#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1m h ASP 23 N 0.00 0.45 -0.78 1.61 -0.00 -2.05 0.43 116.42 116.08 3g1m h ASP 23 Ca 0.00 -0.37 -0.00 0.00 -0.00 0.00 0.00 57.03 56.66 3g1m h ASP 23 Cb 0.00 -0.12 -0.04 0.00 -0.00 0.00 0.00 39.33 39.17 3g1m h ASP 23 CO 0.00 0.72 0.47 -2.24 -0.00 0.00 0.00 179.24 178.19 3g1m h ASP 24 N 0.19 0.94 -0.45 2.28 3.04 -2.05 0.36 116.42 120.73 3g1m h ASP 24 Ca 0.06 -0.05 -0.08 0.00 -3.24 0.00 0.00 57.03 53.72 3g1m h ASP 24 Cb 0.52 -0.24 -0.02 0.00 -1.04 0.00 0.00 39.33 38.55 3g1m h ASP 24 CO 0.02 0.72 -0.01 0.03 -2.04 0.00 0.00 179.24 177.96 3g1m h ARG 25 N 1.08 0.81 -0.41 4.15 3.08 -1.92 -1.42 114.38 119.75 3g1m h ARG 25 Ca 0.28 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3g1m h ARG 25 Cb -0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3g1m h ARG 25 CO -0.05 0.87 0.15 1.49 -1.07 0.00 0.00 179.97 181.36 3g1m h GLU 26 N 0.66 0.62 -0.77 0.04 4.81 -0.60 -2.10 114.58 117.24 3g1m h GLU 26 Ca 0.13 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3g1m h GLU 26 Cb 0.51 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 3g1m h GLU 26 CO 0.03 0.59 0.39 -0.07 -0.73 0.00 0.00 179.01 179.22 3g1m h LEU 27 N 0.52 0.98 -1.00 1.64 3.38 -0.26 -1.51 115.31 119.06 3g1m h LEU 27 Ca 0.14 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3g1m h LEU 27 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3g1m h LEU 27 CO -0.01 0.81 -0.07 0.00 0.09 0.00 0.00 178.44 179.27 3g1m h ALA 28 N 1.34 1.17 -0.13 1.53 0.00 -1.14 0.13 119.26 122.16 3g1m h ALA 28 Ca 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3g1m h ALA 28 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3g1m h ALA 28 CO -0.04 0.53 0.02 0.82 0.00 0.00 0.00 179.25 180.58 3g1m h ILE 29 N 0.60 1.22 -0.26 0.00 2.04 -0.93 -1.19 117.51 118.99 3g1m h ILE 29 Ca 0.11 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 3g1m h ILE 29 Cb 0.48 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3g1m h ILE 29 CO 0.03 0.21 0.15 -0.07 0.00 0.00 0.00 178.15 178.46 3g1m h LEU 30 N -0.01 0.32 -0.72 1.44 3.38 -1.05 -0.54 115.31 118.13 3g1m h LEU 30 Ca 0.04 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3g1m h LEU 30 Cb 0.30 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3g1m h LEU 30 CO 0.00 0.29 0.47 0.00 0.09 0.00 0.00 178.44 179.29 3g1m h ALA 31 N 1.04 0.92 -0.42 1.53 0.00 -0.73 -0.90 119.26 120.69 3g1m h ALA 31 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3g1m h ALA 31 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3g1m h ALA 31 CO -0.02 0.30 0.23 1.15 0.00 0.00 0.00 179.25 180.91 3g1m h THR 32 N 0.94 1.16 -0.35 0.00 2.02 -1.01 -1.34 112.91 114.33 3g1m h THR 32 Ca 0.27 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3g1m h THR 32 Cb -0.07 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3g1m h THR 32 CO -0.08 0.17 0.22 0.00 0.37 0.00 0.00 175.52 176.20 3g1m h ALA 33 N 1.08 0.44 -0.64 6.16 0.00 -0.66 0.01 119.26 125.64 3g1m h ALA 33 Ca 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3g1m h ALA 33 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3g1m h ALA 33 CO -0.02 -0.08 0.39 1.49 0.00 0.00 0.00 179.25 181.02 3g1m h GLU 34 N 0.46 0.87 -0.19 0.00 4.81 -1.05 -1.02 114.58 118.45 3g1m h GLU 34 Ca 0.13 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3g1m h GLU 34 Cb -0.02 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3g1m h GLU 34 CO -0.03 0.62 0.13 -0.91 -0.73 0.00 0.00 179.01 178.09 3g1m h ASN 35 N 0.87 0.22 0.38 1.04 2.35 -0.88 -2.96 115.58 116.59 3g1m h ASN 35 Ca 0.23 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.86 3g1m h ASN 35 Cb -0.03 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3g1m h ASN 35 CO -0.04 0.17 -0.49 -0.07 -1.65 0.00 0.00 177.43 175.35 3g1m h LEU 36 N 0.26 0.14 -2.04 1.61 3.38 -0.77 -2.95 115.31 114.93 3g1m h LEU 36 Ca 0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3g1m h LEU 36 Cb -0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3g1m h LEU 36 CO -0.02 0.61 -0.09 -0.07 0.09 0.00 0.00 178.44 178.96 3g1m h LEU 37 N 0.10 0.00 -1.53 1.67 3.38 -1.03 -1.20 115.31 116.71 3g1m h LEU 37 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3g1m h LEU 37 Cb 0.90 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 3g1m h LEU 37 CO 0.07 0.09 0.41 -0.33 0.09 0.00 0.00 178.44 178.76 3g1m h GLU 38 N 0.00 0.55 0.04 1.13 4.39 -1.42 -3.28 114.58 115.99 3g1m h GLU 38 Ca -0.00 -0.03 -0.35 0.00 0.34 0.00 0.00 59.36 59.32 3g1m h GLU 38 Cb 0.21 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 3g1m h GLU 38 CO 0.01 0.36 -2.08 -0.25 -1.16 0.00 0.00 179.01 175.89 3g1m n ASP 39 N -4.48 1.36 -3.79 1.42 8.00 -0.49 -5.03 116.55 113.54 3g1m n ASP 39 Ca 0.09 0.16 -0.10 0.00 0.71 0.00 0.00 54.79 55.65 3g1m n ASP 39 Cb 0.26 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.10 3g1m n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g1m s ARG 40 N -2.55 1.20 0.71 -1.24 1.70 -0.96 -5.17 118.95 112.65 3g1m s ARG 40 Ca -0.18 -0.94 -0.12 0.00 -0.47 0.00 0.00 55.73 54.03 3g1m s ARG 40 Cb 0.07 0.45 0.02 0.00 -0.57 0.00 0.00 34.95 34.93 3g1m s ARG 40 CO 0.76 -0.48 1.08 -2.14 -1.08 0.00 0.00 175.30 173.45 3g1m s PRO 41 N -3.89 2.66 0.30 3.89 0.02 -1.26 -4.24 135.00 132.48 3g1m s PRO 41 Ca 0.10 1.16 0.05 0.00 0.02 0.00 0.00 61.00 62.34 3g1m s PRO 41 Cb 0.01 -1.95 0.74 0.00 0.02 0.00 0.00 34.50 33.32 3g1m s PRO 41 CO -0.04 -1.33 1.76 1.25 -0.33 0.00 0.00 177.00 178.30 3g1m h LEU 42 N -0.60 0.69 -2.08 -5.54 5.85 -1.92 0.41 115.31 112.11 3g1m h LEU 42 Ca -0.45 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.43 3g1m h LEU 42 Cb 1.23 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3g1m h LEU 42 CO 0.54 0.21 0.14 0.00 -0.34 0.00 0.00 178.44 178.99 3g1m h ALA 43 N 1.66 2.06 -0.23 1.25 0.00 -2.02 0.09 119.26 122.07 3g1m h ALA 43 Ca 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3g1m h ALA 43 Cb 0.