#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9x s ILE 2 N 0.00 4.45 0.06 4.25 1.09 -0.70 -0.51 121.20 129.84 1m9x s ILE 2 Ca 0.00 -0.19 -0.04 0.00 -1.10 0.00 0.00 60.65 59.33 1m9x s ILE 2 Cb 0.00 -2.90 -0.02 0.00 -1.06 0.00 0.00 42.46 38.47 1m9x s ILE 2 CO 0.00 0.58 0.05 0.68 -0.10 0.00 0.00 174.94 176.15 1m9x s VAL 3 N -0.63 0.18 0.63 2.92 -7.23 -0.02 -4.79 120.40 111.46 1m9x s VAL 3 Ca 0.10 -1.46 -0.12 0.00 -1.81 0.00 0.00 61.98 58.70 1m9x s VAL 3 Cb -0.12 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 1m9x s VAL 3 CO 0.02 -0.81 1.04 0.00 -0.31 0.00 0.00 175.10 175.04 1m9x s GLN 4 N -3.54 3.38 0.00 4.82 -2.07 -1.26 0.18 119.66 121.16 1m9x s GLN 4 Ca 0.03 0.88 0.00 0.00 -1.82 0.00 0.00 55.36 54.45 1m9x s GLN 4 Cb 0.05 -2.05 0.00 0.00 -1.09 0.00 0.00 33.01 29.92 1m9x s GLN 4 CO -0.09 -0.75 0.00 0.27 -1.32 0.00 0.00 175.29 173.40 1m9x n ASN 5 N -2.71 0.85 0.23 12.60 0.23 0.46 -4.73 115.26 122.19 1m9x n ASN 5 Ca 0.07 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.24 1m9x n ASN 5 Cb 0.54 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.56 1m9x n ASN 5 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1m9x h LEU 6 N 0.00 0.00 -2.86 -4.53 4.07 -1.99 -2.67 115.31 107.33 1m9x h LEU 6 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1m9x h LEU 6 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1m9x h LEU 6 CO 0.00 0.09 0.00 0.00 -1.08 0.00 0.00 178.44 177.45 1m9x n GLN 7 N -3.15 2.93 -0.57 1.13 3.00 -1.26 -4.98 117.38 114.48 1m9x n GLN 7 Ca 0.02 -2.55 0.00 0.00 -0.01 0.00 0.00 57.00 54.47 1m9x n GLN 7 Cb 0.49 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 29.18 1m9x n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1m9x n GLY 8 N 1.22 1.18 3.73 1.08 0.00 -1.01 -5.02 105.19 106.37 1m9x n GLY 8 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1m9x n GLY 8 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1m9x s GLN 9 N -0.26 4.34 -0.18 1.61 -2.07 -1.26 -4.54 119.66 117.30 1m9x s GLN 9 Ca 0.00 0.54 -0.31 0.00 -1.82 0.00 0.00 55.36 53.77 1m9x s GLN 9 Cb 0.00 -3.42 -0.08 0.00 -1.09 0.00 0.00 33.01 28.42 1m9x s GLN 9 CO 0.00 0.18 2.12 -1.33 -1.32 0.00 0.00 175.29 174.94 1m9x n MET 10 N 3.56 1.95 -4.31 9.60 2.81 -1.26 -0.41 117.12 129.06 1m9x n MET 10 Ca -0.06 0.61 -0.19 0.00 -1.81 0.00 0.00 57.70 56.24 1m9x n MET 10 Cb 0.52 -2.94 -0.11 0.00 -0.71 0.00 0.00 33.22 29.98 1m9x n MET 10 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1m9x s VAL 11 N 6.80 1.64 0.26 2.03 -7.23 0.46 -4.88 120.40 119.48 1m9x s VAL 11 Ca 1.00 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.90 1m9x s VAL 11 Cb -0.52 -1.83 -0.09 0.00 0.56 0.00 0.00 36.38 34.50 1m9x s VAL 11 CO 0.42 -0.45 1.04 -2.28 -0.31 0.00 0.00 175.10 173.52 1m9x s HIS 12 N -2.42 3.74 0.00 2.82 5.65 -1.26 -0.84 115.29 122.98 1m9x s HIS 12 Ca 0.16 1.78 0.00 0.00 0.25 0.00 0.00 55.06 57.26 1m9x s HIS 12 Cb -0.04 -3.17 -0.01 0.00 -1.18 0.00 0.00 32.58 28.19 1m9x s HIS 12 CO 0.06 -0.16 -0.01 -1.14 -0.65 0.00 0.00 174.74 172.84 1m9x s GLN 13 N -1.32 0.09 0.64 2.88 0.74 0.34 -4.96 119.66 118.07 1m9x s GLN 13 Ca 0.43 -0.16 -0.16 0.00 0.05 0.00 0.00 55.36 55.52 1m9x s GLN 13 Cb -0.30 0.00 -0.01 0.00 1.10 0.00 0.00 33.01 33.81 1m9x s GLN 13 CO 0.37 -0.01 1.14 0.00 -0.55 0.00 0.00 175.29 176.24 1m9x s ALA 14 N -0.35 2.48 0.47 1.58 0.00 -1.26 0.14 121.76 124.82 1m9x s ALA 14 Ca -0.04 0.69 -0.23 0.00 0.00 0.00 0.00 51.96 52.39 1m9x s ALA 14 Cb -0.02 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 1m9x s ALA 14 CO -0.00 -1.24 1.19 -1.50 0.00 0.00 0.00 175.76 174.21 1m9x s ILE 15 N -2.10 2.96 0.11 0.00 2.07 -1.26 -4.45 121.20 118.53 1m9x s ILE 15 Ca 0.70 0.72 -0.30 0.00 -1.41 0.00 0.00 60.65 60.36 1m9x s ILE 15 Cb -0.23 -3.36 -0.07 0.00 0.13 0.00 0.00 42.46 38.93 1m9x s ILE 15 CO 0.38 -0.01 1.18 -0.55 -1.91 0.00 0.00 174.94 174.03 1m9x s SER 16 N -1.31 7.11 0.48 4.50 0.15 -1.26 -4.91 113.70 118.47 1m9x s SER 16 Ca 0.65 2.08 0.22 0.00 0.70 0.00 0.00 55.95 59.60 1m9x s SER 16 Cb -0.30 -2.59 1.21 0.00 -1.71 0.00 0.00 66.02 62.63 1m9x s SER 16 CO 0.36 -0.40 2.01 1.55 1.20 0.00 0.00 173.24 177.97 1m9x h PRO 17 N 6.12 0.00 -0.52 5.44 0.13 -1.98 -0.14 132.00 141.05 1m9x h PRO 17 Ca -0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 1m9x h PRO 17 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1m9x h PRO 17 CO 0.78 0.17 0.03 0.00 -0.23 0.00 0.00 178.00 178.75 1m9x h ARG 18 N 0.00 0.89 -0.21 0.86 3.08 -1.98 0.12 114.38 117.14 1m9x h ARG 18 Ca -0.00 -0.27 -0.11 0.00 0.07 0.00 0.00 59.98 59.67 1m9x h ARG 18 Cb 0.38 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1m9x h ARG 18 CO 0.02 0.91 -0.30 1.15 -1.07 0.00 0.00 179.97 180.68 1m9x h THR 19 N 0.77 1.33 -0.84 2.04 2.02 -1.88 -0.03 112.91 116.31 1m9x h THR 19 Ca 0.15 -1.50 0.12 0.00 0.77 0.00 0.00 66.41 65.95 1m9x h THR 19 Cb 0.48 1.79 -0.08 0.00 -1.74 0.00 0.00 68.15 68.60 1m9x h THR 19 CO 0.02 0.46 0.46 -0.07 0.37 0.00 0.00 175.52 176.77 1m9x h LEU 20 N 0.26 0.62 -0.81 2.58 3.38 -0.86 -1.97 115.31 118.51 1m9x h LEU 20 Ca 0.02 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1m9x h LEU 20 Cb 0.87 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1m9x h LEU 20 CO 0.07 0.31 -0.47 0.78 0.09 0.00 0.00 178.44 179.22 1m9x h ASN 21 N 0.72 0.32 -0.63 -0.43 -0.26 -0.39 -0.54 115.58 114.37 1m9x h ASN 21 Ca 0.43 -0.15 -0.09 0.00 -0.56 0.00 0.00 56.30 55.94 1m9x h ASN 21 Cb 0.50 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.65 1m9x h ASN 21 CO -0.30 0.74 0.06 0.00 -1.06 0.00 0.00 177.43 176.87 1m9x h ALA 22 N 1.27 0.90 -0.63 -0.83 0.00 -0.51 -1.79 119.26 117.67 1m9x h ALA 22 Ca 0.01 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1m9x h ALA 22 Cb 0.92 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1m9x h ALA 22 CO 0.08 0.67 0.06 2.35 0.00 0.00 0.00 179.25 182.40 1m9x h TRP 23 N 1.00 1.14 -0.77 0.00 2.91 -0.75 -0.94 115.95 118.54 1m9x h TRP 23 Ca 0.19 -0.18 0.08 0.00 1.13 0.00 0.00 58.89 60.12 1m9x h TRP 23 Cb 0.49 -0.31 -0.07 0.00 -0.51 0.00 0.00 29.16 28.76 1m9x h TRP 23 CO 0.03 0.98 0.43 0.28 -1.03 0.00 0.00 178.44 179.14 1m9x h VAL 24 N 0.97 0.93 -0.09 2.65 2.07 -0.71 -1.99 116.25 120.08 1m9x h VAL 24 Ca 0.19 -0.26 -0.19 0.00 0.82 0.00 0.00 66.70 67.26 1m9x h VAL 24 Cb 0.49 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1m9x h VAL 24 CO 0.02 0.14 -0.72 0.11 0.02 0.00 0.00 177.57 177.13 1m9x h LYS 25 N 0.75 0.44 0.01 1.57 1.79 -0.91 0.17 116.57 120.40 1m9x h LYS 25 Ca 0.36 -0.36 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1m9x h LYS 25 Cb 0.30 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.99 1m9x h LYS 25 CO -0.23 0.99 -0.18 0.28 -1.08 0.00 0.00 179.45 179.23 1m9x h VAL 26 N 0.30 0.56 -0.72 0.50 2.07 -0.57 -1.90 116.25 116.49 1m9x h VAL 26 Ca -0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1m9x h VAL 26 Cb 1.30 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1m9x h VAL 26 CO 0.13 0.00 0.24 0.58 0.02 0.00 0.00 177.57 178.53 1m9x h VAL 27 N -0.30 1.26 -0.66 2.57 2.07 -1.20 -0.70 116.25 119.29 1m9x h VAL 27 Ca 0.05 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1m9x h VAL 27 Cb 0.37 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1m9x h VAL 27 CO -0.17 0.34 0.43 -0.33 0.02 0.00 0.00 177.57 177.87 1m9x h GLU 28 N 1.06 0.83 0.17 1.57 5.08 -0.81 0.93 114.58 123.40 1m9x h GLU 28 Ca 0.23 -0.05 -0.34 0.00 -1.00 0.00 0.00 59.36 58.20 1m9x h GLU 28 Cb 0.29 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1m9x h GLU 28 CO -0.01 0.55 -1.75 1.49 -1.00 0.00 0.00 179.01 178.29 1m9x h GLU 29 N 0.85 0.35 -0.04 2.33 4.57 -1.14 -3.40 114.58 118.10 1m9x h GLU 29 Ca 0.25 -0.60 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 1m9x h GLU 29 Cb -0.04 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1m9x h GLU 29 CO -0.06 1.29 0.00 1.63 -1.18 0.00 0.00 179.01 180.69 1m9x n LYS 30 N -3.63 0.51 0.00 1.92 5.02 -0.29 -5.08 118.16 116.61 1m9x n LYS 30 Ca -0.26 -1.12 0.00 0.00 -2.02 0.00 0.00 58.31 54.91 1m9x n LYS 30 Cb 1.04 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.89 1m9x n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m9x n ALA 31 N 0.45 0.00 -1.80 7.82 0.00 0.32 -2.06 120.51 125.24 1m9x n ALA 31 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 1m9x n ALA 31 Cb 0.23 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.72 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 14.00 2.97 -1.34 0.00 3.72 -1.26 -4.55 117.46 131.00 1m9x n PHE 32 Ca 0.00 -2.57 -0.30 0.00 -0.05 0.00 0.00 57.45 54.54 1m9x n PHE 32 Cb 0.00 -0.75 0.12 0.00 -0.94 0.00 0.00 39.48 37.91 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 -2.88 3.95 0.33 4.37 1.04 -0.87 -4.17 113.70 115.47 1m9x s SER 33 Ca 0.56 1.46 0.12 0.00 0.48 0.00 0.00 55.95 58.57 1m9x s SER 33 Cb 0.45 -2.16 0.99 0.00 0.10 0.00 0.00 66.02 65.39 1m9x s SER 33 CO -0.01 -2.33 1.70 -0.65 0.98 0.00 0.00 173.24 172.93 1m9x h PRO 34 N -1.34 0.44 0.00 4.02 0.11 -1.87 -1.00 132.00 132.37 1m9x h PRO 34 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1m9x h PRO 34 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1m9x h PRO 34 CO 0.56 0.29 0.00 0.93 -0.21 0.00 0.00 178.00 179.57 1m9x h GLU 35 N 0.46 0.00 0.00 1.05 3.07 -1.95 -2.43 114.58 114.77 1m9x h GLU 35 Ca 0.69 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.54 1m9x h GLU 35 Cb 1.45 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.36 1m9x h GLU 35 CO -0.53 0.00 -0.04 -0.24 -1.40 0.00 0.00 179.01 176.81 1m9x h VAL 36 N 0.00 0.08 0.13 3.13 3.04 -1.51 -3.18 116.25 117.94 1m9x h VAL 36 Ca 0.00 -0.73 -0.01 0.00 -1.01 0.00 0.00 66.70 64.95 1m9x h VAL 36 Cb 0.11 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 1m9x h VAL 36 CO 0.00 0.04 -0.06 0.40 -1.01 0.00 0.00 177.57 176.93 1m9x h ILE 37 N 0.00 1.04 0.00 3.17 2.04 -1.63 -0.85 117.51 121.28 1m9x h ILE 37 Ca -0.00 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1m9x h ILE 37 Cb 0.67 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1m9x h ILE 37 CO 0.00 0.23 -0.03 1.55 0.00 