#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9x s GLN 13 N 0.00 1.67 0.83 1.57 -0.21 -1.26 -5.13 119.66 117.13 1m9x s GLN 13 Ca 0.00 -0.67 -0.12 0.00 0.02 0.00 0.00 55.36 54.59 1m9x s GLN 13 Cb 0.00 -1.55 0.10 0.00 1.00 0.00 0.00 33.01 32.56 1m9x s GLN 13 CO 0.00 0.36 1.16 0.00 -2.12 0.00 0.00 175.29 174.69 1m9x s ALA 14 N -0.29 1.81 0.52 6.09 0.00 -1.26 -4.92 121.76 123.72 1m9x s ALA 14 Ca 0.03 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 52.42 1m9x s ALA 14 Cb -0.09 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1m9x s ALA 14 CO 0.00 -2.32 1.28 -1.50 0.00 0.00 0.00 175.76 173.22 1m9x s ILE 15 N -2.47 2.48 0.36 0.00 2.07 -1.26 -4.95 121.20 117.44 1m9x s ILE 15 Ca 0.68 0.35 -0.15 0.00 -1.41 0.00 0.00 60.65 60.13 1m9x s ILE 15 Cb -0.24 -3.17 -0.09 0.00 0.13 0.00 0.00 42.46 39.09 1m9x s ILE 15 CO 0.53 -0.01 0.78 -0.94 -1.91 0.00 0.00 174.94 173.39 1m9x s SER 16 N -1.16 6.73 0.47 4.50 1.04 -1.26 -4.95 113.70 119.06 1m9x s SER 16 Ca 0.70 1.31 0.17 0.00 0.48 0.00 0.00 55.95 58.60 1m9x s SER 16 Cb -0.35 -2.39 1.15 0.00 0.10 0.00 0.00 66.02 64.53 1m9x s SER 16 CO 0.42 -0.28 2.00 -0.65 0.98 0.00 0.00 173.24 175.70 1m9x h PRO 17 N 1.93 0.26 -0.49 4.02 0.11 -1.99 -0.74 132.00 135.10 1m9x h PRO 17 Ca -0.48 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1m9x h PRO 17 Cb 1.18 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1m9x h PRO 17 CO 0.64 0.17 0.01 -0.09 -0.21 0.00 0.00 178.00 178.53 1m9x h ARG 18 N 0.26 0.80 -0.21 1.05 9.65 -2.00 0.99 114.38 124.93 1m9x h ARG 18 Ca 0.24 -0.21 -0.20 0.00 -1.10 0.00 0.00 59.98 58.71 1m9x h ARG 18 Cb 0.60 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1m9x h ARG 18 CO -0.05 0.80 -0.66 1.15 2.80 0.00 0.00 179.97 184.01 1m9x h THR 19 N 0.75 1.29 -0.44 0.20 2.02 -1.55 -2.75 112.91 112.41 1m9x h THR 19 Ca 0.15 -1.87 -0.05 0.00 0.77 0.00 0.00 66.41 65.41 1m9x h THR 19 Cb 0.44 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 1m9x h THR 19 CO 0.02 0.60 0.08 -0.07 0.37 0.00 0.00 175.52 176.51 1m9x h LEU 20 N 0.57 0.70 -0.14 2.58 3.38 -0.98 -1.80 115.31 119.62 1m9x h LEU 20 Ca -0.02 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1m9x h LEU 20 Cb 1.27 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1m9x h LEU 20 CO 0.14 0.78 -0.12 -1.13 0.09 0.00 0.00 178.44 178.19 1m9x h ASN 21 N 0.59 -0.40 -0.52 -0.43 -0.73 -0.77 0.48 115.58 113.81 1m9x h ASN 21 Ca 0.14 0.08 0.10 0.00 1.87 0.00 0.00 56.30 58.49 1m9x h ASN 21 Cb 0.37 0.20 -0.09 0.00 0.27 0.00 0.00 38.32 39.07 1m9x h ASN 21 CO 0.01 -0.16 -0.09 0.00 -0.37 0.00 0.00 177.43 176.81 1m9x h ALA 22 N 0.95 0.39 -0.70 1.57 0.00 -1.29 -0.59 119.26 119.59 1m9x h ALA 22 Ca 0.09 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1m9x h ALA 22 Cb 0.28 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1m9x h ALA 22 CO -0.23 -0.43 0.15 2.35 0.00 0.00 0.00 179.25 181.09 1m9x h TRP 23 N 0.03 1.20 -0.49 0.00 2.91 -0.76 -1.85 115.95 116.99 1m9x h TRP 23 Ca 0.25 -0.15 0.05 0.00 1.13 0.00 0.00 58.89 60.18 1m9x h TRP 23 Cb 0.39 -0.33 -0.05 0.00 -0.51 0.00 0.00 29.16 28.66 1m9x h TRP 23 CO -0.40 0.98 0.22 0.28 -1.03 0.00 0.00 178.44 178.48 1m9x h VAL 24 N 1.07 0.90 -0.47 2.65 2.07 -0.08 -2.39 116.25 119.99 1m9x h VAL 24 Ca 0.22 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1m9x h VAL 24 Cb 0.40 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1m9x h VAL 24 CO 0.01 0.08 0.31 0.11 0.02 0.00 0.00 177.57 178.10 1m9x h LYS 25 N 0.42 0.59 0.17 1.57 1.79 -0.72 -2.14 116.57 118.25 1m9x h LYS 25 Ca 0.23 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 1m9x h LYS 25 Cb 0.18 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1m9x h LYS 25 CO -0.19 0.39 -0.08 0.28 -1.08 0.00 0.00 179.45 178.77 1m9x h VAL 26 N 0.61 0.95 -0.73 0.50 2.07 -0.98 -2.95 116.25 115.72 1m9x h VAL 26 Ca 0.18 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1m9x h VAL 26 Cb -0.02 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1m9x h VAL 26 CO -0.04 0.15 0.37 0.58 0.02 0.00 0.00 177.57 178.65 1m9x h VAL 27 N -0.55 1.22 -0.24 2.57 2.07 -1.19 -3.11 116.25 117.02 1m9x h VAL 27 Ca -0.02 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 66.95 1m9x h VAL 27 Cb 0.41 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1m9x h VAL 27 CO 0.04 0.26 -0.08 -0.08 0.02 0.00 0.00 177.57 177.72 1m9x h GLU 28 N 1.02 -0.04 0.00 1.57 4.81 -1.41 -2.24 114.58 118.30 1m9x h GLU 28 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1m9x h GLU 28 Cb 0.07 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1m9x h GLU 28 CO -0.04 -0.02 0.00 -1.91 -0.73 0.00 0.00 179.01 176.31 1m9x n GLU 29 N -5.25 0.00 0.23 1.92 4.07 -1.12 -4.34 120.64 116.16 1m9x