.15 -0.82 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 1gec n LYS 145 Cb 0.38 -0.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.88 1gec n LYS 145 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gec n GLY 146 N -0.17 3.96 0.00 0.72 0.00 -1.26 -3.87 105.19 104.56 1gec n GLY 146 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1gec n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gec n GLY 147 N -1.12 -1.41 3.44 -0.02 0.00 -1.26 -4.91 105.19 99.91 1gec n GLY 147 Ca 0.00 -2.09 -0.44 0.00 0.00 0.00 0.00 46.02 43.50 1gec n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gec s ILE 148 N 0.00 4.70 -0.42 -0.61 1.01 -1.26 -3.81 121.20 120.81 1gec s ILE 148 Ca 0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 60.65 59.93 1gec s ILE 148 Cb 0.00 -4.44 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 1gec s ILE 148 CO 0.00 -1.02 2.19 0.12 0.00 0.00 0.00 174.94 176.23 1gec s PHE 149 N 3.08 1.29 -0.12 3.97 5.36 0.21 -4.63 117.98 127.15 1gec s PHE 149 Ca 0.18 1.06 0.14 0.00 -0.96 0.00 0.00 56.93 57.35 1gec s PHE 149 Cb -0.19 -3.83 0.01 0.00 -0.34 0.00 0.00 43.02 38.68 1gec s PHE 149 CO 0.12 -2.94 1.36 0.93 -1.46 0.00 0.00 175.22 173.22 1gec h GLU 150 N 16.80 0.00 0.00 10.12 3.07 -1.93 0.81 114.58 143.45 1gec h GLU 150 Ca -0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1gec h GLU 150 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1gec h GLU 150 CO 1.10 0.54 0.00 0.41 -1.40 0.00 0.00 179.01 179.67 1gec n GLY 151 N 1.26 0.40 0.00 -3.84 0.00 -1.26 -4.86 105.19 96.89 1gec n GLY 151 Ca 0.01 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1gec n GLY 151 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gec n SER 152 N 0.00 0.00 -3.85 1.61 2.88 -1.26 -4.89 113.62 108.11 1gec n SER 152 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1gec n SER 152 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1gec n SER 152 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gec n GLY 154 N 1.14 1.86 0.28 0.00 0.00 -1.26 -4.67 105.19 102.54 1gec n GLY 154 Ca -0.21 -1.91 0.08 0.00 0.00 0.00 0.00 46.02 43.98 1gec n GLY 154 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gec n THR 155 N 0.00 1.83 -2.20 2.61 -2.24 -1.26 -3.84 114.28 109.17 1gec n THR 155 Ca 0.00 -1.97 -0.42 0.00 -2.27 0.00 0.00 64.05 59.39 1gec n THR 155 Cb 0.00 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1gec n THR 155 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1gec n LYS 156 N -1.02 3.39 -1.40 -0.78 2.85 -1.26 -4.69 118.16 115.25 1gec n LYS 156 Ca 0.15 -3.28 -0.42 0.00 -1.05 0.00 0.00 58.31 53.71 1gec n LYS 156 Cb 0.64 -3.04 0.01 0.00 -0.65 0.00 0.00 35.03 31.98 1gec n LYS 156 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1gec n VAL 157 N 3.94 1.42 -2.00 0.58 0.24 -1.26 -4.56 118.33 116.70 1gec n VAL 157 Ca 0.43 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1gec n VAL 157 Cb 0.38 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 1gec n VAL 157 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1gec n ASP 