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3g1m h ALA 43 CO -0.41 -0.23 0.00 -0.25 0.00 0.00 0.00 179.25 178.36 3g1m n ASP 44 N -4.31 1.92 -4.39 0.00 9.92 0.12 -4.80 116.55 115.02 3g1m n ASP 44 Ca 0.01 -1.79 -0.34 0.00 -0.53 0.00 0.00 54.79 52.15 3g1m n ASP 44 Cb 0.27 -0.15 -0.14 0.00 -0.64 0.00 0.00 41.12 40.47 3g1m n ASP 44 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3g1m s ILE 45 N -1.71 3.37 0.32 0.53 1.01 0.02 -4.94 121.20 119.80 3g1m s ILE 45 Ca 0.32 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.46 3g1m s ILE 45 Cb 0.17 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 3g1m s ILE 45 CO 0.25 0.49 0.49 -0.94 0.00 0.00 0.00 174.94 175.24 3g1m s SER 46 N 0.68 6.30 0.25 3.58 1.04 -1.26 -4.95 113.70 119.33 3g1m s SER 46 Ca -0.04 0.33 -0.04 0.00 0.48 0.00 0.00 55.95 56.69 3g1m s SER 46 Cb -0.15 -1.97 0.40 0.00 0.10 0.00 0.00 66.02 64.39 3g1m s SER 46 CO 0.02 -0.23 1.84 0.58 0.98 0.00 0.00 173.24 176.43 3g1m h VAL 47 N 0.87 0.98 -0.65 5.02 2.07 -1.99 -1.23 116.25 121.32 3g1m h VAL 47 Ca -0.50 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 66.81 3g1m h VAL 47 Cb 1.22 -0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 3g1m h VAL 47 CO 0.61 0.17 0.23 -0.78 0.02 0.00 0.00 177.57 177.83 3g1m h ASP 48 N 0.93 0.21 -0.35 0.57 3.58 -1.97 0.39 116.42 119.79 3g1m h ASP 48 Ca 0.41 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.99 3g1m h ASP 48 Cb 0.29 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 3g1m h ASP 48 CO -0.21 0.12 0.10 0.44 -2.88 0.00 0.00 179.24 176.80 3g1m h ASP 49 N 0.40 0.08 -0.38 2.28 3.32 -1.63 -0.82 116.42 119.67 3g1m h ASP 49 Ca 0.33 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.39 3g1m h ASP 49 Cb 0.45 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3g1m h ASP 49 CO -0.34 0.08 0.07 -0.07 -1.72 0.00 0.00 179.24 177.26 3g1m h LEU 50 N 0.24 0.61 -0.23 1.55 3.38 -0.87 -1.57 115.31 118.40 3g1m h LEU 50 Ca 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3g1m h LEU 50 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3g1m h LEU 50 CO -0.19 0.71 0.11 0.00 0.09 0.00 0.00 178.44 179.16 3g1m h ALA 51 N 0.92 0.30 -0.36 1.53 0.00 -0.80 -1.41 119.26 119.45 3g1m h ALA 51 Ca 0.12 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3g1m h ALA 51 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3g1m h ALA 51 CO 0.01 -0.12 0.22 -0.22 0.00 0.00 0.00 179.25 179.13 3g1m h LYS 52 N 0.24 0.44 -0.39 0.00 3.64 -1.11 0.44 116.57 119.83 3g1m h LYS 52 Ca 0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3g1m h LYS 52 Cb 0.14 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3g1m h LYS 52 CO -0.01 0.29 0.18 0.78 -2.27 0.00 0.00 179.45 178.42 3g1m h GLY 53 N 0.45 0.57 0.81 5.01 0.00 -1.18 -2.00 103.07 106.74 3g1m h GLY 53 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3g1m h GLY 53 CO -0.05 0.24 -0.18 0.00 0.00 0.00 0.00 176.54 176.55 3g1m n ALA 54 N -2.48 2.88 -2.61 3.60 0.00 -0.54 -4.91 120.51 116.46 3g1m n ALA 54 Ca 0.03 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 3g1m n ALA 54 Cb 0.12 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.31 3g1m n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1m n GLY 55 N 1.33 0.14 3.37 0.00 0.00 -0.04 -4.87 105.19 105.12 3g1m n GLY 55 Ca 0.13 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 3g1m n GLY 55 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3g1m s ILE 56 N -2.83 1.09 0.66 -0.61 -4.36 -0.13 -5.03 121.20 110.00 3g1m s ILE 56 Ca 0.14 -2.03 -0.11 0.00 -0.26 0.00 0.00 60.65 58.39 3g1m s ILE 56 Cb -0.06 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 41.13 3g1m s ILE 56 CO 0.17 -0.20 1.06 -0.94 0.24 0.00 0.00 174.94 175.27 3g1m s SER 57 N -3.37 5.85 0.13 4.36 1.04 -1.26 -3.93 113.70 116.53 3g1m s SER 57 Ca 0.32 1.27 -0.19 0.00 0.48 0.00 0.00 55.95 57.83 3g1m s SER 57 Cb 0.07 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 3g1m s SER 57 CO 0.11 -1.09 1.76 -0.09 0.98 0.00 0.00 173.24 174.91 3g1m h ARG 58 N -0.47 0.23 -0.39 4.02 2.43 -1.92 -1.95 114.38 116.33 3g1m h ARG 58 Ca -0.44 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.72 3g1m h ARG 58 Cb 1.22 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 3g1m h ARG 58 CO 0.63 0.15 0.26 -1.35 -1.51 0.00 0.00 179.97 178.14 3g1m h PRO 59 N 0.23 0.50 0.00 0.20 0.11 -2.00 -2.25 132.00 128.79 3g1m h PRO 59 Ca 0.11 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.09 3g1m h PRO 59 Cb 0.05 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3g1m h PRO 59 CO -0.09 0.33 -0.44 1.79 -0.21 0.00 0.00 178.00 179.38 3g1m h THR 60 N 0.51 0.95 -0.47 -1.15 1.35 -1.86 -2.67 112.91 109.56 3g1m h THR 60 Ca 0.14 -1.76 0.09 0.00 -0.55 0.00 0.00 66.41 64.33 3g1m h THR 60 Cb -0.04 2.07 -0.07 0.00 -1.73 0.00 0.00 68.15 68.37 3g1m h THR 60 CO -0.03 0.43 0.04 0.15 -0.25 0.00 0.00 175.52 175.86 3g1m h PHE 61 N 0.00 0.05 0.00 4.73 3.04 -0.76 -1.78 116.94 122.23 3g1m h PHE 61 Ca -0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3g1m h PHE 61 Cb 1.03 0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.59 3g1m h PHE 61 CO 0.00 -0.06 0.00 1.88 -2.02 0.00 0.00 178.31 178.11 3g1m h TYR 62 N 0.16 0.00 -0.32 0.41 0.05 -1.27 -0.15 116.97 115.85 3g1m h TYR 62 Ca 0.24 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.90 3g1m h TYR 62 Cb 0.34 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 3g1m h TYR 62 CO -0.26 0.00 -0.28 0.35 -1.05 0.00 0.00 178.16 176.92 3g1m h PHE 63 N 0.00 0.76 0.06 4.88 3.04 -1.25 -3.33 116.94 121.09 3g1m h PHE 63 Ca 0.00 -0.18 -0.33 0.00 3.98 0.00 0.00 57.97 61.44 3g1m h PHE 63 Cb 0.19 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.49 3g1m h PHE 63 CO 0.00 0.87 -1.85 0.66 -2.02 0.00 0.00 178.31 175.96 3g1m n TYR 64 N -4.09 1.12 -3.82 0.41 4.02 -0.19 -4.95 117.16 109.65 3g1m n TYR 64 Ca -0.00 0.31 -0.13 0.00 -0.01 0.00 0.00 57.90 58.07 3g1m n TYR 64 Cb 0.45 -1.17 -0.14 0.00 -0.02 0.00 0.00 39.34 38.46 3g1m n TYR 64 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3g1m s PHE 65 N -2.58 -0.09 0.26 -0.72 0.40 -0.48 -5.05 117.98 109.71 3g1m s PHE 65 Ca -0.13 0.25 0.25 0.00 -0.60 0.00 0.00 56.93 56.71 3g1m s PHE 65 Cb 0.07 -0.00 1.14 0.00 0.51 0.00 0.00 43.02 44.74 3g1m s PHE 65 CO 0.80 -0.06 1.93 -1.00 0.70 0.00 0.00 175.22 177.58 3g1m h PRO 66 N 6.25 0.00 -2.70 0.24 0.13 -1.86 -3.33 132.00 130.73 3g1m h PRO 66 Ca -0.28 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.94 3g1m h PRO 66 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 3g1m h PRO 66 CO 0.45 0.19 0.34 -1.54 -0.23 0.00 0.00 178.00 177.21 3g1m s SER 67 N -6.17 -0.32 0.33 1.44 1.04 -1.26 -5.01 113.70 103.75 3g1m s SER 67 Ca -0.01 -0.33 0.09 0.00 0.48 0.00 0.00 55.95 56.18 3g1m s SER 67 Cb 0.11 0.58 0.56 0.00 0.10 0.00 0.00 66.02 67.38 3g1m s SER 67 CO 0.61 -1.03 1.75 0.07 0.98 0.00 0.00 173.24 175.62 3g1m h LYS 68 N 2.00 0.13 -0.90 4.02 2.10 -1.97 -2.74 116.57 119.21 3g1m h LYS 68 Ca -0.24 -0.06 0.05 0.00 -2.00 0.00 0.00 60.65 58.40 3g1m h LYS 68 Cb 1.26 -0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.52 3g1m h LYS 68 CO 0.28 0.51 0.57 0.93 -2.00 0.00 0.00 179.45 179.74 3g1m h GLU 69 N 0.11 1.03 -0.30 0.07 3.07 -1.97 -2.20 114.58 114.39 3g1m h GLU 69 Ca 0.01 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 3g1m h GLU 69 Cb 0.76 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 3g1m h GLU 69 CO 0.06 0.68 -0.09 0.00 -1.40 0.00 0.00 179.01 178.26 3g1m h ALA 70 N 1.40 1.30 -0.40 3.43 0.00 -1.88 -1.51 119.26 121.59 3g1m h ALA 70 Ca 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3g1m h ALA 70 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3g1m h ALA 70 CO -0.15 0.47 0.18 0.28 0.00 0.00 0.00 179.25 180.03 3g1m h VAL 71 N 0.45 1.18 -0.44 0.00 2.07 -1.31 -2.27 116.25 115.93 3g1m h VAL 71 Ca 0.09 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3g1m h VAL 71 Cb 0.44 