#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9y s ILE 2 N 0.00 3.16 0.01 4.25 1.09 -0.85 0.11 121.20 128.97 1m9y s ILE 2 Ca 0.00 -0.64 0.01 0.00 -1.10 0.00 0.00 60.65 58.92 1m9y s ILE 2 Cb 0.00 -2.32 -0.01 0.00 -1.06 0.00 0.00 42.46 39.07 1m9y s ILE 2 CO 0.00 0.54 -0.04 0.68 -0.10 0.00 0.00 174.94 176.02 1m9y s VAL 3 N 0.11 0.27 1.01 2.92 -7.23 0.14 -4.82 120.40 112.80 1m9y s VAL 3 Ca -0.05 -0.53 -0.12 0.00 -1.81 0.00 0.00 61.98 59.47 1m9y s VAL 3 Cb -0.15 -0.31 0.17 0.00 0.56 0.00 0.00 36.38 36.65 1m9y s VAL 3 CO 0.04 -0.17 0.93 1.67 -0.31 0.00 0.00 175.10 177.27 1m9y n GLN 4 N 2.32 -1.06 -0.54 4.82 7.27 -1.26 -0.84 117.38 128.09 1m9y n GLN 4 Ca -0.18 -0.26 0.00 0.00 0.07 0.00 0.00 57.00 56.64 1m9y n GLN 4 Cb 0.57 -2.20 0.00 0.00 2.41 0.00 0.00 30.24 31.02 1m9y n GLN 4 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1m9y n ASN 5 N -3.86 1.65 0.08 1.69 0.23 -0.88 -4.69 115.26 109.49 1m9y n ASN 5 Ca 0.08 -0.27 -0.10 0.00 -0.53 0.00 0.00 54.58 53.76 1m9y n ASN 5 Cb 0.53 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.15 1m9y n ASN 5 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1m9y h LEU 6 N 0.00 0.21 -0.19 -4.53 4.07 -1.97 -3.07 115.31 109.83 1m9y h LEU 6 Ca 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.75 1m9y h LEU 6 Cb 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.67 1m9y h LEU 6 CO 0.00 1.11 0.00 1.56 -1.08 0.00 0.00 178.44 180.03 1m9y h GLN 7 N 0.06 0.00 0.00 1.13 7.50 -2.03 -3.47 115.11 118.30 1m9y h GLN 7 Ca -0.06 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.09 1m9y h GLN 7 Cb 1.74 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.27 1m9y h GLN 7 CO 0.15 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.89 1m9y n GLY 8 N 0.99 2.32 3.71 3.46 0.00 -1.16 -5.07 105.19 109.44 1m9y n GLY 8 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1m9y n GLY 8 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1m9y s GLN 9 N -0.82 4.57 0.18 1.61 -2.07 -1.26 -4.33 119.66 117.54 1m9y s GLN 9 Ca 0.00 1.37 -0.32 0.00 -1.82 0.00 0.00 55.36 54.59 1m9y s GLN 9 Cb 0.00 -3.45 -0.12 0.00 -1.09 0.00 0.00 33.01 28.36 1m9y s GLN 9 CO 0.00 0.00 1.76 -1.64 -1.32 0.00 0.00 175.29 174.09 1m9y s MET 10 N 0.84 4.12 0.09 9.60 -1.94 -1.26 -2.06 119.30 128.69 1m9y s MET 10 Ca 0.50 2.62 -0.03 0.00 -1.71 0.00 0.00 55.69 57.07 1m9y s MET 10 Cb -0.21 -3.23 -0.03 0.00 2.01 0.00 0.00 34.83 33.37 1m9y s MET 10 CO 0.27 -0.79 0.05 0.14 -0.01 0.00 0.00 175.02 174.69 1m9y s VAL 11 N 1.66 0.16 0.20 -6.03 -7.23 -0.02 -4.94 120.40 104.20 1m9y s VAL 11 Ca 0.77 -1.72 -0.24 0.00 -1.81 0.00 0.00 61.98 58.97 1m9y s VAL 11 Cb -0.49 -1.69 -0.08 0.00 0.56 0.00 0.00 36.38 34.68 1m9y s VAL 11 CO 0.33 -0.72 0.79 -2.28 -0.31 0.00 0.00 175.10 172.91 1m9y s HIS 12 N -3.96 3.84 -0.00 2.82 5.65 -1.26 0.27 115.29 122.65 1m9y s HIS 12 Ca 0.13 1.61 0.00 0.00 0.25 0.00 0.00 55.06 57.06 1m9y s HIS 12 Cb 0.07 -2.76 -0.00 0.00 -1.18 0.00 0.00 32.58 28.71 1m9y s HIS 12 CO -0.06 0.45 -0.01 -1.14 -0.65 0.00 0.00 174.74 173.33 1m9y s GLN 13 N -1.41 0.12 0.71 2.88 0.74 0.12 -4.94 119.66 117.88 1m9y s GLN 13 Ca 0.39 -0.05 -0.15 0.00 0.05 0.00 0.00 55.36 55.60 1m9y s GLN 13 Cb -0.21 -0.12 0.03 0.00 1.10 0.00 0.00 33.01 33.80 1m9y s GLN 13 CO 0.25 0.03 1.20 0.00 -0.55 0.00 0.00 175.29 176.22 1m9y s ALA 14 N -0.01 2.21 0.25 1.58 0.00 -1.26 0.90 121.76 125.43 1m9y s ALA 14 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 