0.00 0.00 178.15 179.91 1m9x h PRO 38 N -0.69 0.00 -0.07 2.37 0.13 -1.76 -2.15 132.00 129.83 1m9x h PRO 38 Ca -0.02 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 1m9x h PRO 38 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1m9x h PRO 38 CO 0.03 0.03 -0.13 0.52 -0.23 0.00 0.00 178.00 178.21 1m9x h MET 39 N 0.00 0.21 -0.58 0.86 2.86 -1.44 -0.81 114.93 116.03 1m9x h MET 39 Ca -0.00 -0.14 0.12 0.00 -2.06 0.00 0.00 59.70 57.62 1m9x h MET 39 Cb 0.06 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.64 1m9x h MET 39 CO 0.00 0.72 -0.07 0.35 1.06 0.00 0.00 176.91 178.97 1m9x h PHE 40 N -0.27 -0.17 -0.86 -0.22 3.57 -0.99 0.58 116.94 118.59 1m9x h PHE 40 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1m9x h PHE 40 Cb 0.71 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 1m9x h PHE 40 CO 0.11 -0.20 0.55 1.03 -2.23 0.00 0.00 178.31 177.57 1m9x h SER 41 N 0.06 1.00 1.03 0.41 0.87 -1.13 -2.82 113.55 112.97 1m9x h SER 41 Ca 0.29 -0.04 -0.20 0.00 -1.23 0.00 0.00 61.79 60.61 1m9x h SER 41 Cb 0.46 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1m9x h SER 41 CO -0.55 0.75 -0.99 0.00 -0.53 0.00 0.00 176.83 175.51 1m9x h ALA 42 N 1.43 0.44 0.00 6.23 0.00 -0.18 -2.96 119.26 124.22 1m9x h ALA 42 Ca 0.31 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1m9x h ALA 42 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1m9x h ALA 42 CO -0.06 1.18 0.00 1.28 0.00 0.00 0.00 179.25 181.65 1m9x n LEU 43 N -3.30 0.00 -0.69 0.00 4.77 0.10 -4.13 117.00 113.76 1m9x n LEU 43 Ca -0.01 0.09 0.06 0.00 -0.03 0.00 0.00 56.01 56.11 1m9x n LEU 43 Cb 0.92 -0.09 0.15 0.00 -2.33 0.00 0.00 43.42 42.07 1m9x n LEU 43 CO 0.46 -0.00 0.33 -1.54 -1.33 0.00 0.00 177.39 175.31 1m9x n SER 44 N -1.09 1.59 -4.70 -1.43 3.41 -1.09 -4.98 113.62 105.34 1m9x n SER 44 Ca 0.21 -3.33 -0.42 0.00 -0.26 0.00 0.00 58.87 55.07 1m9x n SER 44 Cb 0.15 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 1m9x n SER 44 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1m9x s GLU 45 N -2.41 4.19 0.00 4.33 0.41 -1.25 -1.93 118.70 122.04 1m9x s GLU 45 Ca 0.34 2.41 0.00 0.00 -0.41 0.00 0.00 54.97 57.31 1m9x s GLU 45 Cb 0.34 -3.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.30 1m9x s GLU 45 CO -0.07 -0.71 0.00 0.41 -0.49 0.00 0.00 175.26 174.40 1m9x n GLY 46 N 3.95 0.38 3.77 -1.39 0.00 -1.26 -4.84 105.19 105.80 1m9x n GLY 46 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.83 3.39 0.55 4.61 0.00 -0.81 -1.72 121.76 125.93 1m9x s ALA 47 Ca 0.00 1.45 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 1m9x s ALA 47 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1m9x s ALA 47 CO 0.00 -1.03 0.89 0.95 0.00 0.00 0.00 175.76 176.57 1m9x s THR 48 N -1.18 4.59 0.31 0.00 -4.23 -1.26 -4.39 115.64 109.48 1m9x s THR 48 Ca 0.56 0.37 0.06 0.00 -1.18 0.00 0.00 61.69 61.50 1m9x s THR 48 Cb -0.43 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 69.92 1m9x s THR 48 CO 0.57 -0.86 1.80 -0.65 -0.54 0.00 0.00 174.62 174.93 1m9x h PRO 49 N -0.03 0.77 -0.65 3.99 0.11 -1.85 0.06 132.00 134.40 1m9x h PRO 49 Ca -0.46 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.64 1m9x h PRO 49 Cb 1.21 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 1m9x h PRO 49 CO 0.62 0.51 0.39 0.37 -0.21 0.00 0.00 178.00 179.67 1m9x h GLN 50 N 0.79 0.72 -0.46 1.05 4.15 -1.92 -0.90 115.11 118.54 1m9x h GLN 50 Ca 0.55 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.92 1m9x h GLN 50 Cb 0.83 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 1m9x h GLN 50 CO -0.34 0.48 0.24 -0.44 -1.93 0.00 0.00 178.83 176.84 1m9x h ASP 51 N 0.74 0.58 -0.47 -0.69 3.32 -1.51 -0.94 116.42 117.45 1m9x h ASP 51 Ca 0.27 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.27 1m9x h ASP 51 Cb 0.08 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 1m9x h ASP 51 CO -0.13 0.52 0.20 -0.07 -1.72 0.00 0.00 179.24 178.04 1m9x h LEU 52 N 0.60 0.26 -0.90 1.55 3.38 -0.62 -0.97 115.31 118.60 1m9x h LEU 52 Ca 0.16 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1m9x h LEU 52 Cb 0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1m9x h LEU 52 CO -0.02 0.18 0.13 0.78 0.09 0.00 0.00 178.44 179.60 1m9x h ASN 53 N 0.40 0.88 -0.77 -0.43 2.35 -0.92 -1.48 115.58 115.62 1m9x h ASN 53 Ca 0.21 -0.18 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1m9x h ASN 53 Cb 0.17 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.25 1m9x h ASN 53 CO -0.18 0.87 0.45 0.74 -1.65 0.00 0.00 177.43 177.66 1m9x h THR 54 N 0.90 0.99 -0.52 2.81 2.02 -0.65 0.33 112.91 118.79 1m9x h THR 54 Ca 0.19 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1m9x h THR 54 Cb 0.34 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1m9x h THR 54 CO 0.00 0.15 0.19 0.24 0.37 0.00 0.00 175.52 176.48 1m9x h MET 55 N 0.82 0.79 -0.02 6.66 2.86 -0.76 -2.53 114.93 122.75 1m9x h MET 55 Ca 0.34 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.70 1m9x h MET 55 Cb 0.20 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1m9x h MET 55 CO -0.19 0.71 -0.59 -0.07 1.06 0.00 0.00 176.91 177.83 1m9x h LEU 56 N 0.71 0.06 -1.69 1.22 3.38 -0.67 -2.89 115.31 115.43 1m9x h LEU 56 Ca 0.17 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1m9x h LEU 56 Cb 0.22 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1m9x h LEU 56 CO -0.01 0.64 -0.04 0.78 0.09 0.00 0.00 178.44 179.90 1m9x h ASN 57 N 0.04 0.00 1.26 -0.43 2.35 0.00 -2.82 115.58 115.97 1m9x h ASN 57 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1m9x h ASN 57 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1m9x h ASN 57 CO 0.08 0.04 0.00 0.35 -1.65 0.00 0.00 177.43 176.25 1m9x n THR 58 N -3.18 0.45 -2.24 2.81 -2.24 -0.98 -4.83 114.28 104.07 1m9x n THR 58 Ca -0.00 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1m9x n THR 58 Cb 0.28 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.87 1m9x n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1m9x s VAL 59 N -3.08 3.66 -0.05 2.28 1.01 -1.07 -4.95 120.40 118.21 1m9x s VAL 59 Ca 0.11 1.11 -0.05 0.00 0.00 0.00 0.00 61.98 63.15 1m9x s VAL 59 Cb 0.14 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1m9x s VAL 59 CO 0.55 0.03 0.19 -0.83 0.00 0.00 0.00 175.10 175.04 1m9x s GLY 60 N 1.60 2.19 0.00 4.51 0.00 -1.26 -4.97 107.32 109.39 1m9x s GLY 60 Ca 0.63 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.68 1m9x s GLY 60 CO 0.28 -0.49 0.00 0.61 0.00 0.00 0.00 173.10 173.50 1m9x n GLY 61 N 1.38 -0.81 4.05 0.20 0.00 -1.26 -4.94 105.19 103.81 1m9x n GLY 61 Ca -0.14 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 -1.75 0.04 1.61 -0.00 -1.26 -4.85 115.22 109.02 1m9x n HIS 62 Ca 0.00 0.78 0.03 0.00 -0.00 0.00 0.00 57.72 58.53 1m9x n HIS 62 Cb 0.00 -3.48 0.40 0.00 -0.00 0.00 0.00 29.99 26.91 1m9x n HIS 62 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1m9x h GLN 63 N -1.74 0.45 -0.09 -0.41 7.50 -1.98 -0.43 115.11 118.41 1m9x h GLN 63 Ca -0.61 -0.06 -0.17 0.00 0.50 0.00 0.00 58.65 58.31 1m9x h GLN 63 Cb 1.38 -0.09 0.01 0.00 0.05 0.00 0.00 27.48 28.83 1m9x h GLN 63 CO 0.69 0.39 -0.62 0.00 -1.50 0.00 0.00 178.83 177.78 1m9x h ALA 64 N 1.68 0.20 -0.43 3.87 0.00 -1.99 -1.75 119.26 120.83 1m9x h ALA 64 Ca 0.11 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1m9x h ALA 64 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1m9x h ALA 64 CO -0.01 0.47 0.14 0.00 0.00 0.00 0.00 179.25 179.85 1m9x h ALA 65 N 0.46 0.56 -0.52 0.00 0.00 -1.80 -1.01 119.26 116.95 1m9x h ALA 65 Ca -0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1m9x h ALA 65 Cb 1.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1m9x h ALA 65 CO 0.13 0.20 0.21 0.52 0.00 0.00 0.00 179.25 180.31 1m9x h MET 66 N 0.56 0.75 -0.20 0.00 2.07 -0.99 0.15 114.93 117.27 1m9x h MET 66 Ca 0.14 -0.11 -0.03 0.00 -2.07 0.00 0.00 59.70 57.63 1m9x h MET 66 Cb 0.24 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 29.83 1m9x h MET 66 CO -0.01 0.62 0.02 1.96 1.07 0.00 0.00 176.91 180.58 1m9x h GLN 67 N 0.75 0.35 -0.73 1.72 1.08 -0.98 -0.38 115.11 116.91 1m9x h GLN 67 Ca 0.18 -0.10 0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1m9x h GLN 67 Cb 0.15 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.50 1m9x h GLN 67 CO -0.02 0.51 0.47 1.98 -0.95 0.00 0.00 178.83 180.83 1m9x h MET 68 N 0.13 0.91 0.06 1.46 4.05 -0.82 -0.96 114.93 119.77 1m9x h MET 68 Ca 0.06 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1m9x h MET 68 Cb 0.34 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 1m9x h MET 68 CO 0.01 0.60 -0.06 1.25 0.23 0.00 0.00 176.91 178.94 1m9x h LEU 69 N 0.94 -0.15 -0.68 3.39 5.85 -0.40 -1.08 115.31 123.19 1m9x h LEU 69 Ca 0.28 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.05 1m9x h LEU 69 Cb -0.04 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 1m9x h LEU 69 CO -0.09 -0.09 0.42 0.50 -0.34 0.00 0.00 178.44 178.84 1m9x h LYS 70 N -0.13 0.78 -0.42 1.25 3.64 -0.89 -1.70 116.57 119.11 1m9x h LYS 70 Ca 0.00 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1m9x h LYS 70 Cb 0.12 -0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 31.69 1m9x h LYS 70 CO -0.01 0.51 -0.13 1.49 -2.27 0.00 0.00 179.45 179.04 1m9x h GLU 71 N 0.80 -0.03 -0.81 1.90 4.57 -0.84 -0.33 114.58 119.84 1m9x h GLU 71 Ca 0.28 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.51 1m9x h GLU 71 Cb 0.06 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 1m9x h GLU 71 CO -0.13 -0.02 0.50 1.15 -1.18 0.00 0.00 179.01 179.34 1m9x h THR 72 N -0.03 1.07 -0.41 0.32 2.02 -0.67 -1.23 112.91 113.98 1m9x h THR 72 Ca 0.20 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1m9x h THR 72 Cb 0.34 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1m9x h THR 72 CO -0.45 0.17 0.25 0.40 0.37 0.00 0.00 175.52 176.27 1m9x h ILE 73 N 0.95 1.12 -0.52 3.11 2.04 -1.06 -1.12 117.51 122.03 1m9x h ILE 73 Ca 0.34 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 1m9x h ILE 73 Cb 0.10 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1m9x h ILE 73 CO -0.14 0.12 0.01 0.78 0.00 0.00 0.00 178.15 178.92 