158 N 1.59 0.00 -3.67 -1.34 5.68 -0.53 -4.83 116.55 113.45 1gec n ASP 158 Ca 0.11 -1.06 -0.11 0.00 -0.50 0.00 0.00 54.79 53.24 1gec n ASP 158 Cb 0.40 -0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 40.28 1gec n ASP 158 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1gec s HIS 159 N 0.00 -0.77 -0.25 2.11 5.04 -0.66 -4.87 115.29 115.89 1gec s HIS 159 Ca 0.00 1.66 -0.11 0.00 -1.54 0.00 0.00 55.06 55.08 1gec s HIS 159 Cb 0.00 0.37 -0.05 0.00 0.04 0.00 0.00 32.58 32.94 1gec s HIS 159 CO 0.00 -0.39 0.17 0.00 -2.34 0.00 0.00 174.74 172.18 1gec s ALA 160 N 1.06 3.58 0.42 1.58 0.00 -1.26 -0.66 121.76 126.49 1gec s ALA 160 Ca -0.06 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 50.99 1gec s ALA 160 Cb -0.06 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1gec s ALA 160 CO -0.10 -0.29 0.12 0.14 0.00 0.00 0.00 175.76 175.63 1gec s VAL 161 N 1.25 0.62 -0.24 0.00 -7.23 0.95 -4.57 120.40 111.18 1gec s VAL 161 Ca 0.07 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 1gec s VAL 161 Cb -0.14 -2.31 0.04 0.00 0.56 0.00 0.00 36.38 34.54 1gec s VAL 161 CO 0.06 0.00 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.83 1gec s THR 162 N -3.16 2.23 -0.51 5.32 2.01 -0.82 -0.45 115.64 120.26 1gec s THR 162 Ca 0.21 -1.35 -0.28 0.00 0.31 0.00 0.00 61.69 60.58 1gec s THR 162 Cb 0.02 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.35 1gec s THR 162 CO 0.14 0.17 1.51 0.00 -0.69 0.00 0.00 174.62 175.74 1gec s ALA 163 N 1.19 2.79 -2.39 7.40 0.00 0.16 0.37 121.76 131.27 1gec s ALA 163 Ca -0.04 -0.46 0.20 0.00 0.00 0.00 0.00 51.96 51.66 1gec s ALA 163 Cb -0.17 -4.08 0.19 0.00 0.00 0.00 0.00 23.12 19.06 1gec s ALA 163 CO -0.07 -2.90 1.16 1.33 0.00 0.00 0.00 175.76 175.27 1gec n VAL 164 N 7.01 0.10 0.00 0.00 0.24 0.17 -2.74 118.33 123.10 1gec n VAL 164 Ca 0.15 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1gec n VAL 164 Cb 0.49 1.32 0.00 0.00 -1.47 0.00 0.00 33.84 34.18 1gec n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gec n GLY 165 N 1.13 -0.59 3.73 7.63 0.00 -1.12 -2.13 105.19 113.84 1gec n GLY 165 Ca 0.12 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 1gec n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1gec s TYR 166 N -2.00 -0.29 -0.44 1.61 -0.85 -0.77 0.27 117.35 114.89 1gec s TYR 166 Ca 0.00 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.45 1gec s TYR 166 Cb 0.00 0.66 0.00 0.00 0.38 0.00 0.00 41.96 43.00 1gec s TYR 166 CO 0.00 -1.11 0.00 0.41 -1.52 0.00 0.00 175.55 173.33 1gec n GLY 167 N -0.44 -0.69 2.86 5.49 0.00 -0.97 -1.45 105.19 109.99 1gec n GLY 167 Ca -0.08 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 1gec n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gec s LYS 168 N -0.18 -0.00 -0.20 1.61 3.01 -1.26 -0.82 119.74 121.90 1gec s LYS 168 Ca 0.00 0.05 -0.04 0.00 -1.01 0.00 0.00 55.97 54.97 1gec s LYS 168 Cb 0.00 -0.05 0.10 0.00 -1.01 0.00 0.00 37.83 36.87 1gec s LYS 168 CO 0.00 -0.04 0.32 0.45 0.51 0.00 0.00 175.35 176.59 1gec s SER 169 N 0.24 0.50 -0.71 2.83 0.15 -0.66 -4.90 113.70 