1m9y s ALA 14 Cb -0.01 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 1m9y s ALA 14 CO -0.00 -1.73 1.25 -1.50 0.00 0.00 0.00 175.76 173.78 1m9y s ILE 15 N -1.97 3.15 0.12 0.00 1.10 -1.26 -4.55 121.20 117.79 1m9y s ILE 15 Ca 0.74 1.05 -0.31 0.00 -0.51 0.00 0.00 60.65 61.62 1m9y s ILE 15 Cb -0.28 -3.67 -0.08 0.00 0.15 0.00 0.00 42.46 38.57 1m9y s ILE 15 CO 0.43 0.21 1.45 -0.55 -2.11 0.00 0.00 174.94 174.37 1m9y s SER 16 N -0.18 6.75 0.47 4.50 0.15 -1.26 -4.90 113.70 119.23 1m9y s SER 16 Ca 0.51 2.41 0.13 0.00 0.70 0.00 0.00 55.95 59.70 1m9y s SER 16 Cb -0.36 -2.59 1.07 0.00 -1.71 0.00 0.00 66.02 62.43 1m9y s SER 16 CO 0.43 -0.71 2.08 -0.65 1.20 0.00 0.00 173.24 175.58 1m9y h PRO 17 N 6.91 0.16 -0.31 5.44 0.10 -1.98 -0.54 132.00 141.78 1m9y h PRO 17 Ca -0.42 -0.02 -0.05 0.00 0.10 0.00 0.00 66.00 65.62 1m9y h PRO 17 Cb 1.21 -0.03 -0.01 0.00 0.10 0.00 0.00 31.00 32.26 1m9y h PRO 17 CO 0.88 0.16 0.00 0.00 0.10 0.00 0.00 178.00 179.15 1m9y h ARG 18 N 0.16 0.54 -0.62 1.05 3.08 -1.98 0.25 114.38 116.86 1m9y h ARG 18 Ca 0.04 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1m9y h ARG 18 Cb 0.08 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1m9y h ARG 18 CO -0.00 0.68 0.36 1.15 -1.07 0.00 0.00 179.97 181.08 1m9y h THR 19 N 0.34 1.19 -0.76 2.04 2.02 -1.88 0.28 112.91 116.14 1m9y h THR 19 Ca 0.09 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 66.86 1m9y h THR 19 Cb 0.43 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1m9y h THR 19 CO 0.01 0.20 0.50 -0.07 0.37 0.00 0.00 175.52 176.53 1m9y h LEU 20 N 0.84 0.80 -0.42 2.58 3.38 -0.79 -1.35 115.31 120.35 1m9y h LEU 20 Ca 0.22 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.00 1m9y h LEU 20 Cb 0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1m9y h LEU 20 CO -0.04 0.55 -0.65 0.78 0.09 0.00 0.00 178.44 179.18 1m9y h ASN 21 N 0.93 0.62 -0.74 -0.43 2.35 -0.10 0.27 115.58 118.48 1m9y h ASN 21 Ca 0.30 -0.37 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 1m9y h ASN 21 Cb 0.04 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1m9y h ASN 21 CO -0.08 1.11 0.38 0.00 -1.65 0.00 0.00 177.43 177.18 1m9y h ALA 22 N 0.89 0.95 -0.66 -0.83 0.00 -0.47 -1.57 119.26 117.57 1m9y h ALA 22 Ca -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1m9y h ALA 22 Cb 1.21 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1m9y h ALA 22 CO 0.12 0.50 0.17 2.35 0.00 0.00 0.00 179.25 182.39 1m9y h TRP 23 N 1.03 1.10 -0.56 0.00 2.91 -0.61 -1.71 115.95 118.10 1m9y h TRP 23 Ca 0.26 -0.13 0.06 0.00 1.13 0.00 0.00 58.89 60.21 1m9y h TRP 23 Cb 0.09 -0.31 -0.05 0.00 -0.51 0.00 0.00 29.16 28.37 1m9y h TRP 23 CO 0.00 0.91 0.27 0.28 -1.03 0.00 0.00 178.44 178.87 1m9y h VAL 24 N 0.98 0.92 -0.19 2.65 2.07 -0.74 -2.48 116.25 119.45 1m9y h VAL 24 Ca 0.21 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.45 1m9y h VAL 24 Cb 0.35 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1m9y h VAL 24 CO 0.00 0.09 -0.32 0.11 0.02 0.00 0.00 177.57 177.48 1m9y h LYS 25 N 0.52 0.39 -0.12 1.57 1.79 -0.93 -0.04 116.57 119.76 1m9y h LYS 25 Ca 0.26 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1m9y h LYS 25 Cb 0.20 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1m9y h LYS 25 CO -0.19 0.67 0.05 0.28 -1.08 0.00 0.00 179.45 179.18 1m9y h VAL 26 N 0.34 1.12 -0.33 0.50 2.07 -1.06 -1.68 116.25 117.20 1m9y h VAL 26 Ca 0.04 