1m9x h ASN 74 N 0.54 0.84 -0.82 1.72 -0.26 -0.54 0.44 115.58 117.51 1m9x h ASN 74 Ca 0.15 -0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1m9x h ASN 74 Cb -0.02 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 36.98 1m9x h ASN 74 CO -0.03 0.90 0.53 -0.33 -1.06 0.00 0.00 177.43 177.44 1m9x h GLU 75 N 0.81 1.09 -0.51 0.81 5.08 -0.82 -1.17 114.58 119.86 1m9x h GLU 75 Ca 0.16 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1m9x h GLU 75 Cb 0.47 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1m9x h GLU 75 CO 0.02 0.73 -0.05 0.93 -1.00 0.00 0.00 179.01 179.64 1m9x h GLU 76 N 1.11 0.90 -0.82 2.33 4.39 -0.64 -1.03 114.58 120.81 1m9x h GLU 76 Ca 0.30 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1m9x h GLU 76 Cb -0.10 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.43 1m9x h GLU 76 CO -0.06 0.93 0.37 0.00 -1.16 0.00 0.00 179.01 179.09 1m9x h ALA 77 N 1.11 1.07 -0.25 3.43 0.00 -0.68 -0.57 119.26 123.37 1m9x h ALA 77 Ca 0.14 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1m9x h ALA 77 Cb 0.56 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1m9x h ALA 77 CO 0.03 0.65 -0.41 0.00 0.00 0.00 0.00 179.25 179.53 1m9x h ALA 78 N 1.20 0.82 -0.25 0.00 0.00 -0.98 -2.23 119.26 117.83 1m9x h ALA 78 Ca 0.28 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1m9x h ALA 78 Cb 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1m9x h ALA 78 CO -0.03 0.65 0.04 0.93 0.00 0.00 0.00 179.25 180.83 1m9x h GLU 79 N 0.49 0.41 -0.58 0.00 4.39 -0.95 -0.81 114.58 117.52 1m9x h GLU 79 Ca 0.04 -0.11 0.12 0.00 0.34 0.00 0.00 59.36 59.74 1m9x h GLU 79 Cb 0.92 -0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 29.43 1m9x h GLU 79 CO 0.08 0.55 0.02 2.35 -1.16 0.00 0.00 179.01 180.85 1m9x h TRP 80 N 0.22 0.00 -0.52 4.33 2.91 -1.02 -1.73 115.95 120.13 1m9x h TRP 80 Ca 0.07 0.04 -0.05 0.00 1.13 0.00 0.00 58.89 60.09 1m9x h TRP 80 Cb 0.34 0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.05 1m9x h TRP 80 CO 0.02 -0.13 0.12 -0.44 -1.03 0.00 0.00 178.44 176.98 1m9x h ASP 81 N 0.14 0.75 -0.39 2.65 5.19 -1.01 -0.88 116.42 122.85 1m9x h ASP 81 Ca 0.30 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 1m9x h ASP 81 Cb 0.48 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1m9x h ASP 81 CO -0.48 0.74 0.19 -0.09 -3.12 0.00 0.00 179.24 176.49 1m9x h ARG 82 N 0.77 0.61 -0.02 3.56 2.43 -0.34 -2.52 114.38 118.86 1m9x h ARG 82 Ca 0.17 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1m9x h ARG 82 Cb 0.30 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1m9x h ARG 82 CO -0.00 0.49 -0.21 1.28 -1.51 0.00 0.00 179.97 180.02 1m9x n LEU 83 N -4.38 2.53 -3.64 3.80 4.77 -0.73 -4.64 117.00 114.70 1m9x n LEU 83 Ca 0.03 -0.89 -0.29 0.00 -0.03 0.00 0.00 56.01 54.84 1m9x n LEU 83 Cb 0.13 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.10 1m9x n LEU 83 CO 0.37 0.44 -0.24 -1.00 -1.33 0.00 0.00 177.39 175.63 1m9x s HIS 84 N -2.18 1.89 0.47 -1.77 3.76 -0.38 -5.07 115.29 112.02 1m9x s HIS 84 Ca 0.23 -2.47 -0.24 0.00 -0.15 0.00 0.00 55.06 52.44 1m9x s HIS 84 Cb 0.19 -1.68 -0.08 0.00 1.11 0.00 0.00 32.58 32.12 1m9x s HIS 84 CO 0.42 -0.76 1.21 -0.35 -0.85 0.00 0.00 174.74 174.41 1m9x n PRO 85 N 3.16 1.66 -2.32 8.40 -0.04 -1.26 -4.78 135.00 139.82 1m9x n PRO 85 Ca 0.16 0.60 -0.42 0.00 -0.04 0.00 0.00 63.50 63.80 1m9x n PRO 85 Cb 0.38 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.46 1m9x n PRO 85 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1m9x s VAL 86 N -1.27 3.70 0.02 0.52 1.01 -1.26 -5.05 120.40 118.06 1m9x s VAL 86 Ca 0.66 1.24 0.02 0.00 0.00 0.00 0.00 61.98 63.90 1m9x s VAL 86 Cb -0.48 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1m9x s VAL 86 CO 0.54 0.11 0.02 0.00 0.00 0.00 0.00 175.10 175.77 1m9x s ALA 87 N 0.93 3.34 0.29 5.51 0.00 -1.26 -5.12 121.76 125.45 1m9x s ALA 87 Ca 0.60 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 1m9x s ALA 87 Cb -0.33 -1.36 -0.09 0.00 0.00 0.00 0.00 23.12 21.34 1m9x s ALA 87 CO 0.31 0.67 1.08 -1.64 0.00 0.00 0.00 175.76 176.17 1m9x s MET 88 N -1.74 4.62 1.04 0.00 -1.94 -1.26 -5.01 119.30 115.01 1m9x s MET 88 Ca 0.21 1.74 -0.12 0.00 -1.71 0.00 0.00 55.69 55.81 1m9x s MET 88 Cb -0.12 -3.13 0.21 0.00 2.01 0.00 0.00 34.83 33.80 1m9x s MET 88 CO 0.13 0.21 1.07 0.00 -0.01 0.00 0.00 175.02 176.42 1m9x s ALA 89 N -1.21 0.56 0.59 3.03 0.00 -1.26 -4.97 121.76 118.50 1m9x s ALA 89 Ca 0.45 -0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 1m9x s ALA 89 Cb -0.30 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1m9x s ALA 89 CO 0.39 -3.12 1.02 -1.25 0.00 0.00 0.00 175.76 172.80 1m9x s PRO 90 N -4.80 3.64 -0.11 0.00 0.04 -1.26 -5.19 135.00 127.32 1m9x s PRO 90 Ca 0.66 0.85 -0.18 0.00 0.04 0.00 0.00 61.00 62.37 1m9x s PRO 90 Cb -0.21 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1m9x s PRO 90 CO 0.60 -0.54 0.47 -1.50 0.04 0.00 0.00 177.00 176.07 1m9x s ILE 91 N -2.96 5.18 0.54 0.56 1.10 -1.26 -5.07 121.20 119.28 1m9x s ILE 91 Ca 0.57 0.94 -0.16 0.00 -0.51 