n GLU 29 Ca -0.01 0.12 0.17 0.00 -0.06 0.00 0.00 57.16 57.38 1m9x n GLU 29 Cb 0.17 -0.91 0.86 0.00 -0.06 0.00 0.00 31.44 31.50 1m9x n GLU 29 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1m9x h LYS 30 N 0.00 0.00 0.00 5.31 1.79 -1.69 -3.48 116.57 118.50 1m9x h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1m9x h LYS 30 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1m9x h LYS 30 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 1m9x n ALA 31 N -2.32 0.00 -2.85 3.86 0.00 -0.84 -2.76 120.51 115.60 1m9x n ALA 31 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1m9x n ALA 31 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 1m9x n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1m9x n PHE 32 N 8.10 2.72 -2.20 0.00 3.72 -1.26 -4.74 117.46 123.79 1m9x n PHE 32 Ca 0.00 -3.60 -0.30 0.00 -0.05 0.00 0.00 57.45 53.50 1m9x n PHE 32 Cb 0.00 -0.36 -0.00 0.00 -0.94 0.00 0.00 39.48 38.18 1m9x n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1m9x s SER 33 N -3.22 6.31 0.58 4.37 1.04 -1.11 -4.45 113.70 117.21 1m9x s SER 33 Ca 0.44 1.30 0.30 0.00 0.48 0.00 0.00 55.95 58.47 1m9x s SER 33 Cb 0.35 -2.41 1.42 0.00 0.10 0.00 0.00 66.02 65.48 1m9x s SER 33 CO -0.12 -0.73 1.80 -0.65 0.98 0.00 0.00 173.24 174.53 1m9x h PRO 34 N 0.09 0.00 0.00 4.02 0.11 -1.94 -2.44 132.00 131.84 1m9x h PRO 34 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1m9x h PRO 34 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1m9x h PRO 34 CO 0.62 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.34 1m9x h GLU 35 N 0.00 0.00 0.00 1.05 3.07 -1.98 -2.65 114.58 114.07 1m9x h GLU 35 Ca 0.34 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.19 1m9x h GLU 35 Cb 1.68 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.59 1m9x h GLU 35 CO -0.00 0.00 -0.04 -0.24 -1.40 0.00 0.00 179.01 177.33 1m9x h VAL 36 N 0.00 0.50 0.02 3.13 3.04 -1.79 -3.16 116.25 118.00 1m9x h VAL 36 Ca 0.00 -0.17 -0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1m9x h VAL 36 Cb 0.32 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1m9x h VAL 36 CO 0.00 0.04 -0.01 0.40 -1.01 0.00 0.00 177.57 176.99 1m9x h ILE 37 N 0.00 1.46 -0.83 3.17 2.04 -1.71 0.19 117.51 121.84 1m9x h ILE 37 Ca -0.00 -1.75 0.13 0.00 1.00 0.00 0.00 64.86 64.24 1m9x h ILE 37 Cb 0.11 2.59 -0.09 0.00 -0.74 0.00 0.00 36.82 38.69 1m9x h ILE 37 CO 0.00 0.43 0.43 -0.65 0.00 0.00 0.00 178.15 178.36 1m9x h PRO 38 N -0.82 0.62 -0.41 2.37 0.11 -1.76 -0.23 132.00 131.88 1m9x h PRO 38 Ca -0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1m9x h PRO 38 Cb 0.73 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1m9x h PRO 38 CO 0.01 0.41 0.16 0.52 -0.21 0.00 0.00 178.00 178.89 1m9x h MET 39 N 0.64 0.62 -0.50 1.05 2.86 -1.50 -1.53 114.93 116.58 1m9x h MET 39 Ca 0.44 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.99 1m9x h MET 39 Cb 0.57 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1m9x h MET 39 CO -0.33 0.58 0.28 0.35 1.06 0.00 0.00 176.91 178.85 1m9x h PHE 40 N 0.52 0.52 -0.77 -0.22 3.57 0.23 -1.66 116.94 119.12 1m9x h PHE 40 Ca 0.14 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1m9x h PHE 40 Cb 0.20 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1m9x h PHE 40 CO 0.00 0.28 0.51 0.77 -2.23 0.00 0.00 178.31 177.64 1m9x h SER 41 N 0.55 0.82 -0.09 0.41 0.02 -0.82 -1.84 113.55 112.62 1m9x h SER 41 Ca 0.21 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.97 1m9x h SER 41 Cb 0.06 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.42 1m9x h SER 41 CO -0.11 0.57 -0.64 0.00 -1.14 0.00 0.00 176.83 175.50 1m9x h ALA 42 N 1.55 0.19 0.00 3.77 0.00 -0.38 -3.12 119.26 121.28 1m9x h ALA 42 Ca 0.30 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1m9x h ALA 42 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1m9x h ALA 42 CO -0.09 0.48 0.00 -0.07 0.00 0.00 0.00 179.25 179.57 1m9x h LEU 43 N 0.21 0.00 -3.05 0.00 3.38 -1.23 -2.86 115.31 111.76 1m9x h LEU 43 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1m9x h LEU 43 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1m9x h LEU 43 CO 0.13 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.12 1m9x n SER 44 N -2.68 4.37 -4.68 -0.43 3.41 -0.71 -4.97 113.62 107.93 1m9x n SER 44 Ca 0.01 -2.35 -0.44 0.00 -0.26 0.00 0.00 58.87 55.83 1m9x n SER 44 Cb 0.26 -0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 1m9x n SER 44 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1m9x n GLU 45 N 1.06 2.59 -1.30 4.33 1.02 -1.08 -1.75 120.64 125.50 1m9x n GLU 45 Ca 0.24 0.94 -0.09 0.00 -0.02 0.00 0.00 57.16 58.24 1m9x n GLU 45 Cb 0.79 -2.83 -0.04 0.00 -0.02 0.00 0.00 31.44 29.35 1m9x