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1m9y h VAL 26 Cb 0.73 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1m9y h VAL 26 CO 0.06 0.11 -0.05 0.58 0.02 0.00 0.00 177.57 178.29 1m9y h VAL 27 N 0.06 1.21 -0.45 2.57 2.07 -1.28 0.33 116.25 120.76 1m9y h VAL 27 Ca 0.04 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 1m9y h VAL 27 Cb 0.13 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1m9y h VAL 27 CO -0.00 0.30 -0.11 -0.33 0.02 0.00 0.00 177.57 177.44 1m9y h GLU 28 N 0.51 0.87 0.03 1.57 5.08 -0.65 0.14 114.58 122.12 1m9y h GLU 28 Ca 0.10 -0.34 -0.26 0.00 -1.00 0.00 0.00 59.36 57.87 1m9y h GLU 28 Cb 0.40 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1m9y h GLU 28 CO 0.02 0.98 -1.36 1.49 -1.00 0.00 0.00 179.01 179.13 1m9y h GLU 29 N 0.70 0.06 -0.00 2.33 4.57 -1.14 -3.39 114.58 117.71 1m9y h GLU 29 Ca 0.11 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1m9y h GLU 29 Cb 0.66 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1m9y h GLU 29 CO 0.05 0.86 -0.02 1.63 -1.18 0.00 0.00 179.01 180.35 1m9y n LYS 30 N -3.27 3.62 0.00 1.92 5.02 0.09 -5.07 118.16 120.47 1m9y n LYS 30 Ca -0.09 -0.22 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 1m9y n LYS 30 Cb 1.00 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 1m9y n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m9y n ALA 31 N -0.58 0.00 -2.14 7.82 0.00 0.03 -1.87 120.51 123.77 1m9y n ALA 31 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 1m9y n ALA 31 Cb 0.01 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.48 1m9y n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1m9y n PHE 32 N 14.00 3.18 -1.48 0.00 3.72 -1.26 -4.63 117.46 130.99 1m9y n PHE 32 Ca 0.00 -2.74 -0.30 0.00 -0.05 0.00 0.00 57.45 54.36 1m9y n PHE 32 Cb 0.00 -0.59 0.10 0.00 -0.94 0.00 0.00 39.48 38.05 1m9y n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1m9y s SER 33 N -2.59 4.20 0.30 4.37 1.04 -0.78 -4.23 113.70 116.02 1m9y s SER 33 Ca 0.51 1.32 0.04 0.00 0.48 0.00 0.00 55.95 58.30 1m9y s SER 33 Cb 0.42 -2.03 0.80 0.00 0.10 0.00 0.00 66.02 65.31 1m9y s SER 33 CO -0.22 -2.16 1.62 -0.65 0.98 0.00 0.00 173.24 172.81 1m9y h PRO 34 N -1.22 0.13 0.00 4.02 0.11 -1.88 -1.75 132.00 131.41 1m9y h PRO 34 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1m9y h PRO 34 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1m9y h PRO 34 CO 0.58 0.08 0.00 0.39 -0.21 0.00 0.00 178.00 178.85 1m9y n GLU 35 N -5.30 0.12 0.20 1.05 4.71 -1.26 -1.44 120.64 118.71 1m9y n GLU 35 Ca 0.24 0.52 0.07 0.00 -0.01 0.00 0.00 57.16 57.98 1m9y n GLU 35 Cb 0.78 -1.81 0.33 0.00 -1.01 0.00 0.00 31.44 29.72 1m9y n GLU 35 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 177.13 176.98 1m9y h VAL 36 N 0.00 0.69 0.43 2.62 3.04 -1.64 -3.14 116.25 118.24 1m9y h VAL 36 Ca 0.00 -1.45 -0.02 0.00 -1.01 0.00 0.00 66.70 64.22 1m9y h VAL 36 Cb 0.13 1.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1m9y h VAL 36 CO 0.00 0.31 -0.20 0.40 -1.01 0.00 0.00 177.57 177.07 1m9y h ILE 37 N 0.00 0.47 -0.29 3.17 2.04 -1.45 -1.31 117.51 120.14 1m9y h ILE 37 Ca -0.00 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1m9y h ILE 37 Cb 0.93 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1m9y h ILE 37 CO 0.04 0.08 0.18 1.55 0.00 0.00 0.00 178.15 180.00 1m9y h PRO 38 N -0.91 0.38 -0.46 2.37 0.13 -1.73 -2.54 132.00 129.24 1m9y h PRO 38 Ca -0.06 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 