0.00 0.00 60.65 61.48 1m9x s ILE 91 Cb -0.11 -3.81 -0.07 0.00 0.15 0.00 0.00 42.46 38.63 1m9x s ILE 91 CO 0.46 0.34 1.01 0.00 -2.11 0.00 0.00 174.94 174.65 1m9x s ALA 92 N 0.51 2.96 0.27 1.50 0.00 -1.26 -4.98 121.76 120.76 1m9x s ALA 92 Ca 0.26 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 1m9x s ALA 92 Cb -0.15 -3.16 -0.11 0.00 0.00 0.00 0.00 23.12 19.70 1m9x s ALA 92 CO 0.10 -0.41 1.62 -2.14 0.00 0.00 0.00 175.76 174.93 1m9x s PRO 93 N -4.05 4.13 0.00 0.00 0.02 -1.26 -1.69 135.00 132.15 1m9x s PRO 93 Ca 0.61 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.19 1m9x s PRO 93 Cb -0.12 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1m9x s PRO 93 CO 0.33 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.75 1m9x n GLY 94 N 2.64 1.44 3.94 0.52 0.00 -1.26 -5.02 105.19 107.45 1m9x n GLY 94 Ca 0.10 0.00 -0.22 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 -0.37 2.40 0.10 1.61 -0.21 -0.68 -5.12 119.66 117.38 1m9x s GLN 95 Ca 0.00 -1.71 0.09 0.00 0.02 0.00 0.00 55.36 53.76 1m9x s GLN 95 Cb 0.00 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.60 1m9x s GLN 95 CO 0.00 -0.52 -0.22 -1.64 -2.12 0.00 0.00 175.29 170.78 1m9x s MET 96 N -4.34 1.25 0.63 2.91 -1.94 -1.26 -4.84 119.30 111.71 1m9x s MET 96 Ca 0.47 -1.16 -0.19 0.00 -1.71 0.00 0.00 55.69 53.10 1m9x s MET 96 Cb -0.04 -1.54 -0.02 0.00 2.01 0.00 0.00 34.83 35.23 1m9x s MET 96 CO 0.29 0.37 1.25 2.89 -0.01 0.00 0.00 175.02 179.80 1m9x n ARG 97 N 1.20 1.16 -2.31 2.03 1.85 -1.26 -4.98 116.66 114.34 1m9x n ARG 97 Ca -0.19 0.45 -0.42 0.00 -1.00 0.00 0.00 57.85 56.69 1m9x n ARG 97 Cb 0.53 -2.48 -0.03 0.00 -1.05 0.00 0.00 32.46 29.44 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 -3.20 4.41 0.41 2.89 0.41 -1.26 -4.99 118.70 117.37 1m9x s GLU 98 Ca 0.80 1.92 -0.24 0.00 -0.41 0.00 0.00 54.97 57.04 1m9x s GLU 98 Cb -0.39 -3.27 -0.09 0.00 -1.78 0.00 0.00 34.13 28.60 1m9x s GLU 98 CO 0.43 -0.26 1.06 -1.25 -0.49 0.00 0.00 175.26 174.75 1m9x s PRO 99 N 0.55 4.11 0.62 0.39 0.04 -1.26 -5.06 135.00 134.39 1m9x s PRO 99 Ca 0.58 1.54 0.02 0.00 0.04 0.00 0.00 61.00 63.18 1m9x s PRO 99 Cb -0.33 -2.51 0.08 0.00 0.04 0.00 0.00 34.50 31.77 1m9x s PRO 99 CO 0.33 -0.20 0.86 1.03 0.04 0.00 0.00 177.00 179.06 1m9x s ARG 100 N -2.54 2.17 0.23 4.56 1.81 -1.26 -4.91 118.95 119.01 1m9x s ARG 100 Ca 0.59 -1.04 -0.07 0.00 -1.72 0.00 0.00 55.73 53.49 1m9x s ARG 100 Cb -0.23 -2.45 0.35 0.00 -0.45 0.00 0.00 34.95 32.17 1m9x s ARG 100 CO 0.28 -1.01 1.76 0.78 -0.68 0.00 0.00 175.30 176.43 1m9x h GLY 101 N -0.14 1.03 2.00 -3.53 0.00 -1.91 -0.68 103.07 99.85 1m9x h GLY 101 Ca -0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1m9x h GLY 101 CO 0.46 -0.00 -0.05 1.48 0.00 0.00 0.00 176.54 178.43 1m9x h SER 102 N 0.51 0.00 0.16 0.19 4.64 -1.95 -1.86 113.55 115.24 1m9x h SER 102 Ca 0.36 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.39 1m9x h SER 102 Cb 0.44 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1m9x h SER 102 CO -0.31 0.05 -1.17 0.44 -0.87 0.00 0.00 176.83 174.97 1m9x h ASP 103 N 0.00 0.82 -0.59 4.97 3.32 -1.48 -0.66 116.42 122.81 1m9x h ASP 103 Ca -0.00 -0.73 -0.07 0.00 0.02 0.00 0.00 57.03 56.25 1m9x h ASP 103 Cb 0.41 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1m9x h ASP 103 CO 0.01 1.53 0.08 0.40 -1.72 0.00 0.00 179.24 179.54 1m9x h ILE 104 N 0.29 1.26 0.00 0.35 2.04 -0.88 -2.09 117.51 118.48 1m9x h ILE 104 Ca -0.16 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1m9x h ILE 104 Cb 1.83 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1m9x h ILE 104 CO 0.22 0.37 0.00 0.00 0.00 0.00 0.00 178.15 178.74 1m9x n ALA 105 N -2.44 2.32 -0.26 1.87 0.00 -0.75 -4.67 120.51 116.58 1m9x n ALA 105 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1m9x n ALA 105 Cb 0.29 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 0.74 1.52 0.33 0.00 0.00 -0.79 -4.89 105.19 102.09 1m9x n GLY 106 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 1m9x n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m9x h THR 107 N 0.00 1.25 -0.20 2.61 2.02 -1.39 -3.27 112.91 113.93 1m9x h THR 107 Ca 0.00 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1m9x h THR 107 Cb 0.00 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1m9x h THR 107 CO 0.00 0.30 0.00 0.35 0.37 0.00 0.00 175.52 176.54 1m9x n THR 108 N -4.35 1.06 -4.63 3.16 -2.24 -0.85 -5.01 114.28 101.42 1m9x n THR 108 Ca 0.07 -1.06 -0.29 0.00 -2.27 0.00 0.00 64.05 60.51 1m9x n THR 108 Cb 0.14 0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.07 3.09 0.62 3.42 1.04 -1.23 -4.84 113.70 114.72 1m9x s SER 109 Ca 0.15 -0.65 -0.07 0.00 0.48 0.00 0.00 55.95 55.86 1m9x s SER 109 Cb 0.08 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.98 1m9x s SER 109 CO 0.09 0.20 0.95 0.42 0.98 0.00 0.00 173.24 175.88 1m9x s THR 110 N -0.93 3.50 0.20 2.02 -4.23 -1.26 -4.83 115.64 110.10 1m9x s THR 110 Ca 0.12 0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 1m9x s THR 110 Cb -0.10 -3.42 0.12 0.00 1.34 0.00 0.00 72.50 