111.15 1gec s SER 169 Ca -0.02 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.90 1gec s SER 169 Cb -0.03 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 1gec s SER 169 CO -0.01 -0.29 0.09 0.61 1.20 0.00 0.00 173.24 174.85 1gec n GLY 170 N 5.35 0.07 0.24 9.45 0.00 -1.26 -3.02 105.19 116.03 1gec n GLY 170 Ca -0.05 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1gec n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gec n GLY 171 N -1.03 3.14 3.86 -0.02 0.00 -1.26 -5.04 105.19 104.84 1gec n GLY 171 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1gec n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gec s LYS 172 N -0.31 3.39 0.35 1.61 1.02 -1.17 -5.09 119.74 119.53 1gec s LYS 172 Ca 0.00 -0.20 -0.10 0.00 0.02 0.00 0.00 55.97 55.69 1gec s LYS 172 Cb 0.00 -3.13 -0.07 0.00 -0.52 0.00 0.00 37.83 34.12 1gec s LYS 172 CO 0.00 0.75 0.70 0.20 -0.92 0.00 0.00 175.35 176.08 1gec s GLY 173 N -1.21 2.03 0.20 -3.33 0.00 -1.26 -1.66 107.32 102.10 1gec s GLY 173 Ca 0.17 -0.24 -0.10 0.00 0.00 0.00 0.00 44.72 44.56 1gec s GLY 173 CO 0.07 -0.06 0.35 -2.52 0.00 0.00 0.00 173.10 170.94 1gec s TYR 174 N -2.19 0.44 -0.15 1.90 -0.85 -0.00 -2.29 117.35 114.21 1gec s TYR 174 Ca 0.50 -0.79 0.01 0.00 -0.52 0.00 0.00 57.07 56.27 1gec s TYR 174 Cb -0.10 0.00 -0.00 0.00 0.38 0.00 0.00 41.96 42.24 1gec s TYR 174 CO 0.28 -0.82 -0.16 0.42 -1.52 0.00 0.00 175.55 173.74 1gec s ILE 175 N -4.00 2.59 -0.28 -3.49 -1.09 -0.47 -2.28 121.20 112.18 1gec s ILE 175 Ca 0.21 -0.80 -0.22 0.00 -2.23 0.00 0.00 60.65 57.61 1gec s ILE 175 Cb 0.02 -2.08 -0.01 0.00 -1.58 0.00 0.00 42.46 38.81 1gec s ILE 175 CO 0.05 0.52 0.72 -0.22 -1.23 0.00 0.00 174.94 174.78 1gec s LEU 176 N 0.76 4.09 -0.05 2.97 2.96 0.14 -1.87 118.68 127.68 1gec s LEU 176 Ca -0.07 0.70 0.06 0.00 -0.22 0.00 0.00 54.13 54.61 1gec s LEU 176 Cb -0.15 -2.98 -0.01 0.00 0.50 0.00 0.00 46.19 43.54 1gec s LEU 176 CO 0.01 -0.50 -0.25 -0.63 -1.32 0.00 0.00 176.35 173.66 1gec s ILE 177 N 2.73 2.00 -0.32 6.68 1.01 0.31 0.43 121.20 134.03 1gec s ILE 177 Ca 0.30 -1.05 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 1gec s ILE 177 Cb -0.15 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 1gec s ILE 177 CO 0.10 0.56 0.51 -0.75 0.00 0.00 0.00 174.94 175.36 1gec s LYS 178 N -0.26 3.76 0.29 2.79 2.20 0.16 -1.42 119.74 127.25 1gec s LYS 178 Ca -0.00 -0.03 0.05 0.00 -0.36 0.00 0.00 55.97 55.63 1gec s LYS 178 Cb -0.13 -3.76 -0.02 0.00 -1.51 0.00 0.00 37.83 32.41 1gec s LYS 178 CO 0.02 -0.55 0.43 1.21 -0.36 0.00 0.00 175.35 176.10 1gec s ASN 179 N 1.70 6.22 -0.41 1.43 2.47 -0.99 -1.94 114.94 123.42 1gec s ASN 179 Ca 0.19 0.08 0.05 0.00 0.42 0.00 0.00 52.86 53.60 1gec s ASN 179 Cb -0.15 -1.73 0.43 0.00 -1.45 0.00 0.00 41.25 38.35 1gec s ASN 179 CO 0.12 -0.21 1.22 -1.54 -3.72 0.00 0.00 177.10 172.97 1gec n SER 180 N -1.55 5.06 -0.75 -4.21 3.41 -1.26 -4.57 113.62 109.76 1gec n SER 180 Ca -0.06 -3.74 0.04 0.00 -0.26 0.00 0.00 58.87 54.85 1gec n SER 180 Cb 0.57 -0.47 0.20 0.00 -0.26 0.00 0.00 64.21 64.26 1gec n SER 180 