1m9y h PRO 38 Cb 0.56 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 1m9y h PRO 38 CO 0.10 0.26 0.17 0.52 -0.23 0.00 0.00 178.00 178.81 1m9y h MET 39 N 0.39 0.70 -0.78 0.86 2.86 -1.48 -0.32 114.93 117.16 1m9y h MET 39 Ca 0.10 -0.14 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1m9y h MET 39 Cb -0.03 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.46 1m9y h MET 39 CO -0.02 0.65 0.47 0.35 1.06 0.00 0.00 176.91 179.42 1m9y h PHE 40 N 0.60 0.87 -0.19 -0.22 3.57 -1.05 0.33 116.94 120.84 1m9y h PHE 40 Ca 0.15 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 1m9y h PHE 40 Cb 0.23 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1m9y h PHE 40 CO 0.01 0.44 -0.38 1.03 -2.23 0.00 0.00 178.31 177.17 1m9y h SER 41 N 0.86 0.44 0.82 0.41 0.87 -1.04 -2.65 113.55 113.27 1m9y h SER 41 Ca 0.34 -0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.54 1m9y h SER 41 Cb 0.16 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1m9y h SER 41 CO -0.17 0.79 -0.82 0.00 -0.53 0.00 0.00 176.83 176.10 1m9y h ALA 42 N 1.24 0.65 -0.01 6.23 0.00 -0.01 -2.46 119.26 124.89 1m9y h ALA 42 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1m9y h ALA 42 Cb 0.83 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1m9y h ALA 42 CO 0.07 1.02 -0.04 1.28 0.00 0.00 0.00 179.25 181.58 1m9y n LEU 43 N -3.56 0.77 -0.68 0.00 4.77 0.10 -4.23 117.00 114.16 1m9y n LEU 43 Ca -0.01 -0.21 0.06 0.00 -0.03 0.00 0.00 56.01 55.82 1m9y n LEU 43 Cb 0.79 -0.06 0.14 0.00 -2.33 0.00 0.00 43.42 41.96 1m9y n LEU 43 CO 0.45 0.13 0.33 -1.54 -1.33 0.00 0.00 177.39 175.43 1m9y n SER 44 N -0.51 1.53 -4.69 -1.43 3.41 -0.93 -5.01 113.62 105.99 1m9y n SER 44 Ca 0.19 -3.16 -0.44 0.00 -0.26 0.00 0.00 58.87 55.19 1m9y n SER 44 Cb 0.26 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 1m9y n SER 44 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1m9y n GLU 45 N -0.74 2.51 -0.97 4.33 -0.58 -1.23 -1.84 120.64 122.13 1m9y n GLU 45 Ca 0.14 0.91 0.00 0.00 -0.42 0.00 0.00 57.16 57.78 1m9y n GLU 45 Cb 0.78 -2.72 0.00 0.00 -0.57 0.00 0.00 31.44 28.93 1m9y n GLU 45 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1m9y n GLY 46 N 3.78 0.32 3.75 0.62 0.00 -1.26 -4.84 105.19 107.56 1m9y n GLY 46 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1m9y n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9y n ALA 47 N 1.00 2.06 -2.05 4.61 0.00 -0.76 -2.01 120.51 123.35 1m9y n ALA 47 Ca 0.00 0.35 -0.27 0.00 0.00 0.00 0.00 53.44 53.52 1m9y n ALA 47 Cb 0.19 -2.37 0.04 0.00 0.00 0.00 0.00 19.45 17.30 1m9y n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1m9y s THR 48 N -1.07 3.53 0.36 0.00 -4.23 -1.26 -4.39 115.64 108.58 1m9y s THR 48 Ca 0.54 0.02 0.07 0.00 -1.18 0.00 0.00 61.69 61.15 1m9y s THR 48 Cb -0.50 -3.42 0.31 0.00 1.34 0.00 0.00 72.50 70.22 1m9y s THR 48 CO 0.63 -0.44 1.91 -0.65 -0.54 0.00 0.00 174.62 175.53 1m9y h PRO 49 N -0.25 0.71 -0.70 3.99 0.11 -1.85 0.83 132.00 134.84 1m9y h PRO 49 Ca -0.45 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.63 1m9y h PRO 49 Cb 1.26 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1m9y h PRO 49 CO 0.61 0.47 0.45 0.37 -0.21 0.00 0.00 178.00 179.69 1m9y h GLN 50 N 0.73 0.87 0.08 1.05 4.15 -1.92 -0.74 115.11 119.33 1m9y h GLN 50 Ca 0.38 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.74 1m9y h GLN 50 Cb 0.48 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1m9y