n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1m9x n GLY 46 N 4.25 0.99 3.78 0.62 0.00 -1.26 -4.98 105.19 108.58 1m9x n GLY 46 Ca 0.19 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 1m9x n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9x s ALA 47 N -2.33 2.80 0.58 4.61 0.00 -0.72 -5.03 121.76 121.68 1m9x s ALA 47 Ca 0.00 0.78 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 1m9x s ALA 47 Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1m9x s ALA 47 CO 0.00 -0.61 0.92 0.95 0.00 0.00 0.00 175.76 177.03 1m9x s THR 48 N -1.79 4.19 0.29 0.00 -4.23 -1.26 -4.43 115.64 108.41 1m9x s THR 48 Ca 0.69 0.30 0.04 0.00 -1.18 0.00 0.00 61.69 61.54 1m9x s THR 48 Cb -0.22 -3.66 0.29 0.00 1.34 0.00 0.00 72.50 70.25 1m9x s THR 48 CO 0.26 -0.73 1.70 -0.65 -0.54 0.00 0.00 174.62 174.66 1m9x h PRO 49 N -0.16 0.40 -0.73 3.99 0.11 -1.85 -1.71 132.00 132.06 1m9x h PRO 49 Ca -0.46 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.72 1m9x h PRO 49 Cb 1.23 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1m9x h PRO 49 CO 0.62 0.27 0.38 0.37 -0.21 0.00 0.00 178.00 179.42 1m9x h GLN 50 N 0.42 0.62 -0.64 1.05 4.15 -1.91 -2.01 115.11 116.79 1m9x h GLN 50 Ca 0.57 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.91 1m9x h GLN 50 Cb 1.08 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 1m9x h GLN 50 CO -0.52 0.41 0.22 -0.44 -1.93 0.00 0.00 178.83 176.57 1m9x h ASP 51 N 0.64 0.91 -0.70 -0.69 3.32 -1.70 -0.94 116.42 117.25 1m9x h ASP 51 Ca 0.36 -0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.28 1m9x h ASP 51 Cb 0.36 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 1m9x h ASP 51 CO -0.26 0.86 0.40 -0.07 -1.72 0.00 0.00 179.24 178.44 1m9x h LEU 52 N 0.91 0.59 -0.68 1.55 3.38 -1.15 -0.33 115.31 119.57 1m9x h LEU 52 Ca 0.21 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 1m9x h LEU 52 Cb 0.26 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1m9x h LEU 52 CO -0.01 0.38 -0.26 0.78 0.09 0.00 0.00 178.44 179.41 1m9x h ASN 53 N 0.72 0.75 -0.72 -0.43 2.35 -0.98 -1.22 115.58 116.06 1m9x h ASN 53 Ca 0.32 -0.28 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1m9x h ASN 53 Cb 0.20 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1m9x h ASN 53 CO -0.19 0.98 0.22 0.71 -1.65 0.00 0.00 177.43 177.50 1m9x h THR 54 N 0.64 1.26 -0.60 2.81 1.35 -0.74 0.14 112.91 117.76 1m9x h THR 54 Ca 0.08 -0.90 -0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1m9x h THR 54 Cb 0.77 0.48 -0.03 0.00 -1.73 0.00 0.00 68.15 67.64 1m9x h THR 54 CO 0.06 0.35 0.37 0.24 -0.25 0.00 0.00 175.52 176.29 1m9x h MET 55 N 1.06 0.82 0.00 4.72 2.86 -0.84 -2.65 114.93 120.90 1m9x h MET 55 Ca 0.23 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.70 1m9x h MET 55 Cb 0.31 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1m9x h MET 55 CO -0.01 0.58 -0.47 -0.07 1.06 0.00 0.00 176.91 178.00 1m9x h LEU 56 N 0.82 0.00 -1.46 1.22 3.38 -0.35 -3.03 115.31 115.89 1m9x h LEU 56 Ca 0.22 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1m9x h LEU 56 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1m9x h LEU 56 CO -0.04 0.47 -0.17 0.78 0.09 0.00 0.00 178.44 179.57 1m9x h ASN 57 N 0.00 0.00 1.04 -0.43 2.35 -0.41 -2.75 115.58 115.38 1m9x h ASN 57 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1m9x h ASN 57 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1m9x h ASN 57 CO 0.06 0.17 0.00 0.00 -1.65 0.00 0.00 177.43 176.01 1m9x h THR 58 N 0.00 0.00 -1.85 2.81 1.03 -1.36 -3.41 112.91 110.14 1m9x h THR 58 Ca -0.00 -0.46 -0.55 0.00 -0.01 0.00 0.00 66.41 65.39 1m9x h THR 58 Cb 0.57 1.37 -0.08 0.00 -1.07 0.00 0.00 68.15 68.94 1m9x h THR 58 CO 0.02 0.00 1.21 -0.69 -0.01 0.00 0.00 175.52 176.06 1m9x s VAL 59 N -3.47 3.75 0.13 0.00 1.01 -1.04 -5.00 120.40 115.78 1m9x s VAL 59 Ca 0.03 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1m9x s VAL 59 Cb 0.09 -4.86 -0.04 0.00 0.00 0.00 0.00 36.38 31.57 1m9x s VAL 59 CO 0.51 -1.78 0.27 -0.83 0.00 0.00 0.00 175.10 173.27 1m9x s GLY 60 N 4.63 1.83 -0.31 4.51 0.00 -1.26 -4.65 107.32 112.07 1m9x s GLY 60 Ca 0.42 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1m9x s GLY 60 CO 0.06 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 172.81 1m9x n GLY 61 N -0.36 0.50 2.60 0.20 0.00 -1.26 -4.87 105.19 102.00 1m9x n GLY 61 Ca -0.06 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 1m9x n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1m9x n HIS 62 N -3.25 1.86 -0.24 1.61 -0.00 -1.26 -4.99 115.22 108.94 1m9x n HIS 62 Ca -0.03 -2.84 0.03 0.00 -0.00 0.00 0.00 57.72 54.87 1m9x n HIS 62 Cb 0.23 -0.28 0.15 0.00 -0.00 0.00 0.00 29.99 30.09 1m9x n HIS 62 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 