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1gec n TRP 181 N -0.59 0.62 0.00 7.33 8.01 -1.20 -2.17 117.44 129.45 1gec n TRP 181 Ca 0.43 -1.25 0.00 0.00 -1.31 0.00 0.00 57.50 55.36 1gec n TRP 181 Cb 0.75 -0.33 0.00 0.00 -2.01 0.00 0.00 31.31 29.73 1gec n TRP 181 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1gec n GLY 182 N -1.03 -1.73 0.10 6.99 0.00 -0.24 -4.49 105.19 104.79 1gec n GLY 182 Ca 0.24 -1.53 0.11 0.00 0.00 0.00 0.00 46.02 44.84 1gec n GLY 182 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gec n PRO 183 N -2.13 0.16 -0.07 1.61 -0.04 -1.26 -3.30 135.00 129.96 1gec n PRO 183 Ca 0.00 0.35 0.02 0.00 -0.04 0.00 0.00 63.50 63.83 1gec n PRO 183 Cb 0.00 -1.78 0.06 0.00 -0.04 0.00 0.00 33.50 31.73 1gec n PRO 183 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gec n GLY 184 N 0.23 -0.21 3.44 0.55 0.00 -1.26 -2.83 105.19 105.12 1gec n GLY 184 Ca 0.03 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1gec n GLY 184 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1gec s TRP 185 N -1.78 2.48 0.00 1.61 -0.00 -1.21 -4.94 118.94 115.09 1gec s TRP 185 Ca 0.08 -0.30 0.00 0.00 -0.00 0.00 0.00 56.10 55.88 1gec s TRP 185 Cb 0.05 -1.37 0.00 0.00 -0.00 0.00 0.00 33.47 32.15 1gec s TRP 185 CO 0.05 0.31 0.00 0.41 -0.00 0.00 0.00 176.95 177.72 1gec n GLY 186 N 1.15 0.85 3.10 5.86 0.00 -0.62 0.84 105.19 116.37 1gec n GLY 186 Ca -0.16 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 1gec n GLY 186 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gec n GLU 187 N 0.00 2.31 -3.26 1.61 1.02 0.21 -4.08 120.64 118.45 1gec n GLU 187 Ca 0.00 -2.45 -0.17 0.00 -0.02 0.00 0.00 57.16 54.52 1gec n GLU 187 Cb 0.00 -3.26 0.06 0.00 -0.02 0.00 0.00 31.44 28.22 1gec n GLU 187 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1gec n ASN 188 N 8.00 -4.21 0.00 1.62 3.02 -1.21 -2.82 115.26 119.65 1gec n ASN 188 Ca 0.50 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1gec n ASN 188 Cb 0.42 -4.02 0.00 0.00 -0.61 0.00 0.00 39.78 35.56 1gec n ASN 188 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gec n GLY 189 N -1.47 1.21 3.76 7.41 0.00 0.25 -4.66 105.19 111.68 1gec n GLY 189 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1gec n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gec s TYR 190 N -2.84 3.02 -0.04 1.61 2.02 -1.13 -2.35 117.35 117.64 1gec s TYR 190 Ca 0.00 -0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 56.58 1gec s TYR 190 Cb 0.00 -1.41 0.03 0.00 -0.40 0.00 0.00 41.96 40.18 1gec s TYR 190 CO 0.00 0.53 0.09 -1.50 -1.57 0.00 0.00 175.55 173.11 1gec s ILE 191 N -1.94 -0.03 -0.37 2.71 2.07 -0.51 -0.62 121.20 122.51 1gec s ILE 191 Ca 0.31 0.12 -0.12 0.00 -1.41 0.00 0.00 60.65 59.55 1gec s ILE 191 Cb -0.09 -0.16 0.01 0.00 0.13 0.00 0.00 42.46 42.35 1gec s ILE 191 CO 0.22 0.05 0.23 -0.13 -1.91 0.00 0.00 174.94 173.41 1gec s ARG 192 N 0.74 3.12 -0.12 3.50 0.52 -1.25 -0.53 118.95 124.93 1gec s ARG 192 Ca -0.06 -0.89 -0.06 0.00 -0.52 0.00 0.00 55.73 54.20 1gec s ARG 192 Cb -0.08 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.56 