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3g1m h VAL 71 CO 0.02 0.20 0.24 0.25 0.02 0.00 0.00 177.57 178.30 3g1m h LEU 72 N 0.51 0.55 -0.69 2.57 5.85 -1.11 -1.43 115.31 121.56 3g1m h LEU 72 Ca 0.14 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.87 3g1m h LEU 72 Cb 0.15 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 3g1m h LEU 72 CO -0.01 0.48 0.31 0.25 -0.34 0.00 0.00 178.44 179.12 3g1m h LEU 73 N 0.58 0.35 -0.56 2.25 5.85 -1.19 0.15 115.31 122.74 3g1m h LEU 73 Ca 0.16 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 3g1m h LEU 73 Cb 0.05 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3g1m h LEU 73 CO -0.02 0.19 -0.00 0.74 -0.34 0.00 0.00 178.44 179.00 3g1m h THR 74 N 0.51 1.26 -0.16 1.05 2.02 -1.06 0.37 112.91 116.90 3g1m h THR 74 Ca 0.35 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3g1m h THR 74 Cb 0.43 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3g1m h THR 74 CO -0.31 0.40 0.10 -0.07 0.37 0.00 0.00 175.52 176.02 3g1m h LEU 75 N 0.88 0.18 -0.46 2.58 3.38 -0.78 -1.57 115.31 119.51 3g1m h LEU 75 Ca 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3g1m h LEU 75 Cb 0.55 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3g1m h LEU 75 CO 0.03 0.13 0.26 0.25 0.09 0.00 0.00 178.44 179.20 3g1m h LEU 76 N 0.21 0.57 -0.73 1.67 6.46 -0.78 -1.84 115.31 120.88 3g1m h LEU 76 Ca 0.06 -0.08 0.09 0.00 -0.12 0.00 0.00 57.88 57.83 3g1m h LEU 76 Cb -0.02 -0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 39.69 3g1m h LEU 76 CO -0.01 0.49 0.38 -0.78 -0.62 0.00 0.00 178.44 177.89 3g1m h ASP 77 N 0.61 0.51 -0.57 1.25 1.82 -0.74 0.14 116.42 119.44 3g1m h ASP 77 Ca 0.16 0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.83 3g1m h ASP 77 Cb 0.04 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 3g1m h ASP 77 CO -0.03 0.29 0.24 0.03 -1.61 0.00 0.00 179.24 178.17 3g1m h ARG 78 N 0.64 0.84 -0.23 0.28 3.08 -0.86 -1.37 114.38 116.76 3g1m h ARG 78 Ca 0.36 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.16 3g1m h ARG 78 Cb 0.36 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3g1m h ARG 78 CO -0.26 0.71 -0.25 0.28 -1.07 0.00 0.00 179.97 179.38 3g1m h VAL 79 N 0.77 1.32 -0.45 2.04 2.07 -0.65 -0.85 116.25 120.51 3g1m h VAL 79 Ca 0.19 -1.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 3g1m h VAL 79 Cb 0.17 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3g1m h VAL 79 CO -0.02 0.44 0.13 0.58 0.02 0.00 0.00 177.57 178.73 3g1m h VAL 80 N 0.27 1.23 -0.39 2.57 2.07 -0.98 -1.33 116.25 119.69 3g1m h VAL 80 Ca 0.03 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 3g1m h VAL 80 Cb 0.82 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3g1m h VAL 80 CO 0.06 0.27 0.05 0.78 0.02 0.00 0.00 177.57 178.75 3g1m h ASN 81 N 0.58 0.56 -0.22 0.57 2.35 -1.21 -0.70 115.58 117.52 3g1m h ASN 81 Ca 0.14 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3g1m h ASN 81 Cb 0.28 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3g1m h ASN 81 CO -0.00 0.60 0.12 -0.61 -1.65 0.00 0.00 177.43 175.89 3g1m h GLN 82 N 0.58 0.30 -0.42 0.81 4.15 -0.66 0.42 115.11 120.28 3g1m h GLN 82 Ca 0.13 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3g1m h GLN 82 Cb 0.30 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 3g1m h GLN 82 CO 0.01 0.27 0.27 0.00 -1.93 0.00 0.00 178.83 177.45 3g1m h ALA 83 N 1.01 0.54 -0.57 3.38 0.00 -1.02 -1.81 119.26 120.79 3g1m h ALA 83 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3g1m h ALA 83 Cb 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3g1m h ALA 83 CO -0.01 0.01 0.25 0.22 0.00 0.00 0.00 179.25 179.71 3g1m h ASP 84 N 0.57 0.77 -0.69 0.00 1.82 -0.86 -0.89 116.42 117.15 3g1m h ASP 84 Ca 0.15 -0.15 -0.07 0.00 -0.39 0.00 0.00 57.03 56.57 3g1m h ASP 84 Cb -0.04 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 39.74 3g1m h ASP 84 CO -0.03 0.71 0.16 0.24 -1.61 0.00 0.00 179.24 178.71 3g1m h MET 85 N 0.78 1.11 -0.59 0.28 2.86 -0.79 -1.19 114.93 117.38 3g1m h MET 85 Ca 0.19 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3g1m h MET 85 Cb 0.17 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3g1m h MET 85 CO -0.02 0.98 0.25 0.00 1.06 0.00 0.00 176.91 179.18 3g1m h ALA 86 N 1.12 0.77 -0.64 6.32 0.00 -0.98 -1.23 119.26 124.62 3g1m h ALA 86 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3g1m h ALA 86 Cb 0.37 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3g1m h ALA 86 CO 0.00 0.37 0.34 1.25 0.00 0.00 0.00 179.25 181.22 3g1m h LEU 87 N 0.82 0.81 -0.68 0.00 5.85 -0.81 -1.37 115.31 119.93 3g1m h LEU 87 Ca 0.20 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3g1m h LEU 87 Cb 0.18 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3g1m h LEU 87 CO -0.02 0.69 0.41 1.56 -0.34 0.00 0.00 178.44 180.74 3g1m h GLN 88 N 0.88 0.77 -0.30 1.25 4.20 -0.90 0.92 115.11 121.93 3g1m h GLN 88 Ca 0.22 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3g1m h GLN 88 Cb 0.06 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3g1m h GLN 88 CO -0.03 0.51 0.11 1.15 -0.67 0.00 0.00 178.83 179.89 3g1m h THR 89 N 0.79 1.19 -0.44 -0.54 2.02 -0.92 -0.05 112.91 114.96 3g1m h THR 89 Ca 0.28 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.90 3g1m h THR 89 Cb 0.07 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3g1m h THR 89 CO -0.13 0.20 0.23 0.25 0.37 0.00 0.00 175.52 176.45 3g1m h LEU 90 N 0.33 0.34 -1.40 2.58 6.46 -0.91 -2.33 115.31 120.39 3g1m h LEU 90 Ca 0.10 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 3g1m h LEU 90 Cb 0.21 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 3g1m h LEU 90 CO -0.01 0.25 0.27 0.00 -0.62 0.00 0.00 178.44 178.33 3g1m h ALA 91 N 1.23 1.54 0.00 1.25 0.00 -0.38 -2.55 119.26 120.35 3g1m h ALA 91 Ca 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3g1m h ALA 91 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3g1m h ALA 91 CO -0.12 0.38 -0.17 0.93 0.00 0.00 0.00 179.25 180.27 3g1m h GLU 92 N 0.69 0.00 -6.98 0.00 5.08 -0.46 -3.42 114.58 109.49 3g1m h GLU 92 Ca 0.18 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.05 3g1m h GLU 92 Cb 0.02 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.30 3g1m h GLU 92 CO -0.03 0.17 0.42 -0.80 -1.00 0.00 0.00 179.01 177.78 3g1m s ASN 93 N -6.11 6.63 0.14 1.42 -0.87 -0.96 -4.95 114.94 110.23 3g1m s ASN 93 Ca -0.00 2.08 0.03 0.00 -1.57 0.00 0.00 52.86 53.40 3g1m s ASN 93 Cb 0.11 -2.59 -0.10 0.00 -0.02 0.00 0.00 41.25 38.65 3g1m s ASN 93 CO 0.61 -0.59 1.32 -0.65 -2.57 0.00 0.00 177.10 175.22 3g1m h PRO 94 N 2.36 0.13 -6.40 -0.60 0.11 -1.85 -3.49 132.00 122.26 3g1m h PRO 94 Ca -0.49 -0.18 -0.49 0.00 0.11 0.00 0.00 66.00 64.96 3g1m h PRO 94 Cb 1.22 0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 3g1m h PRO 94 CO 0.62 1.00 -0.83 0.00 -0.21 0.00 0.00 178.00 178.58 3g1m n ALA 95 N -2.43 -1.64 0.00 -0.75 0.00 -1.26 -4.70 120.51 109.71 3g1m n ALA 95 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3g1m