1m9x h GLN 63 N 2.84 0.45 -0.07 -0.41 5.75 -1.91 -0.63 115.11 121.13 1m9x h GLN 63 Ca 0.03 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1m9x h GLN 63 Cb 1.12 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.56 1m9x h GLN 63 CO 0.59 0.30 0.04 0.00 -2.65 0.00 0.00 178.83 177.11 1m9x h ALA 64 N 1.48 0.09 -0.75 3.38 0.00 -1.99 -0.42 119.26 121.05 1m9x h ALA 64 Ca 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1m9x h ALA 64 Cb 0.50 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1m9x h ALA 64 CO -0.35 -0.39 0.29 0.00 0.00 0.00 0.00 179.25 178.81 1m9x h ALA 65 N 0.96 1.10 -0.28 0.00 0.00 -1.94 -1.53 119.26 117.58 1m9x h ALA 65 Ca 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1m9x h ALA 65 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1m9x h ALA 65 CO -0.00 0.64 -0.01 0.52 0.00 0.00 0.00 179.25 180.40 1m9x h MET 66 N 1.09 0.42 -0.09 0.00 2.07 -0.67 -1.57 114.93 116.19 1m9x h MET 66 Ca 0.25 -0.08 -0.17 0.00 -2.07 0.00 0.00 59.70 57.63 1m9x h MET 66 Cb 0.22 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 29.87 1m9x h MET 66 CO -0.02 0.46 -0.68 0.37 1.07 0.00 0.00 176.91 178.11 1m9x h GLN 67 N 0.41 0.37 -0.57 1.72 5.75 -0.46 -0.73 115.11 121.60 1m9x h GLN 67 Ca 0.09 -0.28 0.04 0.00 -0.15 0.00 0.00 58.65 58.35 1m9x h GLN 67 Cb 0.28 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.84 1m9x h GLN 67 CO 0.01 0.91 0.32 0.52 -2.65 0.00 0.00 178.83 177.95 1m9x h MET 68 N 0.26 0.61 -0.31 1.69 2.86 -0.54 -0.76 114.93 118.75 1m9x h MET 68 Ca -0.02 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1m9x h MET 68 Cb 1.23 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1m9x h MET 68 CO 0.11 0.40 0.11 1.25 1.06 0.00 0.00 176.91 179.84 1m9x h LEU 69 N 0.63 0.44 -0.89 1.22 5.85 -1.05 -1.91 115.31 119.59 1m9x h LEU 69 Ca 0.24 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1m9x h LEU 69 Cb 0.10 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1m9x h LEU 69 CO -0.14 0.51 0.57 0.11 -0.34 0.00 0.00 178.44 179.15 1m9x h LYS 70 N 0.34 1.05 -0.77 1.25 1.57 -0.77 -0.15 116.57 119.09 1m9x h LYS 70 Ca 0.10 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1m9x h LYS 70 Cb 0.22 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1m9x h LYS 70 CO -0.01 0.70 0.31 0.93 -0.57 0.00 0.00 179.45 180.81 1m9x h GLU 71 N 1.09 1.16 -0.53 3.15 5.08 -0.87 -0.00 114.58 123.65 1m9x h GLU 71 Ca 0.36 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1m9x h GLU 71 Cb 0.05 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1m9x h GLU 71 CO -0.13 0.94 0.30 1.15 -1.00 0.00 0.00 179.01 180.26 1m9x h THR 72 N 1.13 1.17 -0.46 1.13 2.02 -0.73 -1.11 112.91 116.05 1m9x h THR 72 Ca 0.26 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1m9x h THR 72 Cb 0.21 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1m9x h THR 72 CO -0.02 0.18 0.21 0.40 0.37 0.00 0.00 175.52 176.66 1m9x h ILE 73 N 0.71 1.19 -0.86 3.11 2.04 -0.55 0.39 117.51 123.54 1m9x h ILE 73 Ca 0.19 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1m9x h ILE 73 Cb 0.02 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1m9x h ILE 73 CO -0.03 0.21 0.44 0.78 0.00 0.00 0.00 178.15 179.55 1m9x h ASN 74 N 0.60 1.09 -0.15 1.72 -0.26 -0.75 0.50 115.58 118.33 1m9x h ASN 74 Ca 0.16 -0.11 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 1m9x h ASN 74 Cb 0.14 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 1m9x h ASN 74 CO -0.02 0.90 0.01 -0.33 -1.06 0.00 0.00 177.43 176.93 1m9x h GLU 75 N 1.21 0.26 -0.22 0.81 5.08 -0.85 -2.07 114.58 118.79 1m9x h GLU 75 Ca 0.30 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1m9x h GLU 75 Cb 0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1m9x h GLU 75 CO -0.04 0.47 -0.26 0.93 -1.00 0.00 0.00 179.01 179.11 1m9x h GLU 76 N 0.01 0.42 -0.26 2.33 4.39 -0.53 -2.17 114.58 118.78 1m9x h GLU 76 Ca 0.04 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1m9x h GLU 76 Cb 0.35 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1m9x h GLU 76 CO 0.01 0.65 0.13 0.00 -1.16 0.00 0.00 179.01 178.64 1m9x h ALA 77 N 1.35 0.33 -0.41 3.43 0.00 -0.81 -0.16 119.26 122.99 1m9x h ALA 77 Ca 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1m9x h ALA 77 Cb 0.66 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1m9x h ALA 77 CO 0.05 -0.12 0.04 0.00 0.00 0.00 0.00 179.25 179.23 1m9x h ALA 78 N 0.99 1.31 -0.34 0.00 0.00 -1.24 -1.47 119.26 118.51 1m9x h ALA 78 Ca 0.09 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1m9x h ALA 78 Cb 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1m9x h ALA 78 CO -0.01 0.47 -0.01 1.49 0.00 0.00 0.00 179.25 181.19 1m9x h GLU 79 N 0.61 0.60 -0.23 0.00 4.57 -0.98 -1.63 114.58 