1gec s ARG 192 CO -0.03 -0.60 0.10 0.42 0.02 0.00 0.00 175.30 175.20 1gec s ILE 193 N 1.64 5.14 0.44 1.52 1.01 -0.78 0.66 121.20 130.84 1gec s ILE 193 Ca 0.04 0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.52 1gec s ILE 193 Cb -0.18 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 38.97 1gec s ILE 193 CO 0.09 0.60 1.28 -1.14 0.00 0.00 0.00 174.94 175.77 1gec n ARG 194 N 2.16 1.91 -4.06 2.79 0.00 0.28 -1.37 116.66 118.38 1gec n ARG 194 Ca -0.19 0.68 -0.36 0.00 -0.00 0.00 0.00 57.85 57.98 1gec n ARG 194 Cb 0.54 -2.42 -0.08 0.00 0.00 0.00 0.00 32.46 30.51 1gec n ARG 194 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1gec s ARG 195 N -2.30 3.46 2.69 -0.14 3.52 -0.97 -4.43 118.95 120.79 1gec s ARG 195 Ca 0.62 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.95 1gec s ARG 195 Cb -0.49 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 1gec s ARG 195 CO 0.57 0.62 0.00 0.00 -0.81 0.00 0.00 175.30 175.68 1gec n ALA 196 N 2.46 0.00 -2.43 6.12 0.00 -1.26 -4.86 120.51 120.54 1gec n ALA 196 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 1gec n ALA 196 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1gec n ALA 196 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1gec n SER 197 N 6.25 -2.33 0.00 0.00 7.64 -1.26 -4.06 113.62 119.87 1gec n SER 197 Ca 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1gec n SER 197 Cb 0.00 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 1gec n SER 197 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gec n GLY 198 N -0.84 2.15 3.57 0.23 0.00 -1.26 -4.90 105.19 104.14 1gec n GLY 198 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1gec n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gec s ASN 199 N 0.00 5.63 0.08 1.61 4.22 -1.26 -5.02 114.94 120.20 1gec s ASN 199 Ca 0.00 -0.03 0.27 0.00 -2.14 0.00 0.00 52.86 50.96 1gec s ASN 199 Cb 0.00 -2.01 1.06 0.00 1.28 0.00 0.00 41.25 41.58 1gec s ASN 199 CO 0.00 0.04 1.85 -1.20 -2.04 0.00 0.00 177.10 175.74 1gec n SER 200 N 4.46 0.29 0.15 3.54 7.64 -1.26 -3.20 113.62 125.25 1gec n SER 200 Ca -0.16 0.53 0.13 0.00 1.01 0.00 0.00 58.87 60.38 1gec n SER 200 Cb 0.52 -0.61 0.52 0.00 -1.01 0.00 0.00 64.21 63.63 1gec n SER 200 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1gec h PRO 201 N 0.00 0.00 0.00 1.43 0.13 -1.89 -3.27 132.00 128.40 1gec h PRO 201 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1gec h PRO 201 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1gec h PRO 201 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 1gec n GLY 202 N 0.02 -0.96 3.70 1.56 0.00 -1.19 -0.78 105.19 107.54 1gec n GLY 202 Ca 0.02 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1gec n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gec s VAL 203 N -2.12 3.31 -1.92 1.61 1.01 -1.26 -2.03 120.40 119.01 1gec s VAL 203 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1gec s VAL 203 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1gec s VAL 203 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.12 1gec