n ALA 95 Cb 0.88 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.44 3g1m n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3g1m n ASP 96 N -2.89 0.00 -3.51 0.00 5.75 -1.26 -4.89 116.55 109.75 3g1m n ASP 96 Ca -0.13 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.56 3g1m n ASP 96 Cb 0.60 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.67 3g1m n ASP 96 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3g1m s THR 97 N 0.00 0.00 0.47 2.12 -1.32 -1.26 -5.13 115.64 110.51 3g1m s THR 97 Ca 0.00 -1.26 -0.07 0.00 -1.21 0.00 0.00 61.69 59.16 3g1m s THR 97 Cb 0.00 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.50 3g1m s THR 97 CO 0.00 0.00 0.79 1.51 -2.21 0.00 0.00 174.62 174.71 3g1m s ASP 98 N -3.06 6.33 0.27 8.08 1.47 -1.26 -4.93 116.67 123.56 3g1m s ASP 98 Ca 0.20 0.99 -0.04 0.00 1.18 0.00 0.00 52.55 54.88 3g1m s ASP 98 Cb -0.03 -2.27 0.33 0.00 -0.34 0.00 0.00 42.92 40.61 3g1m s ASP 98 CO 0.12 -0.54 1.92 0.08 0.68 0.00 0.00 175.17 177.43 3g1m h ARG 99 N 0.47 1.19 -0.46 2.11 0.11 -2.02 -0.97 114.38 114.82 3g1m h ARG 99 Ca -0.47 -0.10 -0.06 0.00 0.10 0.00 0.00 59.98 59.46 3g1m h ARG 99 Cb 1.20 -0.26 -0.02 0.00 1.11 0.00 0.00 29.97 32.01 3g1m h ARG 99 CO 0.62 0.82 0.06 1.49 0.10 0.00 0.00 179.97 183.06 3g1m h GLU 100 N 1.21 0.77 -0.36 0.08 4.81 -1.99 -2.44 114.58 116.66 3g1m h GLU 100 Ca 0.32 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 3g1m h GLU 100 Cb -0.08 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3g1m h GLU 100 CO -0.06 0.80 -0.13 -0.97 -0.73 0.00 0.00 179.01 177.91 3g1m h ASN 101 N 0.64 0.62 0.00 1.04 -1.24 -1.79 -0.34 115.58 114.51 3g1m h ASN 101 Ca 0.14 -0.18 0.03 0.00 0.71 0.00 0.00 56.30 57.00 3g1m h ASN 101 Cb 0.41 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.25 3g1m h ASN 101 CO 0.01 0.78 -0.23 -0.03 -1.29 0.00 0.00 177.43 176.68 3g1m h MET 102 N 0.58 -0.34 -0.36 6.67 4.05 -0.88 -0.04 114.93 124.60 3g1m h MET 102 Ca 0.10 0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.42 3g1m h MET 102 Cb 0.56 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 3g1m h MET 102 CO 0.04 -0.23 -0.28 -1.49 0.23 0.00 0.00 176.91 175.18 3g1m h TRP 103 N -0.36 0.87 -0.46 1.39 4.06 -1.25 -2.55 115.95 117.66 3g1m h TRP 103 Ca 0.06 -0.22 0.03 0.00 2.06 0.00 0.00 58.89 60.82 3g1m h TRP 103 Cb 0.44 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.36 3g1m h TRP 103 CO -0.27 0.95 0.25 -0.09 -3.56 0.00 0.00 178.44 175.73 3g1m h ARG 104 N 0.65 0.49 -0.69 0.49 2.43 -0.82 0.19 114.38 117.11 3g1m h ARG 104 Ca 0.08 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3g1m h ARG 104 Cb 0.80 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 3g1m h ARG 104 CO 0.07 0.32 0.25 1.15 -1.51 0.00 0.00 179.97 180.25 3g1m h THR 105 N 0.50 1.24 -0.05 0.20 2.02 -0.79 0.05 112.91 116.09 3g1m h THR 105 Ca 0.19 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3g1m h THR 105 Cb 0.06 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3g1m h THR 105 CO -0.11 0.32 0.00 1.23 0.37 0.00 0.00 175.52 177.33 3g1m h GLY 106 N 1.07 0.09 1.35 2.16 0.00 -1.03 -2.40 103.07 104.32 3g1m h GLY 106 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3g1m h GLY 106 CO -0.01 0.06 0.37 -2.22 0.00 0.00 0.00 176.54 174.73 3g1m h ILE 107 N -0.18 1.18 -0.33 2.60 2.04 -0.84 -2.35 117.51 119.62 3g1m h ILE 107 Ca 0.01 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3g1m h ILE 107 Cb 0.30 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3g1m h ILE 107 CO 0.00 0.20 0.17 -1.13 0.00 0.00 0.00 178.15 177.39 3g1m h ASN 108 N 0.87 0.40 -0.72 1.72 -0.73 -0.75 -0.98 115.58 115.38 3g1m h ASN 108 Ca 0.23 -0.02 0.11 0.00 1.87 0.00 0.00 56.30 58.48 3g1m h ASN 108 Cb -0.01 -0.10 -0.08 0.00 0.27 0.00 0.00 38.32 38.40 3g1m h ASN 108 CO -0.04 0.34 0.34 0.58 -0.37 0.00 0.00 177.43 178.27 3g1m h VAL 109 N 0.46 0.80 0.06 2.57 2.07 -0.91 0.45 116.25 121.75 3g1m h VAL 109 Ca 0.12 -0.19 -0.25 0.00 0.82 0.00 0.00 66.70 67.19 3g1m h VAL 109 Cb 0.03 0.19 0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3g1m h VAL 109 CO -0.02 0.10 -1.03 -0.26 0.02 0.00 0.00 177.57 176.38 3g1m h PHE 110 N 0.56 0.92 -0.51 1.57 -1.00 -1.37 -0.95 116.94 116.16 3g1m h PHE 110 Ca 0.36 -0.54 0.06 0.00 2.81 0.00 0.00 57.97 60.66 3g1m h PHE 110 Cb 0.43 -0.09 -0.05 0.00 3.61 0.00 0.00 35.95 39.85 3g1m h PHE 110 CO -0.12 1.38 0.21 0.35 -1.61 0.00 0.00 178.31 178.52 3g1m h PHE 111 N 0.20 0.38 -0.04 -0.55 3.04 -0.95 -0.42 116.94 118.60 3g1m h PHE 111 Ca -0.15 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.67 3g1m h PHE 111 Cb 1.71 -0.10 0.01 0.00 2.56 0.00 0.00 35.95 40.14 3g1m h PHE 111 CO 0.12 0.15 -0.59 0.93 -2.02 0.00 0.00 178.31 176.90 3g1m h GLU 112 N 0.42 0.48 0.17 1.11 4.39 -0.94 -0.26 114.58 119.93 3g1m h GLU 112 Ca 0.24 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 3g1m h GLU 112 Cb 0.22 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3g1m h GLU 112 CO -0.21 1.10 -0.08 1.15 -1.16 0.00 0.00 179.01 179.81 3g1m h THR 113 N 0.02 0.96 -0.17 1.13 2.02 -1.07 -0.60 112.91 115.20 3g1m h THR 113 Ca -0.06 -0.68 -0.14 0.00 0.77 0.00 0.00 66.41 66.30 3g1m h THR 113 Cb 1.27 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 3g1m h THR 113 CO 0.12 0.15 -0.50 -0.26 0.37 0.00 0.00 175.52 175.40 3g1m h PHE 114 N -0.56 0.56 0.00 3.16 0.05 -1.20 -2.95 116.94 116.00 3g1m h PHE 114 Ca -0.02 -0.18 -0.02 0.00 3.82 0.00 0.00 57.97 61.56 3g1m h PHE 114 Cb 0.42 -0.11 -0.00 0.00 2.00 0.00 0.00 35.95 38.26 3g1m h PHE 114 CO 0.03 0.86 -0.12 0.78 -0.18 0.00 0.00 178.31 179.69 3g1m h GLY 115 N 1.16 0.00 1.28 -1.45 0.00 -0.98 -1.36 103.07 101.72 3g1m h GLY 115 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3g1m h GLY 115 CO 0.09 0.00 -0.26 1.44 0.00 0.00 0.00 176.54 177.81 3g1m n SER 116 N -3.39 0.35 -2.92 0.19 7.64 -0.24 -4.13 113.62 111.12 3g1m n SER 116 Ca -0.01 -0.08 -0.18 0.00 1.01 0.00 0.00 58.87 59.61 3g1m n SER 116 Cb 0.30 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.43 3g1m n SER 116 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3g1m n HIS 117 N -1.38 1.47 -0.29 1.43 8.25 -0.54 -4.96 115.22 119.21 3g1m n HIS 117 Ca 0.08 -3.49 -0.03 0.00 -0.26 0.00 0.00 57.72 54.02 3g1m n HIS 117 Cb 0.33 -0.38 0.09 0.00 1.12 0.00 0.00 29.99 31.15 3g1m n HIS 117 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3g1m h LYS 118 N 2.95 0.98 -0.43 -0.41 1.57 -1.65 -0.44 116.57 119.14 3g1m h LYS 118 Ca 0.07 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3g1m h LYS 118 Cb 0.94 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3g1m h LYS 118 CO 0.59 0.65 0.06 0.00 -0.57 0.00 0.00 179.45 180.18 3g1m h ALA 119 N 1.32 0.57 -0.41 3.86 0.00 -1.89 0.21 119.26 122.91 3g1m h ALA 119 Ca 0.31 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3g1m h ALA 119 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3g1m h ALA 119 CO -0.10 