h GLN 50 CO -0.15 0.57 -0.04 -0.44 -1.93 0.00 0.00 178.83 176.84 1m9y h ASP 51 N 0.89 -0.09 -0.62 -0.69 3.32 -1.55 -0.58 116.42 117.11 1m9y h ASP 51 Ca 0.27 -0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.33 1m9y h ASP 51 Cb -0.04 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.46 1m9y h ASP 51 CO -0.09 0.03 0.19 -0.07 -1.72 0.00 0.00 179.24 177.59 1m9y h LEU 52 N -0.21 0.13 -1.25 1.55 3.38 -0.49 -1.02 115.31 117.39 1m9y h LEU 52 Ca -0.01 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1m9y h LEU 52 Cb 0.18 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1m9y h LEU 52 CO 0.02 0.08 0.09 0.78 0.09 0.00 0.00 178.44 179.49 1m9y h ASN 53 N 0.34 0.55 -0.80 -0.43 2.35 -0.92 -1.50 115.58 115.17 1m9y h ASN 53 Ca 0.32 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 56.01 1m9y h ASN 53 Cb 0.44 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 1m9y h ASN 53 CO -0.36 0.56 0.52 0.74 -1.65 0.00 0.00 177.43 177.24 1m9y h THR 54 N 0.58 1.15 -0.07 2.81 2.02 0.13 0.10 112.91 119.64 1m9y h THR 54 Ca 0.13 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1m9y h THR 54 Cb 0.24 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1m9y h THR 54 CO -0.00 0.19 0.02 0.24 0.37 0.00 0.00 175.52 176.33 1m9y h MET 55 N 1.02 0.11 -0.77 6.66 2.86 -0.85 -2.58 114.93 121.39 1m9y h MET 55 Ca 0.31 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 1m9y h MET 55 Cb -0.03 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 1m9y h MET 55 CO -0.10 0.30 0.44 -0.07 1.06 0.00 0.00 176.91 178.54 1m9y h LEU 56 N -0.10 0.94 -1.75 1.22 3.38 -1.07 -2.73 115.31 115.19 1m9y h LEU 56 Ca 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1m9y h LEU 56 Cb 0.24 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1m9y h LEU 56 CO 0.00 0.74 0.00 0.78 0.09 0.00 0.00 178.44 180.05 1m9y h ASN 57 N 1.07 0.00 1.51 -0.43 2.35 -0.58 -2.89 115.58 116.60 1m9y h ASN 57 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1m9y h ASN 57 Cb -0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1m9y h ASN 57 CO -0.05 0.00 -0.10 0.74 -1.65 0.00 0.00 177.43 176.38 1m9y h THR 58 N 0.00 0.00 -2.81 2.81 2.02 -1.14 -3.45 112.91 110.35 1m9y h THR 58 Ca 0.00 -0.60 -0.54 0.00 0.77 0.00 0.00 66.41 66.03 1m9y h THR 58 Cb 0.16 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1m9y h THR 58 CO 0.00 0.00 0.92 -0.69 0.37 0.00 0.00 175.52 176.12 1m9y s VAL 59 N -3.14 3.56 -0.07 3.16 1.01 -1.09 -4.94 120.40 118.88 1m9y s VAL 59 Ca 0.09 0.91 -0.07 0.00 0.00 0.00 0.00 61.98 62.91 1m9y s VAL 59 Cb 0.11 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1m9y s VAL 59 CO 0.63 -0.02 0.20 -0.83 0.00 0.00 0.00 175.10 175.08 1m9y s GLY 60 N 2.24 2.22 0.00 4.51 0.00 -1.26 -4.98 107.32 110.05 1m9y s GLY 60 Ca 0.67 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1m9y s GLY 60 CO 0.28 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.64 1m9y n GLY 61 N 1.72 -0.01 3.27 0.20 0.00 -1.26 -4.91 105.19 104.20 1m9y n GLY 61 Ca -0.17 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.66 1m9y n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1m9y n HIS 62 N 0.00 -1.77 0.05 1.61 -0.00 -1.26 -4.82 115.22 109.03 1m9y n HIS 62 Ca 0.00 0.43 0.14 0.00 -0.00 0.00 0.00 57.72 58.30 1m9y n HIS 62 Cb 0.00 -3.01 0.62 0.00 -0.00 0.00 0.00 29.99 27.60 1m9y n HIS 62 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1m9y h GLN 63 N -0.92 0.12 -0.04 -0.41 7.50 -1.97 -0.36 115.11 119.03 1m9y h GLN 63 Ca -0.42 -0.01 -0.17 0.00 0.50 0.00 0.00 58.65 58.55 1m9y h GLN 63 Cb 1.29 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.78 1m9y h GLN 63 CO 0.52 0.08 -0.71 0.00 -1.50 0.00 0.00 178.83 177.21 1m9y h ALA 64 N 1.80 0.71 -0.09 3.87 0.00 -2.00 -1.91 119.26 121.64 1m9y h ALA 64 Ca 0.18 -0.61 -0.22 0.00 0.00 0.00 0.00 54.91 54.26 1m9y h ALA 64 Cb 0.57 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1m9y h ALA 64 CO -0.02 0.80 -0.80 0.00 0.00 0.00 0.00 179.25 179.23 1m9y h ALA 65 N 1.10 0.22 -0.50 0.00 0.00 -1.47 -2.05 119.26 116.56 1m9y h ALA 65 Ca -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1m9y h ALA 65 Cb 1.27 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1m9y h ALA 65 CO 0.11 0.62 0.15 0.52 0.00 0.00 0.00 179.25 180.65 1m9y h MET 66 N 0.40 0.75 -0.22 0.00 2.07 -1.17 -0.10 114.93 116.66 1m9y h MET 66 Ca -0.07 -0.13 -0.13 0.00 -2.07 0.00 0.00 59.70 57.30 1m9y h MET 66 Cb 1.45 -0.12 -0.00 0.00 -1.87 0.00 0.00 31.60 31.05 1m9y h MET 66 CO 0.16 0.65 -0.35 1.96 1.07 0.00 0.00 176.91 180.40 1m9y h GLN 67 N 0.73 0.63 -0.78 1.72 1.08 -1.27 0.13 115.11 117.36 1m9y h GLN 67 Ca 0.17 -0.38 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 1m9y h GLN 67 Cb 0.22 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.66 1m9y h GLN 67 CO -0.01 0.99 0.43 1.98 -0.95 0.00 0.00 178.83 181.27 1m9y h MET 68 N 0.32 1.08 -0.37 1.46 4.05 -0.99 -1.23 114.93 119.25 1m9y h MET 68 Ca 0.02 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1m9y h MET 68 Cb 0.94 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 1m9y h MET 68 CO 0.08 0.80 0.19 1.25 0.23 0.00 0.00 176.91 179.46 1m9y h LEU 69 N 1.07 0.47 -0.86 3.39 5.85 -0.77 -1.76 115.31 122.70 1m9y h LEU 69 Ca 0.27 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1m9y h LEU 69 Cb 0.03 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1m9y h LEU 69 CO -0.04 0.44 0.40 0.50 -0.34 0.00 0.00 178.44 179.40 1m9y h LYS 70 N 0.47 1.22 -0.40 1.25 3.64 -0.66 -1.73 116.57 120.35 1m9y h LYS 70 Ca 0.13 -0.18 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1m9y h LYS 70 Cb 0.08 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 1m9y h LYS 70 CO -0.02 0.94 0.09 1.49 -2.27 0.00 0.00 179.45 179.68 1m9y h GLU 71 N 1.21 0.21 -0.54 1.90 4.57 -0.98 -0.41 114.58 120.53 1m9y h GLU 71 Ca 0.29 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.51 1m9y h GLU 71 Cb 0.13 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.62 1m9y h GLU 71 CO -0.03 0.14 0.26 1.15 -1.18 0.00 0.00 179.01 179.35 1m9y h THR 72 N 0.22 0.92 -0.74 0.32 2.02 -1.07 -0.68 112.91 113.90 1m9y h THR 72 Ca 0.19 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.25 1m9y h THR 72 Cb 0.23 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 1m9y h THR 72 CO -0.25 0.09 0.44 0.40 0.37 0.00 0.00 175.52 176.58 1m9y h ILE 73 N 0.50 1.02 -0.25 3.11 2.04 -1.12 -2.15 117.51 120.67 1m9y h ILE 73 Ca 0.25 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 65.71 1m9y h ILE 73 Cb 0.18 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1m9y h ILE 73 CO -0.19 0.15 -0.34 0.78 0.00 0.00 0.00 178.15 178.55 1m9y h ASN 74 N 0.82 0.55 -0.90 1.72 -0.26 -0.60 0.89 115.58 117.81 1m9y h ASN 74 Ca 0.32 -0.22 -0.01 0.00 -0.56 0.00 0.00 56.30 55.83 1m9y h ASN 74 Cb 0.14 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.20 1m9y h ASN 74 CO -0.16 0.86 0.54 -0.33 -1.06 0.00 0.00 177.43 177.27 1m9y h GLU 75 N 0.45 1.23 -0.09 0.81 5.08 -0.79 -1.05 114.58 120.22 1m9y h GLU 75 Ca 0.05 -0.12 -0.23 0.00 -1.00 0.00 0.00 59.36 58.06 1m9y h GLU 75 Cb 0.81 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1m9y h GLU 75 CO 0.07 0.87 -0.87 0.93 -1.00 0.00 0.00 179.01 179.01 1m9y h GLU 76 N 1.25 0.71 -0.67 2.33 4.39 -0.68 -1.74 114.58 120.16 1m9y h GLU 76 Ca 0.32 -0.64 0.03 0.00 0.34 0.00 0.00 59.36 59.42 1m9y h GLU 76 Cb -0.04 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1m9y h GLU 76 CO -0.06 1.24 0.41 0.00 -1.16 0.00 0.00 179.01 179.45 1m9y h ALA 77 N 0.56 0.88 -0.28 3.43 0.00 -0.65 -0.39 119.26 122.81 1m9y h ALA 77 Ca -0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1m9y h ALA 77 Cb 1.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1m9y h ALA 77 CO 0.17 0.16 -0.39 0.00 0.00 0.00 0.00 179.25 179.19 1m9y h ALA 78 N 1.30 0.78 -0.66 0.00 0.00 -1.11 -2.16 119.26 117.41 1m9y h ALA 78 Ca 0.28 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1m9y h ALA 78 Cb 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1m9y h ALA 78 CO -0.12 0.65 0.24 0.93 0.00 0.00 0.00 179.25 180.96 1m9y h GLU 79 N 0.55 1.00 -0.46 0.00 4.39 -1.09 0.02 114.58 119.00 1m9y h GLU 79 Ca 0.05 -0.20 0.07 0.00 0.34 0.00 0.00 59.36 59.63 1m9y h GLU 79 Cb 0.92 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.35 1m9y h GLU 79 CO 0.08 0.85 0.10 2.35 -1.16 0.00 0.00 179.01 181.23 1m9y h TRP 80 N 0.94 0.16 -0.30 4.33 2.91 -0.94 -1.35 115.95 121.70 1m9y h TRP 80 Ca 0.22 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 60.16 1m9y h TRP 80 Cb 0.24 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.87 1m9y h TRP 80 CO 0.02 0.01 -0.25 -0.44 -1.03 0.00 0.00 178.44 176.75 1m9y h ASP 81 N 0.24 0.60 -0.75 2.65 5.19 -0.77 -1.36 116.42 122.23 1m9y h ASP 81 Ca 0.22 -0.21 -0.04 0.00 -0.62 0.00 0.00 57.03 56.38 1m9y h ASP 81 Cb 0.28 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.59 1m9y h ASP 81 CO -0.29 0.83 0.31 -0.09 -3.12 0.00 0.00 179.24 176.89 1m9y h ARG 82 N 0.52 1.12 -0.01 3.56 2.43 -0.57 -2.53 114.38 118.90 1m9y h ARG 82 Ca 0.07 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1m9y h ARG 82 Cb 0.70 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1m9y h ARG 82 CO 0.05 0.91 -0.07 1.28 -1.51 0.00 0.00 179.97 180.63 1m9y n LEU 83 N -4.29 1.47 -3.63 3.80 4.77 -0.55 -4.56 117.00 114.01 1m9y n LEU 83 Ca 0.07 -0.47 -0.27 0.00 -0.03 0.00 0.00 56.01 55.30 1m9y n LEU 83 Cb 0.18 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 1m9y n LEU 83 CO 0.40 0.25 -0.19 -1.00 -1.33 0.00 0.00 177.39 175.53 1m9y s HIS 84 N -2.13 2.25 0.34 -1.77 3.76 -0.56 -5.08 115.29 112.10 1m9y s HIS 84 Ca 0.34 -2.80 -0.27 0.00 -0.15 0.00 0.00 55.06 52.17 1m9y s HIS 84 Cb 0.20 -1.75 -0.13 0.00 1.11 0.00 0.00 32.58 32.02 1m9y s HIS 84 CO 0.38 -0.70 1.16 -0.35 -0.85 0.00 0.00 174.74 174.38 1m9y n PRO 85 N 2.43 1.75 -2.02 8.40 -0.04 -1.26 -4.80 135.00 139.47 1m9y n PRO 85 Ca 0.25 0.62 -0.42 0.00 -0.04 0.00 0.00 63.50 63.91 1m9y n PRO 85 Cb 0.42 -2.12 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 1m9y n PRO 85 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1m9y s VAL 86 N -1.11 2.84 0.02 0.52 1.01 -1.26 -5.03 120.40 117.39 1m9y s VAL 86 Ca 0.58 0.62 0.01 0.00 0.00 0.00 0.00 61.98 63.18 1m9y s VAL 86 Cb -0.61 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1m9y