117.52 1m9x h GLU 79 Ca 0.13 -0.20 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1m9x h GLU 79 Cb 0.32 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 1m9x h GLU 79 CO 0.01 0.73 -0.05 2.35 -1.18 0.00 0.00 179.01 180.86 1m9x h TRP 80 N 0.40 -0.11 -1.00 0.92 2.91 -0.81 -1.70 115.95 116.56 1m9x h TRP 80 Ca 0.09 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.20 1m9x h TRP 80 Cb 0.46 0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 29.13 1m9x h TRP 80 CO 0.04 -0.09 0.64 -0.44 -1.03 0.00 0.00 178.44 177.56 1m9x h ASP 81 N 0.01 1.03 -0.65 2.65 3.32 -1.00 -1.85 116.42 119.92 1m9x h ASP 81 Ca 0.11 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1m9x h ASP 81 Cb 0.17 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1m9x h ASP 81 CO -0.23 0.66 0.30 -0.09 -1.72 0.00 0.00 179.24 178.16 1m9x h ARG 82 N 1.18 0.95 -0.00 3.56 2.43 -0.64 -2.72 114.38 119.14 1m9x h ARG 82 Ca 0.43 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1m9x h ARG 82 Cb 0.15 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1m9x h ARG 82 CO -0.17 0.77 -0.33 1.28 -1.51 0.00 0.00 179.97 180.01 1m9x n LEU 83 N -4.46 0.43 -3.65 3.80 4.77 -0.70 -4.42 117.00 112.76 1m9x n LEU 83 Ca 0.05 0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.84 1m9x n LEU 83 Cb 0.14 -0.29 -0.12 0.00 -2.33 0.00 0.00 43.42 40.82 1m9x n LEU 83 CO 0.39 0.10 -0.23 -1.00 -1.33 0.00 0.00 177.39 175.31 1m9x s HIS 84 N -2.91 1.97 0.50 -1.77 3.76 -0.73 -5.08 115.29 111.01 1m9x s HIS 84 Ca 0.14 -2.51 -0.21 0.00 -0.15 0.00 0.00 55.06 52.34 1m9x s HIS 84 Cb 0.18 -1.73 -0.07 0.00 1.11 0.00 0.00 32.58 32.07 1m9x s HIS 84 CO 0.63 -0.75 1.10 -1.25 -0.85 0.00 0.00 174.74 173.61 1m9x s PRO 85 N -0.00 3.64 0.24 8.40 0.05 -1.25 -4.80 135.00 141.29 1m9x s PRO 85 Ca 0.23 1.54 -0.31 0.00 0.05 0.00 0.00 61.00 62.51 1m9x s PRO 85 Cb -0.14 -2.14 -0.11 0.00 0.05 0.00 0.00 34.50 32.16 1m9x s PRO 85 CO -0.08 -0.60 1.63 0.08 0.05 0.00 0.00 177.00 178.08 1m9x s VAL 86 N -1.80 2.15 0.64 -0.36 1.01 -1.26 -5.01 120.40 115.77 1m9x s VAL 86 Ca 0.68 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.64 1m9x s VAL 86 Cb -0.22 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 1m9x s VAL 86 CO 0.26 0.01 1.07 0.00 0.00 0.00 0.00 175.10 176.44 1m9x s ALA 87 N 0.55 2.66 0.31 5.51 0.00 -1.26 -4.99 121.76 124.55 1m9x s ALA 87 Ca 0.68 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 52.66 1m9x s ALA 87 Cb -0.48 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.31 1m9x s ALA 87 CO 0.40 -1.04 1.46 -1.64 0.00 0.00 0.00 175.76 174.95 1m9x s MET 88 N -4.41 4.20 0.29 0.00 -1.94 -1.26 -5.02 119.30 111.16 1m9x s MET 88 Ca 0.62 2.43 -0.01 0.00 -1.71 0.00 0.00 55.69 57.02 1m9x s MET 88 Cb -0.16 -3.04 -0.04 0.00 2.01 0.00 0.00 34.83 33.60 1m9x s MET 88 CO 0.44 -0.46 0.50 0.00 -0.01 0.00 0.00 175.02 175.49 1m9x s ALA 89 N -0.55 3.73 0.35 3.03 0.00 -1.26 -4.62 121.76 122.45 1m9x s ALA 89 Ca 0.56 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 1m9x s ALA 89 Cb -0.44 -2.09 -0.10 0.00 0.00 0.00 0.00 23.12 20.48 1m9x s ALA 89 CO 0.52 0.17 0.96 -1.25 0.00 0.00 0.00 175.76 176.16 1m9x s PRO 90 N -3.88 4.47 0.51 0.00 0.04 -1.26 -5.16 135.00 129.72 1m9x s PRO 90 Ca 0.40 1.32 -0.20 0.00 0.04 0.00 0.00 61.00 62.55 1m9x s PRO 90 Cb -0.10 -2.67 -0.07 0.00 0.04 0.00 0.00 34.50 31.70 1m9x s PRO 90 CO 0.33 0.18 1.10 -1.50 0.04 0.00 0.00 177.00 177.14 1m9x s ILE 91 N -1.72 3.41 0.39 0.56 1.10 -1.26 -4.98 121.20 118.71 1m9x s ILE 91 Ca 0.53 0.91 -0.24 0.00 -0.51 0.00 0.00 60.65 61.33 1m9x s ILE 91 Cb -0.17 -3.38 -0.09 0.00 0.15 0.00 0.00 42.46 38.97 1m9x s ILE 91 CO 0.22 -0.17 1.06 0.00 -2.11 0.00 0.00 174.94 173.94 1m9x s ALA 92 N -1.82 3.11 0.18 1.50 0.00 -1.26 -4.96 121.76 118.51 1m9x s ALA 92 Ca 0.69 0.73 -0.31 0.00 0.00 0.00 0.00 51.96 53.07 1m9x s ALA 92 Cb -0.21 -3.28 -0.16 0.00 0.00 0.00 0.00 23.12 19.46 1m9x s ALA 92 CO 0.25 -0.22 0.86 -2.30 0.00 0.00 0.00 175.76 174.35 1m9x n PRO 93 N 0.03 0.57 0.00 0.00 -0.02 -1.26 -1.53 135.00 132.79 1m9x n PRO 93 Ca 0.04 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1m9x n PRO 93 Cb 0.49 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1m9x n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1m9x n GLY 94 N 1.77 2.63 3.91 -1.23 0.00 -1.26 -4.99 105.19 106.02 1m9x n GLY 94 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1m9x n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m9x s GLN 95 N 0.00 3.63 0.03 1.61 -0.21 -0.58 -5.09 119.66 119.04 1m9x s GLN 95 Ca 0.00 0.03 0.02 0.00 0.02 0.00 0.00 55.36 55.43 1m9x s GLN 95 Cb 0.00 -2.60 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 1m9x s GLN 95 CO 0.00 0.15 0.02 1.41 -2.12 0.00 