0.30 -0.10 0.28 0.00 0.00 0.00 179.25 179.63 3g1m h VAL 120 N 0.57 1.27 0.04 0.00 2.07 -1.86 -0.81 116.25 117.54 3g1m h VAL 120 Ca 0.13 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.47 3g1m h VAL 120 Cb 0.39 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3g1m h VAL 120 CO 0.01 0.40 -0.18 0.74 0.02 0.00 0.00 177.57 178.56 3g1m h THR 121 N 0.62 0.58 0.22 2.57 2.02 -0.86 0.26 112.91 118.31 3g1m h THR 121 Ca 0.11 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 3g1m h THR 121 Cb 0.63 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3g1m h THR 121 CO 0.04 0.00 -0.13 -0.09 0.37 0.00 0.00 175.52 175.71 3g1m h ARG 122 N -0.32 -0.32 -0.69 6.66 2.43 -0.89 -0.31 114.38 120.96 3g1m h ARG 122 Ca 0.04 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3g1m h ARG 122 Cb 0.37 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3g1m h ARG 122 CO -0.14 -0.21 0.30 0.00 -1.51 0.00 0.00 179.97 178.41 3g1m h ALA 123 N 0.45 0.89 -0.46 2.80 0.00 -1.03 -2.11 119.26 119.79 3g1m h ALA 123 Ca -0.02 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3g1m h ALA 123 Cb 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3g1m h ALA 123 CO 0.03 0.48 0.28 0.78 0.00 0.00 0.00 179.25 180.82 3g1m h GLY 124 N 0.96 0.65 1.00 0.00 0.00 -0.35 -1.34 103.07 103.99 3g1m h GLY 124 Ca 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 3g1m h GLY 124 CO -0.02 0.19 0.20 1.46 0.00 0.00 0.00 176.54 178.37 3g1m h GLN 125 N 0.57 0.89 -0.87 4.80 1.08 -0.74 -2.86 115.11 117.97 3g1m h GLN 125 Ca 0.18 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3g1m h GLN 125 Cb -0.01 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.24 3g1m h GLN 125 CO -0.07 0.78 0.48 0.00 -0.95 0.00 0.00 178.83 179.07 3g1m h ALA 126 N 1.06 1.19 0.00 3.87 0.00 -1.16 -2.58 119.26 121.64 3g1m h ALA 126 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3g1m h ALA 126 Cb 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3g1m h ALA 126 CO -0.01 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.89 3g1m h ALA 127 N 1.30 1.00 -0.94 0.00 0.00 -1.03 -2.66 119.26 116.93 3g1m h ALA 127 Ca 0.31 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.44 3g1m h ALA 127 Cb 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 3g1m h ALA 127 CO -0.05 0.00 0.62 0.00 0.00 0.00 0.00 179.25 179.82 3g1m h ARG 128 N 0.00 0.35 0.00 0.00 3.08 -1.32 0.20 114.38 116.69 3g1m h ARG 128 Ca 0.00 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 3g1m h ARG 128 Cb 0.26 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3g1m h ARG 128 CO 0.00 0.23 -0.59 0.00 -1.07 0.00 0.00 179.97 178.54 3g1m h ALA 129 N 1.60 0.99 0.00 0.04 0.00 -1.67 -3.35 119.26 116.88 3g1m h ALA 129 Ca 0.49 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3g1m h ALA 129 Cb 1.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3g1m h ALA 129 CO -0.18 0.74 -0.13 0.25 0.00 0.00 0.00 179.25 179.93 3g1m n THR 130 N -3.79 0.00 -4.02 0.00 -2.24 -0.68 -4.94 114.28 98.61 3g1m n THR 130 Ca -0.01 -0.44 -0.31 0.00 -2.27 0.00 0.00 64.05 61.02 3g1m n THR 130 Cb 0.60 0.99 -0.16 0.00 -2.10 0.00 0.00 70.33 69.67 3g1m n THR 130 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3g1m s SER 131 N -1.24 3.67 0.39 3.42 0.15 0.62 -5.00 113.70 115.71 3g1m s SER 131 Ca 0.01 -1.02 0.06 0.00 0.70 0.00 0.00 55.95 55.69 3g1m s SER 131 Cb 0.02 -1.32 0.79 0.00 -1.71 0.00 0.00 66.02 63.79 3g1m s SER 131 CO 0.10 -0.15 2.03 -0.37 1.20 0.00 0.00 173.24 176.05 3g1m h VAL 132 N 6.47 1.11 -0.29 4.45 -1.51 -1.85 -0.04 116.25 124.59 3g1m h VAL 132 Ca -0.26 -0.23 -0.02 0.00 -1.23 0.00 0.00 66.70 64.96 3g1m h VAL 132 Cb 1.08 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 3g1m h VAL 132 CO 0.48 0.12 0.09 -0.33 -1.23 0.00 0.00 177.57 176.70 3g1m h GLU 133 N 0.66 0.45 -0.34 5.19 3.07 -1.94 0.26 114.58 121.93 3g1m h GLU 133 Ca 0.20 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 58.92 3g1m h GLU 133 Cb -0.02 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 3g1m h GLU 133 CO -0.05 0.51 0.06 0.28 -1.40 0.00 0.00 179.01 178.42 3g1m h VAL 134 N 0.30 1.23 -0.57 3.13 2.07 -1.81 -1.09 116.25 119.51 3g1m h VAL 134 Ca 0.09 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.88 3g1m h VAL 134 Cb 0.25 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3g1m h VAL 134 CO -0.00 0.27 0.25 0.00 0.02 0.00 0.00 177.57 178.10 3g1m h ALA 135 N 0.90 0.73 -0.34 1.67 0.00 -0.84 -0.75 119.26 120.64 3g1m h ALA 135 Ca 0.10 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3g1m h ALA 135 Cb 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3g1m h ALA 135 CO 0.00 -0.14 -0.17 0.93 0.00 0.00 0.00 179.25 179.88 3g1m h GLU 136 N 0.46 0.63 -0.04 0.00 5.08 -0.86 -0.90 114.58 118.94 3g1m h GLU 136 Ca 0.27 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3g1m h GLU 136 Cb 0.26 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3g1m h GLU 136 CO -0.24 0.76 0.01 1.25 -1.00 0.00 0.00 179.01 179.80 3g1m h LEU 137 N 0.56 0.06 -0.18 1.33 5.85 -0.62 -1.33 115.31 120.98 3g1m h LEU 137 Ca 0.09 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3g1m h LEU 137 Cb 0.61 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3g1m h LEU 137 CO 0.04 0.27 0.11 -0.25 -0.34 0.00 0.00 178.44 178.27 3g1m h TRP 138 N -0.15 0.23 -0.60 1.25 2.91 -1.07 -2.47 115.95 116.05 3g1m h TRP 138 Ca 0.01 0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.09 3g1m h TRP 138 Cb 0.23 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 28.75 3g1m h TRP 138 CO 0.00 0.17 0.32 1.03 -1.03 0.00 0.00 178.44 178.93 3g1m h SER 139 N 0.23 0.45 -0.22 2.65 0.87 -1.09 -0.55 113.55 115.89 3g1m h SER 139 Ca 0.07 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 3g1m h SER 139 Cb -0.00 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 3g1m h SER 139 CO -0.01 0.30 0.03 0.74 -0.53 0.00 0.00 176.83 177.36 3g1m h THR 140 N 0.59 0.89 -0.11 2.23 2.02 -0.97 -0.64 112.91 116.91 3g1m h THR 140 Ca 0.27 -0.04 -0.19 0.00 0.77 0.00 0.00 66.41 67.22 3g1m h THR 140 Cb 0.18 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3g1m h THR 140 CO -0.18 0.02 -0.71 -0.26 0.37 0.00 0.00 175.52 174.76 3g1m h PHE 141 N 0.12 0.67 -0.36 3.16 -1.00 -1.12 -2.24 116.94 116.16 3g1m h PHE 141 Ca 0.10 -0.29 0.02 0.00 2.81 0.00 0.00 57.97 60.62 3g1m h PHE 141 Cb 0.11 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 3g1m h PHE 141 CO -0.16 1.05 0.19 0.52 -1.61 0.00 0.00 178.31 178.31 3g1m h MET 142 N 0.35 0.38 -0.78 1.51 2.86 -0.88 0.67 114.93 119.04 3g1m h MET 142 Ca -0.03 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.70 3g1m h MET 142 Cb 1.29 -0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.78 3g1m h MET 142 CO 0.13 0.25 0.41 1.96 1.06 0.00 0.00 176.91 180.72 3g1m h GLN 143 N 0.39 0.64 -0.23 1.72 4.20 -1.02 1.00 115.11 121.82 3g1m h GLN 143 Ca 0.15 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3g1m h GLN 143 Cb 