70.44 1m9x s THR 110 CO 0.04 -0.45 1.78 0.25 -0.54 0.00 0.00 174.62 175.70 1m9x h LEU 111 N -0.30 0.39 -0.91 4.79 5.85 -1.99 -1.36 115.31 121.78 1m9x h LEU 111 Ca -0.45 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1m9x h LEU 111 Cb 1.26 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 1m9x h LEU 111 CO 0.61 0.25 0.47 1.56 -0.34 0.00 0.00 178.44 181.00 1m9x h GLN 112 N 0.54 1.24 -0.66 1.25 1.08 -1.99 0.12 115.11 116.69 1m9x h GLN 112 Ca 0.27 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.28 1m9x h GLN 112 Cb 0.22 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1m9x h GLN 112 CO -0.21 0.92 0.24 0.93 -0.95 0.00 0.00 178.83 179.76 1m9x h GLU 113 N 1.24 1.01 -0.49 1.46 5.08 -1.85 -1.17 114.58 119.86 1m9x h GLU 113 Ca 0.31 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1m9x h GLU 113 Cb 0.05 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1m9x h GLU 113 CO -0.05 0.86 0.29 1.96 -1.00 0.00 0.00 179.01 181.07 1m9x h GLN 114 N 0.94 0.57 -0.74 2.33 4.20 -0.19 0.18 115.11 122.40 1m9x h GLN 114 Ca 0.22 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 1m9x h GLN 114 Cb 0.25 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1m9x h GLN 114 CO -0.01 0.38 0.32 0.82 -0.67 0.00 0.00 178.83 179.66 1m9x h ILE 115 N 0.59 1.25 -0.70 2.54 2.04 -0.59 -1.38 117.51 121.25 1m9x h ILE 115 Ca 0.20 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 1m9x h ILE 115 Cb 0.02 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1m9x h ILE 115 CO -0.09 0.31 0.21 1.23 0.00 0.00 0.00 178.15 179.81 1m9x h GLY 116 N 1.05 1.16 1.10 5.37 0.00 -0.53 0.38 103.07 111.59 1m9x h GLY 116 Ca 0.25 -0.68 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1m9x h GLY 116 CO -0.02 0.64 -0.13 1.49 0.00 0.00 0.00 176.54 178.51 1m9x h TRP 117 N 1.04 1.15 0.00 5.60 6.55 -0.71 -2.98 115.95 126.61 1m9x h TRP 117 Ca 0.23 -0.25 -0.06 0.00 0.95 0.00 0.00 58.89 59.76 1m9x h TRP 117 Cb 0.30 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.31 1m9x h TRP 117 CO 0.02 1.07 -0.27 0.52 -1.05 0.00 0.00 178.44 178.74 1m9x h MET 118 N 0.90 0.00 -0.26 0.49 2.86 -0.71 -0.04 114.93 118.16 1m9x h MET 118 Ca 0.13 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1m9x h MET 118 Cb 0.70 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1m9x h MET 118 CO 0.05 0.27 -0.00 0.25 1.06 0.00 0.00 176.91 178.54 1m9x n THR 119 N -3.48 2.30 -2.26 2.22 -2.24 0.07 -4.72 114.28 106.17 1m9x n THR 119 Ca -0.00 -1.98 -0.25 0.00 -2.27 0.00 0.00 64.05 59.55 1m9x n THR 119 Cb 0.44 -0.26 0.08 0.00 -2.10 0.00 0.00 70.33 68.48 1m9x n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1m9x s HIS 120 N -2.88 2.63 -0.32 4.78 5.04 -1.13 -4.91 115.29 118.51 1m9x s HIS 120 Ca 0.42 0.30 0.03 0.00 -1.54 0.00 0.00 55.06 54.27 1m9x s HIS 120 Cb 0.35 -3.21 0.09 0.00 0.04 0.00 0.00 32.58 29.84 1m9x s HIS 120 CO 0.08 -1.51 0.02 -0.80 -2.34 0.00 0.00 174.74 170.19 1m9x s ASN 121 N -4.57 4.60 0.71 9.88 0.01 -1.26 -0.41 114.94 123.90 1m9x s ASN 121 Ca 0.62 -1.92 -0.11 0.00 -0.71 0.00 0.00 52.86 50.74 1m9x s ASN 121 Cb -0.09 -1.53 0.02 0.00 0.41 0.00 0.00 41.25 40.05 1m9x s ASN 121 CO 0.45 -0.34 1.10 -2.16 -1.51 0.00 0.00 177.10 174.64 1m9x s PRO 122 N 1.02 2.81 0.59 -0.60 0.05 -1.26 -5.12 135.00 132.50 1m9x s PRO 122 Ca 0.06 0.43 -0.14 0.00 0.05 0.00 0.00 61.00 61.40 1m9x s PRO 122 Cb -0.19 -2.02 -0.05 0.00 0.05 0.00 0.00 34.50 32.29 1m9x s PRO 122 CO -0.09 -1.06 1.03 -1.25 0.05 0.00 0.00 177.00 175.68 1m9x s PRO 123 N -5.36 3.54 -0.34 0.56 0.04 0.45 -5.02 135.00 128.87 1m9x s PRO 123 Ca 0.58 0.99 -0.05 0.00 0.04 0.00 0.00 61.00 62.56 1m9x s PRO 123 Cb -0.11 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.41 1m9x s PRO 123 CO 0.51 -0.62 0.09 0.42 0.04 0.00 0.00 177.00 177.45 1m9x s ILE 124 N -2.75 3.51 -1.41 0.56 1.09 -0.04 -4.96 121.20 117.20 1m9x s ILE 124 Ca 0.59 -1.31 -0.15 0.00 -1.10 0.00 0.00 60.65 58.68 1m9x s ILE 124 Cb -0.12 -3.04 0.06 0.00 -1.06 0.00 0.00 42.46 38.29 1m9x s ILE 124 CO 0.41 -0.22 2.09 -0.81 -0.10 0.00 0.00 174.94 176.31 1m9x n PRO 125 N 4.74 2.98 0.18 2.79 -0.04 -1.26 -3.44 135.00 140.94 1m9x n PRO 125 Ca -0.12 -2.82 0.06 0.00 -0.04 0.00 0.00 63.50 60.58 1m9x n PRO 125 Cb 0.44 -3.31 0.28 0.00 -0.04 0.00 0.00 33.50 30.86 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 4.34 0.82 -0.22 0.52 -1.51 -1.91 -0.86 116.25 117.43 1m9x h VAL 126 Ca 0.53 -1.63 -0.04 0.00 -1.23 0.00 0.00 66.70 64.33 1m9x h VAL 126 Cb 0.69 2.03 -0.01 0.00 -2.13 0.00 0.00 31.29 31.88 1m9x h VAL 126 CO 1.77 0.37 -0.01 1.23 -1.23 0.00 0.00 177.57 179.70 1m9x h GLY 127 N 2.44 0.44 1.29 5.19 0.00 -1.86 -1.14 103.07 109.42 1m9x h GLY 127 Ca -0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1m9x h GLY 127 CO 0.05 0.30 0.07 0.83 0.00 0.00 0.00 176.54 177.79 1m9x h GLU 128 N 0.16 0.88 -0.13 4.80 4.39 -1.66 -0.68 114.58 122.34 1m9x h GLU 128 Ca 0.06 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 1m9x h GLU 128 Cb 0.43 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1m9x