0.00 175.29 174.75 1m9x s MET 96 N -3.74 2.77 1.04 2.91 -2.45 -1.26 -4.80 119.30 113.77 1m9x s MET 96 Ca 0.44 -0.66 -0.15 0.00 -1.25 0.00 0.00 55.69 54.07 1m9x s MET 96 Cb -0.10 -2.66 0.10 0.00 1.25 0.00 0.00 34.83 33.41 1m9x s MET 96 CO 0.32 0.60 0.38 2.89 1.05 0.00 0.00 175.02 180.25 1m9x n ARG 97 N 1.06 -1.08 -3.29 4.11 1.85 -1.26 -4.96 116.66 113.09 1m9x n ARG 97 Ca -0.13 -0.28 -0.38 0.00 -1.00 0.00 0.00 57.85 56.06 1m9x n ARG 97 Cb 0.52 -1.87 -0.06 0.00 -1.05 0.00 0.00 32.46 30.00 1m9x n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1m9x s GLU 98 N -3.73 4.24 0.43 2.89 0.41 -1.26 -5.02 118.70 116.66 1m9x s GLU 98 Ca 0.59 0.60 -0.25 0.00 -0.41 0.00 0.00 54.97 55.50 1m9x s GLU 98 Cb -0.18 -3.33 -0.08 0.00 -1.78 0.00 0.00 34.13 28.75 1m9x s GLU 98 CO 0.66 0.40 1.32 -1.25 -0.49 0.00 0.00 175.26 175.90 1m9x s PRO 99 N -0.23 3.84 0.73 0.39 0.04 -1.26 -5.03 135.00 133.47 1m9x s PRO 99 Ca 0.28 2.19 -0.05 0.00 0.04 0.00 0.00 61.00 63.46 1m9x s PRO 99 Cb -0.17 -2.68 0.10 0.00 0.04 0.00 0.00 34.50 31.79 1m9x s PRO 99 CO 0.15 -0.62 1.03 1.03 0.04 0.00 0.00 177.00 178.63 1m9x s ARG 100 N -2.36 1.79 0.18 4.56 1.81 -1.26 -4.93 118.95 118.74 1m9x s ARG 100 Ca 0.59 -0.65 -0.13 0.00 -1.72 0.00 0.00 55.73 53.82 1m9x s ARG 100 Cb -0.39 -2.21 0.15 0.00 -0.45 0.00 0.00 34.95 32.05 1m9x s ARG 100 CO 0.50 -1.45 1.77 0.78 -0.68 0.00 0.00 175.30 176.22 1m9x h GLY 101 N -0.67 0.70 2.00 -3.53 0.00 -1.91 -0.37 103.07 99.29 1m9x h GLY 101 Ca -0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1m9x h GLY 101 CO 0.48 0.08 -0.05 1.48 0.00 0.00 0.00 176.54 178.53 1m9x h SER 102 N 0.45 0.00 -0.08 0.19 4.64 -1.95 -1.50 113.55 115.30 1m9x h SER 102 Ca 0.23 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.40 1m9x h SER 102 Cb 0.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1m9x h SER 102 CO -0.18 0.05 -0.52 0.44 -0.87 0.00 0.00 176.83 175.75 1m9x h ASP 103 N 0.00 0.59 -0.47 4.97 3.32 -1.42 -1.17 116.42 122.24 1m9x h ASP 103 Ca -0.00 -0.67 -0.12 0.00 0.02 0.00 0.00 57.03 56.26 1m9x h ASP 103 Cb 0.37 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1m9x h ASP 103 CO 0.01 1.16 -0.17 0.40 -1.72 0.00 0.00 179.24 178.92 1m9x h ILE 104 N 0.06 1.27 0.00 0.35 2.04 -0.76 -2.76 117.51 117.71 1m9x h ILE 104 Ca -0.04 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1m9x h ILE 104 Cb 1.17 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1m9x h ILE 104 CO 0.11 0.46 0.00 0.00 0.00 0.00 0.00 178.15 178.71 1m9x n ALA 105 N -2.50 2.44 -0.31 1.87 0.00 -0.62 -4.59 120.51 116.80 1m9x n ALA 105 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1m9x n ALA 105 Cb 0.43 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1m9x n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9x n GLY 106 N 0.75 1.37 0.13 0.00 0.00 -1.04 -4.92 105.19 101.48 1m9x n GLY 106 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1m9x n GLY 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1m9x h THR 107 N 0.00 1.47 0.00 2.61 1.35 -1.47 -3.34 112.91 113.53 1m9x h THR 107 Ca 0.00 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.58 1m9x h THR 107 Cb 0.00 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1m9x h THR 107 CO 0.00 0.65 -0.08 0.35 -0.25 0.00 0.00 175.52 176.20 1m9x n THR 108 N -3.75 1.17 -4.54 6.82 -2.24 -1.08 -5.01 114.28 105.65 1m9x n THR 108 Ca -0.01 -1.35 -0.26 0.00 -2.27 0.00 0.00 64.05 60.16 1m9x n THR 108 Cb 0.66 0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.99 1m9x n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1m9x s SER 109 N -1.80 3.70 0.45 3.42 1.04 -1.25 -4.83 113.70 114.43 1m9x s SER 109 Ca 0.15 -1.20 0.08 0.00 0.48 0.00 0.00 55.95 55.46 1m9x s SER 109 Cb 0.13 -0.34 0.01 0.00 0.10 0.00 0.00 66.02 65.92 1m9x s SER 109 CO 0.01 -0.21 0.54 0.42 0.98 0.00 0.00 173.24 174.98 1m9x s THR 110 N -2.63 2.73 0.24 2.02 -4.23 -1.26 -4.93 115.64 107.57 1m9x s THR 110 Ca 0.32 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1m9x s THR 110 Cb 0.03 -2.84 0.04 0.00 1.34 0.00 0.00 72.50 71.06 1m9x s THR 110 CO 0.16 0.00 1.65 0.25 -0.54 0.00 0.00 174.62 176.15 1m9x h LEU 111 N 0.68 0.64 -0.31 4.79 5.85 -1.98 0.38 115.31 125.37 1m9x h LEU 111 Ca -0.39 -0.24 -0.20 0.00 0.84 0.00 0.00 57.88 57.90 1m9x h LEU 111 Cb 1.28 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1m9x h LEU 111 CO 0.48 0.89 -0.68 1.56 -0.34 0.00 0.00 178.44 180.36 1m9x h GLN 112 N 0.55 0.69 -0.04 1.25 1.08 -1.98 0.15 115.11 116.80 1m9x h GLN 112 Ca 0.07 -0.51 0.01 0.00 -1.45 0.00 0.00 58.65 56.78 1m9x h GLN 112 Cb 0.75 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.25 1m9x h GLN 112 CO 0.06 1.13 -0.05 0.93 -0.95 0.00 0.00 178.83 179.95 1m9x h GLU 113 