n GLY 205 N -0.75 -0.26 0.00 0.00 0.00 -0.86 -1.18 105.19 102.14 1gec n GLY 205 Ca -0.21 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.79 1gec n GLY 205 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1gec n VAL 206 N -4.19 0.75 0.42 1.61 3.14 -0.98 -2.30 118.33 116.79 1gec n VAL 206 Ca -0.11 0.19 0.12 0.00 -2.96 0.00 0.00 64.34 61.57 1gec n VAL 206 Cb 0.61 -0.90 0.22 0.00 -1.06 0.00 0.00 33.84 32.70 1gec n VAL 206 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1gec n TYR 207 N -1.44 0.45 0.07 1.45 4.01 0.04 -4.55 117.16 117.18 1gec n TYR 207 Ca 0.05 -0.22 -0.12 0.00 -0.16 0.00 0.00 57.90 57.45 1gec n TYR 207 Cb 0.18 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.13 1gec n TYR 207 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gec h ARG 208 N 4.38 -0.23 -2.89 -0.72 3.08 -1.53 0.08 114.38 116.55 1gec h ARG 208 Ca 0.00 0.02 -0.56 0.00 0.07 0.00 0.00 59.98 59.51 1gec h ARG 208 Cb 0.96 0.05 -0.40 0.00 0.08 0.00 0.00 29.97 30.67 1gec h ARG 208 CO 0.00 0.19 -0.79 0.45 -1.07 0.00 0.00 179.97 178.75 1gec s SER 209 N -5.41 3.49 -0.18 7.04 0.15 -1.26 -4.59 113.70 112.93 1gec s SER 209 Ca -0.13 -1.69 -0.00 0.00 0.70 0.00 0.00 55.95 54.82 1gec s SER 209 Cb 0.01 -0.51 0.01 0.00 -1.71 0.00 0.00 66.02 63.82 1gec s SER 209 CO 0.52 -0.39 -0.15 -0.44 1.20 0.00 0.00 173.24 173.98 1gec s SER 210 N 1.61 3.54 0.19 5.45 0.01 -1.26 -3.57 113.70 119.67 1gec s SER 210 Ca 0.12 -0.54 0.09 0.00 1.31 0.00 0.00 55.95 56.94 1gec s SER 210 Cb -0.19 -1.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 1gec s SER 210 CO -0.22 0.03 -0.19 -0.31 0.41 0.00 0.00 173.24 172.96 1gec s TYR 211 N 1.15 1.94 -0.07 2.43 2.02 -0.30 0.33 117.35 124.84 1gec s TYR 211 Ca 0.01 -0.45 -0.11 0.00 -0.37 0.00 0.00 57.07 56.14 1gec s TYR 211 Cb -0.14 -0.93 0.02 0.00 -0.40 0.00 0.00 41.96 40.51 1gec s TYR 211 CO -0.06 0.42 0.29 1.52 -1.57 0.00 0.00 175.55 176.15 1gec s TYR 212 N -2.25 -0.25 0.28 2.71 -0.85 0.42 -0.30 117.35 117.11 1gec s TYR 212 Ca 0.20 0.55 -0.29 0.00 -0.52 0.00 0.00 57.07 57.01 1gec s TYR 212 Cb -0.05 0.09 -0.09 0.00 0.38 0.00 0.00 41.96 42.29 1gec s TYR 212 CO 0.08 -0.24 1.04 -1.25 -1.52 0.00 0.00 175.55 173.66 1gec s PRO 213 N -0.43 4.66 -0.17 -3.49 0.04 -1.26 -0.62 135.00 133.72 1gec s PRO 213 Ca -0.05 1.65 -0.06 0.00 0.04 0.00 0.00 61.00 62.58 1gec s PRO 213 Cb -0.04 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 1gec s PRO 213 CO 0.02 0.28 0.02 0.42 0.04 0.00 0.00 177.00 177.78 1gec s ILE 214 N -1.24 4.41 -0.16 0.56 1.01 -0.45 -4.82 121.20 120.51 1gec s ILE 214 Ca 0.45 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.94 1gec s ILE 214 Cb -0.28 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.23 1gec s ILE 214 CO 0.36 0.47 -0.19 -0.75 0.00 0.00 0.00 174.94 174.83 1gec s LYS 215 N 0.40 2.85 0.00 2.79 2.20 -1.26 -1.64 119.74 125.09 1gec s LYS 215 Ca 0.00 -0.78 0.27 0.00 -0.36 0.00 0.00 55.97 55.10 1gec s LYS 215 Cb -0.13 -2.43 1.60 0.00 -1.51 0.00 0.00 37.83 35.36 1gec s LYS 215 CO 0.01 -0.15 1.95 0.09 -0.36 0.00 0.00 175.35 176.89