0.04 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3g1m h GLN 143 CO -0.09 0.42 0.08 -0.22 -0.67 0.00 0.00 178.83 178.35 3g1m h LYS 144 N 0.66 0.35 -0.33 1.46 3.64 -0.77 -1.35 116.57 120.23 3g1m h LYS 144 Ca 0.39 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.59 3g1m h LYS 144 Cb 0.45 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3g1m h LYS 144 CO -0.29 0.43 -0.26 -1.49 -2.27 0.00 0.00 179.45 175.56 3g1m h TRP 145 N 0.20 0.76 -0.35 1.91 6.55 -0.62 -1.09 115.95 123.31 3g1m h TRP 145 Ca 0.07 -0.18 -0.03 0.00 0.95 0.00 0.00 58.89 59.71 3g1m h TRP 145 Cb 0.22 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.32 3g1m h TRP 145 CO -0.00 0.86 0.11 0.82 -1.05 0.00 0.00 178.44 179.18 3g1m h ILE 146 N 0.58 1.21 -0.82 1.49 2.04 -0.73 -0.96 117.51 120.32 3g1m h ILE 146 Ca 0.08 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 3g1m h ILE 146 Cb 0.75 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 3g1m h ILE 146 CO 0.06 0.23 0.39 0.00 0.00 0.00 0.00 178.15 178.83 3g1m h ALA 147 N 0.95 1.14 -0.28 1.87 0.00 -0.99 -0.61 119.26 121.34 3g1m h ALA 147 Ca 0.11 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3g1m h ALA 147 Cb 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3g1m h ALA 147 CO -0.00 0.65 -0.11 -0.92 0.00 0.00 0.00 179.25 178.87 3g1m h TYR 148 N 1.17 0.65 -0.49 0.00 3.20 -1.03 -1.12 116.97 119.34 3g1m h TYR 148 Ca 0.28 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 3g1m h TYR 148 Cb 0.12 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3g1m h TYR 148 CO 0.01 0.80 0.09 0.00 -1.64 0.00 0.00 178.16 177.42 3g1m h THR 149 N 0.31 1.22 -0.48 1.81 1.03 -0.90 -1.76 112.91 114.14 3g1m h THR 149 Ca 0.07 -0.83 -0.07 0.00 -0.01 0.00 0.00 66.41 65.57 3g1m h THR 149 Cb 0.61 0.75 -0.02 0.00 -1.07 0.00 0.00 68.15 68.42 3g1m h THR 149 CO 0.04 0.30 0.03 0.00 -0.01 0.00 0.00 175.52 175.88 3g1m h ALA 150 N 1.36 1.14 -0.38 0.00 0.00 -0.91 -0.74 119.26 119.74 3g1m h ALA 150 Ca 0.16 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3g1m h ALA 150 Cb 0.32 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3g1m h ALA 150 CO 0.00 0.56 -0.13 0.00 0.00 0.00 0.00 179.25 179.68 3g1m h ALA 151 N 1.29 1.07 -0.19 0.00 0.00 -0.69 -0.12 119.26 120.61 3g1m h ALA 151 Ca 0.15 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 3g1m h ALA 151 Cb 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3g1m h ALA 151 CO 0.01 0.57 -0.45 0.28 0.00 0.00 0.00 179.25 179.66 3g1m h VAL 152 N 0.61 1.32 -0.68 0.00 2.07 -0.90 -1.19 116.25 117.48 3g1m h VAL 152 Ca 0.10 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 65.98 3g1m h VAL 152 Cb 0.58 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 3g1m h VAL 152 CO 0.04 0.52 0.41 0.40 0.02 0.00 0.00 177.57 178.96 3g1m h ILE 153 N 0.33 1.04 -0.46 4.57 2.04 -0.97 0.02 117.51 124.07 3g1m h ILE 153 Ca -0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3g1m h ILE 153 Cb 1.06 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3g1m h ILE 153 CO 0.10 0.14 0.30 0.44 0.00 0.00 0.00 178.15 179.13 3g1m h ASP 154 N 0.78 0.54 -0.62 1.72 3.45 -0.91 -0.70 116.42 120.67 3g1m h ASP 154 Ca 0.28 -0.03 0.01 0.00 0.43 0.00 0.00 57.03 57.73 3g1m h ASP 154 Cb 0.09 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.69 3g1m h ASP 154 CO -0.14 0.40 0.41 0.00 -1.57 0.00 0.00 179.24 178.35 3g1m h ALA 155 N 1.16 0.79 -0.95 3.45 0.00 -0.78 0.29 119.26 123.22 3g1m h ALA 155 Ca 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3g1m h ALA 155 Cb -0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 3g1m h ALA 155 CO -0.04 0.22 0.63 0.93 0.00 0.00 0.00 179.25 180.99 3g1m h GLU 156 N 0.84 1.24 -0.35 0.00 4.39 -0.42 -1.01 114.58 119.27 3g1m h GLU 156 Ca 0.23 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.72 3g1m h GLU 156 Cb -0.10 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.27 3g1m h GLU 156 CO -0.05 0.82 -0.29 0.00 -1.16 0.00 0.00 179.01 178.34 3g1m h ARG 157 N 1.28 0.81 -0.55 2.33 3.08 -0.78 -0.37 114.38 120.18 3g1m h ARG 157 Ca 0.35 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3g1m h ARG 157 Cb -0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3g1m h ARG 157 CO -0.08 1.04 0.33 -0.44 -1.07 0.00 0.00 179.97 179.75 3g1m h ASP 158 N 0.59 0.65 0.93 7.04 3.32 -0.55 -1.44 116.42 126.97 3g1m h ASP 158 Ca 0.06 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3g1m h ASP 158 Cb 0.86 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3g1m h ASP 158 CO 0.07 0.50 0.00 -1.14 -1.72 0.00 0.00 179.24 176.95 3g1m n ARG 159 N -4.42 0.09 -0.90 3.56 0.63 -0.42 -4.90 116.66 110.29 3g1m n ARG 159 Ca 0.05 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 3g1m n ARG 159 Cb 0.07 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.35 3g1m n ARG 159 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3g1m n GLY 160 N 0.82 0.61 0.08 5.14 0.00 -0.54 -4.94 105.19 106.34 3g1m n GLY 160 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 3g1m n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1m h ALA 161 N 0.00 0.49 -4.35 4.61 0.00 -1.29 -3.46 119.26 115.25 3g1m h ALA 161 Ca 0.00 -1.15 -0.70 0.00 0.00 0.00 0.00 54.91 53.06 3g1m h ALA 161 Cb 0.00 0.16 -0.27 0.00 0.00 0.00 0.00 17.79 17.68 3g1m h ALA 161 CO 0.00 1.35 -0.87 0.00 0.00 0.00 0.00 179.25 179.73 3g1m s ALA 162 N -2.65 2.28 0.52 0.00 0.00 -0.90 -4.95 121.76 116.05 3g1m s ALA 162 Ca -0.03 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 50.55 3g1m s ALA 162 Cb 0.09 -0.55 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 3g1m s ALA 162 CO 0.83 0.54 1.03 -1.25 0.00 0.00 0.00 175.76 176.90 3g1m s PRO 163 N -1.03 3.72 -1.06 0.00 0.04 -1.26 -4.14 135.00 131.27 3g1m s PRO 163 Ca 0.11 1.23 -0.19 0.00 0.04 0.00 0.00 61.00 62.19 3g1m s PRO 163 Cb -0.10 -2.09 0.10 0.00 0.04 0.00 0.00 34.50 32.45 3g1m s PRO 163 CO 0.01 -0.48 1.38 1.03 0.04 0.00 0.00 177.00 178.98 3g1m s ARG 164 N -3.60 3.74 0.00 4.56 0.52 -1.26 -4.85 118.95 118.05 3g1m s ARG 164 Ca 0.64 -1.