N 0.50 -0.06 -0.69 1.46 5.08 -1.85 0.28 114.58 119.30 1m9x h GLU 113 Ca -0.02 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1m9x h GLU 113 Cb 1.28 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.46 1m9x h GLU 113 CO 0.13 -0.04 0.30 1.96 -1.00 0.00 0.00 179.01 180.37 1m9x h GLN 114 N -0.06 0.49 -0.40 2.33 4.20 0.00 -2.54 115.11 119.13 1m9x h GLN 114 Ca 0.03 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1m9x h GLN 114 Cb 0.11 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1m9x h GLN 114 CO -0.08 0.33 0.05 0.82 -0.67 0.00 0.00 178.83 179.28 1m9x h ILE 115 N 0.51 1.25 -0.80 2.54 2.04 -0.05 -2.98 117.51 120.01 1m9x h ILE 115 Ca 0.35 -0.90 0.14 0.00 1.00 0.00 0.00 64.86 65.45 1m9x h ILE 115 Cb 0.42 1.05 -0.09 0.00 -0.74 0.00 0.00 36.82 37.46 1m9x h ILE 115 CO -0.31 0.31 0.38 1.23 0.00 0.00 0.00 178.15 179.76 1m9x h GLY 116 N 0.52 1.26 1.42 5.37 0.00 -0.56 -1.60 103.07 109.49 1m9x h GLY 116 Ca 0.12 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 1m9x h GLY 116 CO 0.01 -0.05 -0.32 1.49 0.00 0.00 0.00 176.54 177.67 1m9x h TRP 117 N 0.55 0.76 0.00 5.60 6.55 -1.40 -1.50 115.95 126.51 1m9x h TRP 117 Ca 0.44 -0.20 -0.06 0.00 0.95 0.00 0.00 58.89 60.02 1m9x h TRP 117 Cb 0.62 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.74 1m9x h TRP 117 CO -0.12 0.89 -0.28 0.52 -1.05 0.00 0.00 178.44 178.41 1m9x h MET 118 N 0.56 0.00 0.08 0.49 2.86 -1.31 0.89 114.93 118.50 1m9x h MET 118 Ca 0.06 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.38 1m9x h MET 118 Cb 0.82 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 1m9x h MET 118 CO 0.07 0.28 -1.75 1.79 1.06 0.00 0.00 176.91 178.36 1m9x h THR 119 N 0.00 0.87 -3.60 2.22 1.35 -0.91 -3.45 112.91 109.39 1m9x h THR 119 Ca -0.00 -2.61 -0.57 0.00 -0.55 0.00 0.00 66.41 62.68 1m9x h THR 119 Cb 0.99 2.56 0.15 0.00 -1.73 0.00 0.00 68.15 70.12 1m9x h THR 119 CO 0.04 0.74 0.22 1.41 -0.25 0.00 0.00 175.52 177.68 1m9x n HIS 120 N -3.32 1.16 -3.47 4.73 -0.00 -0.60 -4.75 115.22 108.96 1m9x n HIS 120 Ca -0.22 0.45 -0.43 0.00 -0.00 0.00 0.00 57.72 57.53 1m9x n HIS 120 Cb 1.05 -2.19 -0.07 0.00 -0.00 0.00 0.00 29.99 28.77 1m9x n HIS 120 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1m9x s ASN 121 N -1.12 5.87 0.80 0.41 3.04 -1.26 0.32 114.94 123.00 1m9x s ASN 121 Ca 0.74 -1.88 -0.11 0.00 0.04 0.00 0.00 52.86 51.65 1m9x s ASN 121 Cb -0.43 -2.08 0.10 0.00 -1.54 0.00 0.00 41.25 37.30 1m9x s ASN 121 CO 0.48 -0.75 1.15 -2.84 -3.04 0.00 0.00 177.10 172.11 1m9x s PRO 122 N 1.43 1.73 0.40 0.43 0.02 -1.26 -5.14 135.00 132.60 1m9x s PRO 122 Ca 0.05 -0.19 -0.05 0.00 0.02 0.00 0.00 61.00 60.83 1m9x s PRO 122 Cb -0.27 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.18 1m9x s PRO 122 CO 0.00 -1.66 0.69 -1.25 -0.33 0.00 0.00 177.00 174.46 1m9x s PRO 123 N -5.52 3.61 -0.41 5.54 0.04 0.94 -5.00 135.00 134.20 1m9x s PRO 123 Ca 0.64 0.12 -0.12 0.00 0.04 0.00 0.00 61.00 61.68 1m9x s PRO 123 Cb -0.09 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 32.00 1m9x s PRO 123 CO 0.48 -0.01 0.27 0.42 0.04 0.00 0.00 177.00 178.20 1m9x s ILE 124 N -2.43 4.78 -1.34 0.56 1.09 0.31 -4.97 121.20 119.20 1m9x s ILE 124 Ca 0.46 -0.95 -0.13 0.00 -1.10 0.00 0.00 60.65 58.93 1m9x s ILE 124 Cb -0.10 -3.74 0.11 0.00 -1.06 0.00 0.00 42.46 37.66 1m9x s ILE 124 CO 0.37 -0.36 1.92 -0.81 -0.10 0.00 0.00 174.94 175.96 1m9x n PRO 125 N 5.05 3.24 -0.06 2.79 -0.04 -1.26 -3.14 135.00 141.58 1m9x n PRO 125 Ca -0.11 -3.20 0.07 0.00 -0.04 0.00 0.00 63.50 60.22 1m9x n PRO 125 Cb 0.45 -3.17 0.44 0.00 -0.04 0.00 0.00 33.50 31.18 1m9x n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1m9x h VAL 126 N 4.27 1.01 -0.23 0.52 -1.51 -1.88 -0.32 116.25 118.10 1m9x h VAL 126 Ca 0.46 -0.18 -0.12 0.00 -1.23 0.00 0.00 66.70 65.62 1m9x h VAL 126 Cb 0.71 0.43 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 1m9x h VAL 126 CO 1.64 0.10 -0.37 1.23 -1.23 0.00 0.00 177.57 178.94 1m9x h GLY 127 N 0.54 0.56 1.28 5.19 0.00 -1.87 -1.97 103.07 106.79 1m9x h GLY 127 Ca 0.23 -0.53 -0.18 0.00 0.00 0.00 0.00 47.33 46.85 1m9x h GLY 127 CO -0.06 0.48 -0.54 0.83 0.00 0.00 0.00 176.54 177.25 1m9x h GLU 128 N 0.43 0.76 0.32 4.80 4.39 -1.41 -0.21 114.58 123.67 1m9x h GLU 128 Ca 0.04 -0.48 -0.02 0.00 0.34 0.00 0.00 59.36 59.25 1m9x h GLU 128 Cb 0.84 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1m9x h GLU 128 CO 0.07 1.10 -0.15 0.82 -1.16 0.00 0.00 179.01 179.69 1m9x h ILE 129 N 0.59 0.70 -0.64 3.13 2.04 -1.05 -2.20 117.51 120.08 1m9x h ILE 129 Ca 0.01 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.79 1m9x h ILE 129 Cb 1.12 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1m9x h ILE 129 CO 0.11 0.03 0.36 0.22 0.00 