h GLU 128 CO 0.01 0.83 -0.03 0.82 -1.16 0.00 0.00 179.01 179.48 1m9x h ILE 129 N 0.83 1.29 -0.75 3.13 2.04 -1.15 -1.23 117.51 121.67 1m9x h ILE 129 Ca 0.17 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 1m9x h ILE 129 Cb 0.39 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1m9x h ILE 129 CO 0.01 0.28 0.28 0.22 0.00 0.00 0.00 178.15 178.94 1m9x h TYR 130 N -0.05 1.16 -0.50 1.37 3.20 -1.16 -2.48 116.97 118.50 1m9x h TYR 130 Ca 0.03 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 61.84 1m9x h TYR 130 Cb 0.45 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1m9x h TYR 130 CO 0.05 0.89 0.27 -0.22 -1.64 0.00 0.00 178.16 177.51 1m9x h LYS 131 N 1.09 0.51 -0.71 1.82 3.64 -1.02 -0.84 116.57 121.05 1m9x h LYS 131 Ca 0.25 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.71 1m9x h LYS 131 Cb 0.24 -0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 31.87 1m9x h LYS 131 CO -0.02 0.34 0.31 0.00 -2.27 0.00 0.00 179.45 177.81 1m9x h ARG 132 N 0.52 0.48 -0.69 1.90 3.08 -0.96 0.23 114.38 118.94 1m9x h ARG 132 Ca 0.21 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 1m9x h ARG 132 Cb 0.10 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1m9x h ARG 132 CO -0.14 0.32 0.25 -1.49 -1.07 0.00 0.00 179.97 177.84 1m9x h TRP 133 N 0.49 1.07 -0.67 3.04 6.55 -0.81 -1.71 115.95 123.92 1m9x h TRP 133 Ca 0.37 -0.09 -0.06 0.00 0.95 0.00 0.00 58.89 60.06 1m9x h TRP 133 Cb 0.49 -0.32 -0.03 0.00 -0.86 0.00 0.00 29.16 28.45 1m9x h TRP 133 CO -0.15 0.85 0.20 0.82 -1.05 0.00 0.00 178.44 179.11 1m9x h ILE 134 N 0.99 1.25 -0.38 1.49 2.04 -0.51 -0.99 117.51 121.40 1m9x h ILE 134 Ca 0.23 -0.88 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 1m9x h ILE 134 Cb 0.25 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1m9x h ILE 134 CO -0.01 0.34 -0.06 0.40 0.00 0.00 0.00 178.15 178.82 1m9x h ILE 135 N 0.98 1.23 -0.56 -0.67 2.04 -0.71 0.15 117.51 119.97 1m9x h ILE 135 Ca 0.21 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 1m9x h ILE 135 Cb 0.31 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1m9x h ILE 135 CO -0.01 0.34 0.20 -0.07 0.00 0.00 0.00 178.15 178.62 1m9x h LEU 136 N 0.59 0.78 -0.45 1.44 3.38 -1.06 -1.51 115.31 118.49 1m9x h LEU 136 Ca 0.11 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1m9x h LEU 136 Cb 0.46 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1m9x h LEU 136 CO 0.02 0.75 0.30 1.23 0.09 0.00 0.00 178.44 180.83 1m9x h GLY 137 N 0.76 0.64 0.69 0.83 0.00 -0.12 -2.64 103.07 103.24 1m9x h GLY 137 Ca 0.18 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.36 1m9x h GLY 137 CO -0.01 0.23 0.65 1.41 0.00 0.00 0.00 176.54 178.81 1m9x h LEU 138 N 0.61 1.02 -0.58 3.11 3.38 -0.56 -0.38 115.31 121.90 1m9x h LEU 138 Ca 0.17 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1m9x h LEU 138 Cb -0.06 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 1m9x h LEU 138 CO -0.04 0.63 0.30 0.78 0.09 0.00 0.00 178.44 180.20 1m9x h ASN 139 N 1.14 0.43 -0.22 -0.43 2.35 -0.97 -0.54 115.58 117.34 1m9x h ASN 139 Ca 0.45 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 56.20 1m9x h ASN 139 Cb 0.23 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1m9x h ASN 139 CO -0.19 0.29 0.01 0.50 -1.65 0.00 0.00 177.43 176.38 1m9x h LYS 140 N 0.56 0.38 0.00 0.81 3.64 -1.05 -3.26 116.57 117.65 1m9x h LYS 140 Ca 0.26 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 1m9x h LYS 140 Cb 0.17 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1m9x h LYS 140 CO -0.18 0.56 -0.66 -0.84 -2.27 0.00 0.00 179.45 176.07 1m9x h ILE 141 N 0.15 1.34 0.00 2.00 3.07 -0.85 -2.52 117.51 120.70 1m9x h ILE 141 Ca 0.06 -2.35 -0.00 0.00 1.55 0.00 0.00 64.86 64.12 1m9x h ILE 141 Cb 0.39 2.31 -0.00 0.00 -0.27 0.00 0.00 36.82 39.25 1m9x h ILE 141 CO 0.01 0.64 -0.02 -0.37 -1.05 0.00 0.00 178.15 177.36 1m9x h VAL 142 N 0.00 0.40 0.00 0.16 -1.51 -1.15 -0.76 116.25 113.38 1m9x h VAL 142 Ca -0.01 -0.11 -0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1m9x h VAL 142 Cb 1.26 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1m9x h VAL 142 CO 0.09 0.02 -0.00 0.03 -1.23 0.00 0.00 177.57 176.47 1m9x h ARG 143 N 0.00 0.00 0.00 5.19 3.08 -1.49 -1.46 114.38 119.70 1m9x h ARG 143 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1m9x h ARG 143 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1m9x h ARG 143 CO 0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.58 1m9x n MET 144 N -3.28 0.11 -4.71 0.04 2.81 -0.29 -4.93 117.12 106.87 1m9x n MET 144 Ca -0.03 0.18 -0.32 0.00 -1.81 0.00 0.00 57.70 55.72 1m9x n MET 144 Cb 0.09 -1.65 -0.07 0.00 -0.71 0.00 0.00 33.22 30.87 1m9x n MET 144 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1m9x s TYR 145 N -3.08 1.78 0.00 2.03 1.51 -0.55 -5.11 117.35 113.93 1m9x s TYR 145 Ca 0.10 -1.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.08 1m9x s TYR 145 Cb 0.14 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.51 1m9x s TYR 145 CO 0.48 0.06 0.00 -1.13 -1.11 0.00 0.00 175.55 173.85