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.14 3g1m s ARG 164 Cb -0.15 -5.18 0.00 0.00 0.52 0.00 0.00 34.95 30.14 3g1m s ARG 164 CO 0.26 -1.99 0.00 0.25 0.02 0.00 0.00 175.30 173.84 3g1m n THR 165 N 5.96 0.00 -1.51 0.02 -2.24 -1.26 -5.04 114.28 110.21 3g1m n THR 165 Ca 0.33 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.76 3g1m n THR 165 Cb 0.48 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.80 3g1m n THR 165 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3g1m s LEU 166 N 0.00 3.38 -0.14 3.22 1.43 -1.26 -4.93 118.68 120.38 3g1m s LEU 166 Ca 0.00 2.43 -0.39 0.00 -1.03 0.00 0.00 54.13 55.14 3g1m s LEU 166 Cb 0.00 -4.60 -0.17 0.00 0.03 0.00 0.00 46.19 41.46 3g1m s LEU 166 CO 0.00 -2.21 1.53 -2.65 0.23 0.00 0.00 176.35 173.26 3g1m n PRO 167 N -2.51 0.97 -0.27 1.29 -0.02 -1.26 -4.85 135.00 128.34 3g1m n PRO 167 Ca 0.14 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 62.01 3g1m n PRO 167 Cb 0.50 -1.99 0.26 0.00 -0.02 0.00 0.00 33.50 32.25 3g1m n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g1m h ALA 168 N 5.74 1.54 -0.24 3.55 0.00 -1.93 -1.27 119.26 126.67 3g1m h ALA 168 Ca -0.47 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 3g1m h ALA 168 Cb 1.34 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3g1m h ALA 168 CO 0.87 0.33 -0.52 1.25 0.00 0.00 0.00 179.25 181.18 3g1m h HIS 169 N 0.98 0.84 -0.39 0.00 -0.00 -1.88 0.74 115.15 115.43 3g1m h HIS 169 Ca 0.36 -0.29 -0.10 0.00 -0.00 0.00 0.00 60.37 60.34 3g1m h HIS 169 Cb 0.18 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 3g1m h HIS 169 CO -0.00 1.05 -0.15 0.93 -0.00 0.00 0.00 177.93 179.76 3g1m h GLU 170 N 0.53 0.79 -0.13 5.26 5.08 -1.83 -0.62 114.58 123.65 3g1m h GLU 170 Ca 0.02 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3g1m h GLU 170 Cb 1.08 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3g1m h GLU 170 CO 0.11 0.95 0.08 1.25 -1.00 0.00 0.00 179.01 180.40 3g1m h LEU 171 N 0.60 0.15 -1.01 1.33 5.85 -1.10 -2.02 115.31 119.11 3g1m h LEU 171 Ca 0.09 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3g1m h LEU 171 Cb 0.69 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 3g1m h LEU 171 CO 0.05 0.11 0.66 0.00 -0.34 0.00 0.00 178.44 178.92 3g1m h ALA 172 N 1.04 1.36 0.15 1.25 0.00 -0.71 -1.40 119.26 120.95 3g1m h ALA 172 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3g1m h ALA 172 Cb -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.44 3g1m h ALA 172 CO -0.01 0.52 -0.07 1.15 0.00 0.00 0.00 179.25 180.83 3g1m h THR 173 N 1.24 0.91 -0.66 0.00 2.02 -0.57 -0.47 112.91 115.38 3g1m h THR 173 Ca 0.41 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.35 3g1m h THR 173 Cb 0.06 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 3g1m h THR 173 CO -0.14 0.06 0.42 0.00 0.37 0.00 0.00 175.52 176.23 3g1m h ALA 174 N 0.51 0.84 -0.64 6.16 0.00 -1.15 -0.80 119.26 124.18 3g1m h ALA 174 Ca -0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3g1m h ALA 174 Cb 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3g1m h ALA 174 CO 0.03 0.28 0.25 -0.07 0.00 0.00 0.00 179.25 179.75 3g1m h LEU 175 N 0.89 0.89 -0.58 0.00 3.38 -1.12 0.38 115.31 119.15 3g1m h LEU 175 Ca 0.24 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 3g1m h LEU 175 Cb -0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3g1m h LEU 175 CO -0.05 0.82 -0.13 0.78 0.09 0.00 0.00 178.44 179.96 3g1m h ASN 176 N 0.90 1.00 -0.65 -0.43 2.35 -0.82 -1.64 115.58 116.30 3g1m h ASN 176 Ca 0.21 -0.34 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 3g1m h ASN 176 Cb 0.21 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3g1m h ASN 176 CO -0.02 1.12 0.15 -0.07 -1.65 0.00 0.00 177.43 176.96 3g1m h LEU 177 N 0.88 0.99 -0.45 1.61 3.38 -0.94 -1.02 115.31 119.76 3g1m h LEU 177 Ca 0.13 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.94 3g1m h LEU 177 Cb 0.69 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 3g1m h LEU 177 CO 0.05 0.97 0.08 -0.03 0.09 0.00 0.00 178.44 179.60 3g1m h MET 178 N 0.96 0.21 -0.76 1.13 4.05 -0.77 -1.60 114.93 118.15 3g1m h MET 178 Ca 0.20 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 3g1m h MET 178 Cb 0.37 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.09 3g1m h MET 178 CO 0.00 0.14 0.44 -0.91 0.23 0.00 0.00 176.91 176.81 3g1m h ASN 179 N 0.21 0.93 0.41 1.39 4.21 -0.87 0.19 115.58 122.05 3g1m h ASN 179 Ca 0.22 -0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.64 3g1m h ASN 179 Cb 0.29 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 3g1m h ASN 179 CO -0.30 0.74 -0.33 -0.08 -1.29 0.00 0.00 177.43 176.17 3g1m h GLU 180 N 1.04 -0.71 -0.56 0.81 4.81 -0.85 0.49 114.58 119.61 3g1m h GLU 180 Ca 0.27 0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 3g1m h GLU 180 Cb -0.00 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3g1m h GLU 180 CO -0.05 -0.47 0.02 -0.09 -0.73 0.00 0.00 179.01 177.68 3g1m h ARG 181 N -0.74 0.98 0.00 1.92 9.65 -1.11 -2.48 114.38 122.61 3g1m h ARG 181 Ca -0.04 -0.30 -0.07 0.00 -1.10 0.00 0.00 59.98 58.47 3g1m h ARG 181 Cb 0.64 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 29.13 3g1m h ARG 181 CO -0.01 0.98 -0.28 1.15 2.80 0.00 0.00 179.97 184.60 3g1m h THR 182 N 0.87 1.54 -0.37 0.20 2.02 -0.53 -1.16 112.91 115.48 3g1m h THR 182 Ca 0.16 -1.97 0.01 0.00 0.77 0.00 0.00 66.41 65.38 3g1m h THR 182 Cb 0.52 2.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.68 3g1m h THR 182 CO 0.03 0.54 0.24 -0.07 0.37 0.00 0.00 175.52 176.63 3g1m h LEU 183 N -0.48 0.41 -0.58 2.58 3.38 -0.97 -1.80 115.31 117.85 3g1m h LEU 183 Ca -0.04 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 3g1m h LEU 183 Cb 1.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3g1m h LEU 183 CO 0.06 0.30 -0.64 -0.26 0.09 0.00 0.00 178.44 177.98 3g1m h PHE 184 N 0.49 0.35 -0.67 1.13 0.04 -1.46 -0.31 116.94 116.50 3g1m h PHE 184 Ca 0.14 -0.14 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 3g1m h PHE 184 Cb -0.05 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 3g1m h PHE 184 CO -0.06 0.83 0.12 0.00 -0.60 0.00 0.00 178.31 178.60 3g1m h ALA 185 N 1.13 0.89 -0.26 2.45 0.00 -1.14 -2.16 119.26 120.18 3g1m h ALA 185 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3g1m h ALA 185 Cb 1.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3g1m h ALA 185 CO 0.10 0.66 0.04 0.77 0.00 0.00 0.00 179.25 180.82 3g1m h SER 186 N 1.03 0.41 -0.12 0.00 0.02 -0.81 -1.20 113.55 112.88 3g1m h SER 186 Ca 0.20 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 3g1m h SER 186 Cb 0.44 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3g1m h SER 186 CO 0.01 0.57 -0.09 -0.26 -1.14 0.00 0.00 176.83 175.92 3g1m h PHE 187 N 0.24 0.45 -0.00 3.45 0.05 -0.98 -2.31 116.94 117.83 3g1m h PHE 187 Ca 0.08 -0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.81 3g1m h PHE 187 Cb 0.33 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 38.16 3g1m h PHE 187 CO 0.02 0.51 -0.11 0.00 -0.18 0.00 0.00 178.31 178.55 3g1m n ALA 188 N -2.48 2.74 -3.10 2.45 0.00 -0.82 -4.92 120.51 114.37 3g1m n ALA 188 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 3g1m n ALA 188 Cb 0.28 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.40 3g1m n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1m n GLY 189 N 1.32 -0.52 3.66 0.00 0.00 -0.86 -4.97 105.19 103.83 3g1m n GLY 189 Ca 0.13 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 3g1m n GLY 189 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g1m n GLU 190 N -4.01 0.03 -3.90 1.61 1.02 -0.51 -4.95 120.64 109.92 3g1m n GLU 190 Ca -0.09 0.09 -0.35 0.00 -0.02 0.00 0.00 57.16 56.78 3g1m n GLU 190 Cb 0.60 -2.37 -0.14 0.00 -0.02 0.00 0.00 31.44 29.52 3g1m n GLU 190 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3g1m s GLN 191 N -4.13 2.84 0.41 3.49 2.00 -1.26 -2.79 119.66 120.22 3g1m s GLN 191 Ca 0.71 -0.99 -0.11 0.00 -2.00 0.00 0.00 55.36 52.97 3g1m s GLN 191 Cb -0.28 -3.10 -0.06 0.00 0.80 0.00 0.00 33.01 30.36 3g1m s GLN 191 CO 0.53 -0.44 0.79 -1.25 -0.50 0.00 0.00 175.29 174.42 3g1m s PRO 192 N 1.36 3.79 0.09 1.67 0.04 -1.26 -5.21 135.00 135.47 3g1m s PRO 192 Ca 0.00 0.51 -0.25 0.00 0.04 0.00 0.00 61.00 61.30 3g1m s PRO 192 Cb -0.17 -2.37 0.07 0.00 0.04 0.00 0.00 34.50 32.07 3g1m s PRO 192 CO -0.02 -0.06 0.61 -1.54 0.04 0.00 0.00 177.00 176.03 3g1m s SER 193 N -3.15 -0.57 0.17 6.66 1.04 -1.12 -4.91 113.70 111.81 3g1m s SER 193 Ca 0.52 0.21 -0.30 0.00 0.48 0.00 0.00 55.95 56.86 3g1m s SER 193 Cb -0.10 0.57 -0.07 0.00 0.10 0.00 0.00 66.02 66.51 3g1m s SER 193 CO 0.31 -0.84 1.03 -0.69 0.98 0.00 0.00 173.24 174.03 3g1m s VAL 194 N -2.88 4.10 0.30 5.02 1.01 -1.26 -4.99 120.40 121.70 3g1m s VAL 194 Ca -0.03 1.