0.00 0.00 178.15 178.87 1m9x h TYR 130 N -0.51 0.66 -0.98 1.37 3.20 -1.29 -2.30 116.97 117.13 1m9x h TYR 130 Ca -0.04 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.95 1m9x h TYR 130 Cb 0.38 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.37 1m9x h TYR 130 CO -0.04 0.33 0.63 -0.22 -1.64 0.00 0.00 178.16 177.22 1m9x h LYS 131 N 0.67 1.00 -0.51 1.82 3.64 -0.89 -1.11 116.57 121.19 1m9x h LYS 131 Ca 0.28 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1m9x h LYS 131 Cb 0.15 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1m9x h LYS 131 CO -0.17 0.66 0.34 -0.09 -2.27 0.00 0.00 179.45 177.92 1m9x h ARG 132 N 1.03 0.67 -0.36 1.90 2.43 -0.85 0.05 114.38 119.25 1m9x h ARG 132 Ca 0.46 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.62 1m9x h ARG 132 Cb 0.37 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1m9x h ARG 132 CO -0.22 0.44 0.16 -1.49 -1.51 0.00 0.00 179.97 177.35 1m9x h TRP 133 N 0.69 0.28 -0.53 2.20 6.55 -1.00 -1.53 115.95 122.61 1m9x h TRP 133 Ca 0.19 0.02 0.05 0.00 0.95 0.00 0.00 58.89 60.09 1m9x h TRP 133 Cb -0.08 -0.08 -0.05 0.00 -0.86 0.00 0.00 29.16 28.10 1m9x h TRP 133 CO -0.04 0.14 0.26 0.82 -1.05 0.00 0.00 178.44 178.57 1m9x h ILE 134 N 0.33 0.93 -0.39 1.49 2.04 -0.91 -1.28 117.51 119.73 1m9x h ILE 134 Ca 0.16 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 1m9x h ILE 134 Cb 0.09 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1m9x h ILE 134 CO -0.13 0.09 -0.00 0.40 0.00 0.00 0.00 178.15 178.51 1m9x h ILE 135 N 0.50 1.22 -0.27 -0.67 2.04 -0.69 0.19 117.51 119.84 1m9x h ILE 135 Ca 0.24 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1m9x h ILE 135 Cb 0.17 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1m9x h ILE 135 CO -0.18 0.30 0.03 -0.07 0.00 0.00 0.00 178.15 178.23 1m9x h LEU 136 N 0.58 0.45 -0.90 1.44 3.38 -0.72 -0.14 115.31 119.40 1m9x h LEU 136 Ca 0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1m9x h LEU 136 Cb 0.38 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1m9x h LEU 136 CO 0.01 0.62 0.35 1.23 0.09 0.00 0.00 178.44 180.74 1m9x h GLY 137 N 0.26 1.23 1.48 0.83 0.00 -0.34 -2.11 103.07 104.43 1m9x h GLY 137 Ca 0.08 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 1m9x h GLY 137 CO 0.01 0.60 0.11 1.41 0.00 0.00 0.00 176.54 178.67 1m9x h LEU 138 N 1.13 0.61 -0.91 3.11 3.38 -0.43 -0.91 115.31 121.29 1m9x h LEU 138 Ca 0.27 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1m9x h LEU 138 Cb 0.16 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1m9x h LEU 138 CO -0.03 0.61 0.60 0.78 0.09 0.00 0.00 178.44 180.49 1m9x h ASN 139 N 0.64 1.04 -0.78 -0.43 2.35 -0.73 0.10 115.58 117.79 1m9x h ASN 139 Ca 0.15 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1m9x h ASN 139 Cb 0.24 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 1m9x h ASN 139 CO -0.00 0.75 0.39 0.50 -1.65 0.00 0.00 177.43 177.42 1m9x h LYS 140 N 1.23 1.11 -0.07 0.81 3.64 -0.67 -1.22 116.57 121.40 1m9x h LYS 140 Ca 0.34 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1m9x h LYS 140 Cb -0.14 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.48 1m9x h LYS 140 CO -0.07 0.85 0.02 0.82 -2.27 0.00 0.00 179.45 178.80 1m9x h ILE 141 N 1.09 1.19 -0.81 2.00 2.04 -0.79 -2.57 117.51 119.66 1m9x h ILE 141 Ca 0.27 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1m9x h ILE 141 Cb 0.10 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 1m9x h ILE 141 CO -0.04 0.16 0.54 0.58 0.00 0.00 0.00 178.15 179.39 1m9x h VAL 142 N -0.10 1.19 -0.18 1.67 2.07 -0.58 -0.80 116.25 119.52 1m9x h VAL 142 Ca 0.02 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 1m9x h VAL 142 Cb 0.24 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1m9x h VAL 142 CO 0.00 0.20 -0.36 -0.09 0.02 0.00 0.00 177.57 177.34 1m9x h ARG 143 N 1.08 0.39 -0.03 1.57 2.43 -1.17 0.27 114.38 118.92 1m9x h ARG 143 Ca 0.30 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 59.18 1m9x h ARG 143 Cb -0.09 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1m9x h ARG 143 CO -0.07 0.70 -0.47 1.98 -1.51 0.00 0.00 179.97 180.60 1m9x h MET 144 N 0.33 0.37 0.00 0.20 4.05 -0.97 -3.35 114.93 115.55 1m9x h MET 144 Ca 0.04 -0.36 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 1m9x h MET 144 Cb 0.79 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 1m9x h MET 144 CO 0.06 1.03 -1.06 0.66 0.23 0.00 0.00 176.91 177.83 1m9x n TYR 145 N -4.31 0.38 -0.72 1.39 4.01 -0.37 -5.12 117.16 112.42 1m9x n TYR 145 Ca -0.10 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1m9x n TYR 145 Cb 0.60 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1m9x n TYR 145 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27