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.50 3g1m s VAL 194 Cb -0.01 -4.18 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 3g1m s VAL 194 CO -0.05 0.33 1.32 -2.65 0.00 0.00 0.00 175.10 174.05 3g1m n PRO 195 N 2.32 2.05 -0.32 2.72 -0.02 -1.26 -4.49 135.00 136.01 3g1m n PRO 195 Ca 0.02 0.72 0.15 0.00 -2.02 0.00 0.00 63.50 62.37 3g1m n PRO 195 Cb 0.47 -2.32 0.38 0.00 -0.02 0.00 0.00 33.50 32.00 3g1m n PRO 195 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3g1m h GLU 196 N 3.19 0.65 0.00 -0.52 4.81 -1.94 0.23 114.58 121.00 3g1m h GLU 196 Ca -0.45 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3g1m h GLU 196 Cb 1.28 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3g1m h GLU 196 CO 0.68 0.43 0.00 0.00 -0.73 0.00 0.00 179.01 179.39 3g1m n ALA 197 N -2.39 1.91 -0.01 2.92 0.00 -1.26 -2.80 120.51 118.88 3g1m n ALA 197 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3g1m n ALA 197 Cb 0.61 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3g1m n ALA 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g1m n ARG 198 N -1.21 5.37 -0.00 0.00 5.12 0.74 -4.83 116.66 121.85 3g1m n ARG 198 Ca 0.08 -0.07 -0.08 0.00 -1.93 0.00 0.00 57.85 55.86 3g1m n ARG 198 Cb 0.10 -0.53 0.09 0.00 -1.16 0.00 0.00 32.46 30.96 3g1m n ARG 198 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 3g1m h VAL 199 N 0.01 1.31 0.10 1.55 3.04 -1.15 -2.15 116.25 118.95 3g1m h VAL 199 Ca 0.00 -1.65 -0.00 0.00 -1.01 0.00 0.00 66.70 64.04 3g1m h VAL 199 Cb 0.01 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 3g1m h VAL 199 CO 0.00 0.52 -0.05 0.25 -1.01 0.00 0.00 177.57 177.28 3g1m h LEU 200 N 0.45 -0.11 -1.04 3.16 6.46 -1.88 -0.69 115.31 121.66 3g1m h LEU 200 Ca 0.03 -0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 3g1m h LEU 200 Cb 0.96 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.89 3g1m h LEU 200 CO 0.09 -0.04 0.32 0.44 -0.62 0.00 0.00 178.44 178.63 3g1m h ASP 201 N -0.17 0.91 0.23 1.25 3.45 -1.89 -0.11 116.42 120.10 3g1m h ASP 201 Ca -0.01 -0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 3g1m h ASP 201 Cb 0.13 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 3g1m h ASP 201 CO 0.02 0.78 -0.11 0.74 -1.57 0.00 0.00 179.24 179.10 3g1m h THR 202 N 1.00 0.79 -0.52 0.35 2.02 -1.15 -1.60 112.91 113.80 3g1m h THR 202 Ca 0.24 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 67.17 3g1m h THR 202 Cb 0.12 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3g1m h THR 202 CO -0.03 0.03 -0.12 -0.07 0.37 0.00 0.00 175.52 175.71 3g1m h LEU 203 N -0.38 0.98 -0.46 2.58 3.38 -0.87 -2.72 115.31 117.82 3g1m h LEU 203 Ca -0.03 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3g1m h LEU 203 Cb 0.29 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3g1m h LEU 203 CO 0.05 1.09 0.30 0.58 0.09 0.00 0.00 178.44 180.56 3g1m h VAL 204 N 0.87 1.12 -0.54 1.22 2.07 -0.91 0.12 116.25 120.19 3g1m h VAL 204 Ca 0.14 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3g1m h VAL 204 Cb 0.67 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 3g1m h VAL 204 CO 0.05 0.12 0.23 -0.74 0.02 0.00 0.00 177.57 177.24 3g1m h HIS 205 N 0.62 0.41 -0.45 1.57 -0.00 -1.14 0.28 115.15 116.44 3g1m h HIS 205 Ca 0.17 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.42 3g1m h HIS 205 Cb -0.07 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 3g1m h HIS 205 CO -0.04 0.15 -0.28 0.82 -0.00 0.00 0.00 177.93 178.58 3g1m h ILE 206 N 0.43 1.27 -0.07 6.26 2.04 -1.11 -0.98 117.51 125.35 3g1m h ILE 206 Ca 0.26 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 3g1m h ILE 206 Cb 0.25 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3g1m h ILE 206 CO -0.23 0.49 0.04 -0.50 0.00 0.00 0.00 178.15 177.95 3g1m h TRP 207 N 0.82 0.11 -0.32 1.37 4.06 -0.65 -1.95 115.95 119.39 3g1m h TRP 207 Ca 0.09 -0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.96 3g1m h TRP 207 Cb 0.87 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.98 3g1m h TRP 207 CO 0.06 0.17 -0.11 0.28 -3.56 0.00 0.00 178.44 175.28 3g1m h VAL 208 N 0.01 1.28 -0.45 1.49 2.07 -0.81 -0.39 116.25 119.46 3g1m h VAL 208 Ca 0.03 -1.18 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 3g1m h VAL 208 Cb 0.10 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3g1m h VAL 208 CO -0.00 0.38 -0.06 0.71 0.02 0.00 0.00 177.57 178.61 3g1m h THR 209 N 0.40 1.25 0.00 2.57 1.35 -1.23 -0.72 112.91 116.53 3g1m h THR 209 Ca 0.08 -1.09 -0.19 0.00 -0.55 0.00 0.00 66.41 64.65 3g1m h THR 209 Cb 0.61 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.98 3g1m h THR 209 CO 0.04 0.38 -0.89 0.77 -0.25 0.00 0.00 175.52 175.56 3g1m h SER 210 N 0.72 0.03 0.49 5.36 4.64 -1.12 0.77 113.55 124.44 3g1m h SER 210 Ca 0.13 -0.03 -0.30 0.00 -0.47 0.00 0.00 61.79 61.12 3g1m h SER 210 Cb 0.53 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3g1m h SER 210 CO 0.03 0.91 -1.37 0.40 -0.87 0.00 0.00 176.83 175.92 3g1m h ILE 211 N 0.01 1.37 0.00 0.95 2.04 -0.96 -3.38 117.51 117.54 3g1m h ILE 211 Ca -0.01 -2.91 0.00 0.00 1.00 0.00 0.00 64.86 62.94 3g1m h ILE 211 Cb 1.57 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 40.59 3g1m h ILE 211 CO 0.12 0.86 -1.22 -1.22 0.00 0.00 0.00 178.15 176.69 3g1m n TYR 212 N -3.57 0.00 -2.32 1.37 4.02 -0.29 -4.33 117.16 112.04 3g1m n TYR 212 Ca -0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.34 3g1m n TYR 212 Cb 1.05 -0.16 -0.03 0.00 -0.02 0.00 0.00 39.34 40.19 3g1m n TYR 212 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3g1m s GLY 213 N -3.24 2.00 -0.05 2.72 0.00 0.26 -4.55 107.32 104.47 3g1m s GLY 213 Ca 0.02 0.80 -0.27 0.00 0.00 0.00 0.00 44.72 45.27 3g1m s GLY 213 CO 0.75 2.35 1.14 -2.09 0.00 0.00 0.00 173.10 175.26 3g1m h GLU 214 N 7.55 -0.00 0.00 2.90 4.57 -1.93 -3.46 114.58 124.20 3g1m h GLU 214 Ca -0.37 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 3g1m h GLU 214 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3g1m h GLU 214 CO 0.88 0.61 0.00 -1.71 -1.18 0.00 0.00 179.01 177.61