s VAL 86 CO 0.61 0.06 0.07 0.00 0.00 0.00 0.00 175.10 175.84 1m9y s ALA 87 N 0.96 3.56 -0.06 5.51 0.00 -1.26 -5.08 121.76 125.38 1m9y s ALA 87 Ca 0.67 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 1m9y s ALA 87 Cb -0.41 -1.52 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 1m9y s ALA 87 CO 0.33 0.71 0.94 0.00 0.00 0.00 0.00 175.76 177.73 1m9y s ALA 88 N -1.24 3.29 -0.32 0.00 0.00 -1.26 -5.01 121.76 117.22 1m9y s ALA 88 Ca 0.25 0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.66 1m9y s ALA 88 Cb -0.12 -3.32 0.19 0.00 0.00 0.00 0.00 23.12 19.88 1m9y s ALA 88 CO 0.16 -0.38 0.60 0.00 0.00 0.00 0.00 175.76 176.15 1m9y s ALA 89 N 1.42 -2.39 0.17 0.00 0.00 -1.26 -5.11 121.76 114.58 1m9y s ALA 89 Ca 0.48 0.81 -0.33 0.00 0.00 0.00 0.00 51.96 52.92 1m9y s ALA 89 Cb -0.19 -2.60 -0.16 0.00 0.00 0.00 0.00 23.12 20.17 1m9y s ALA 89 CO 0.22 -1.94 1.18 -2.30 0.00 0.00 0.00 175.76 172.92 1m9y n PRO 90 N 5.13 1.21 -2.39 0.00 -0.01 -1.26 -4.85 135.00 132.82 1m9y n PRO 90 Ca 0.07 0.43 -0.43 0.00 -0.01 0.00 0.00 63.50 63.56 1m9y n PRO 90 Cb 0.55 -1.94 -0.02 0.00 -0.01 0.00 0.00 33.50 32.07 1m9y n PRO 90 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 175.50 173.99 1m9y s ILE 91 N -0.15 4.17 0.38 4.25 1.10 -1.26 -5.04 121.20 124.65 1m9y s ILE 91 Ca 0.74 1.46 -0.17 0.00 -0.51 0.00 0.00 60.65 62.16 1m9y s ILE 91 Cb -0.85 -3.94 -0.10 0.00 0.15 0.00 0.00 42.46 37.73 1m9y s ILE 91 CO 0.52 -0.07 0.83 0.00 -2.11 0.00 0.00 174.94 174.11 1m9y s ALA 92 N 2.95 3.20 0.25 1.50 0.00 -1.26 -4.99 121.76 123.41 1m9y s ALA 92 Ca 0.57 0.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.40 1m9y s ALA 92 Cb -0.24 -2.93 -0.12 0.00 0.00 0.00 0.00 23.12 19.83 1m9y s ALA 92 CO 0.19 0.21 1.65 -2.30 0.00 0.00 0.00 175.76 175.51 1m9y n PRO 93 N -0.58 2.71 -0.98 0.00 -0.02 -1.26 -1.17 135.00 133.69 1m9y n PRO 93 Ca 0.05 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1m9y n PRO 93 Cb 0.54 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1m9y n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1m9y n GLY 94 N 3.01 0.79 1.89 -1.23 0.00 -1.26 -5.01 105.19 103.38 1m9y n GLY 94 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1m9y n GLY 94 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1m9y n GLN 95 N -2.41 1.20 -3.87 1.61 6.02 -0.32 -5.13 117.38 114.47 1m9y n GLN 95 Ca 0.00 -1.79 -0.11 0.00 -0.01 0.00 0.00 57.00 55.08 1m9y n GLN 95 Cb 0.00 0.31 -0.11 0.00 1.02 0.00 0.00 30.24 31.46 1m9y n GLN 95 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1m9y s MET 96 N -3.05 0.29 0.61 -1.09 1.75 -1.26 -4.85 119.30 111.70 1m9y s MET 96 Ca 0.09 -0.18 -0.18 0.00 -1.25 0.00 0.00 55.69 54.18 1m9y s MET 96 Cb -0.01 0.12 -0.07 0.00 2.84 0.00 0.00 34.83 37.72 1m9y s MET 96 CO 0.06 -0.06 0.59 2.89 -0.65 0.00 0.00 175.02 177.85 1m9y n ARG 97 N 2.19 0.51 -2.14 4.11 1.85 -1.26 -4.95 116.66 116.97 1m9y n ARG 97 Ca -0.18 0.21 -0.42 0.00 -1.00 0.00 0.00 57.85 56.46 1m9y n ARG 97 Cb 0.57 -1.80 -0.03 0.00 -1.05 0.00 0.00 32.46 30.15 1m9y n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1m9y s GLU 98 N -2.35 4.33 0.35 2.89 0.41 -1.26 -4.99 118.70 118.09 1m9y s GLU 98 Ca 0.69 2.13 -0.27 0.00 -0.41 0.00 0.00 54.97 57.12 1m9y s GLU 98 Cb -0.42 -3.18 -0.09 0.00 -1.78 0.00 0.00 34.13 28.66 1m9y s GLU 98 CO 0.54 -0.36 1.12 -1.25 -0.49 0.00 0.00 175.26 174.82 1m9y s PRO 99 N 0.19 4.32 0.41 0.39 0.04 -1.26 -5.05 135.00 134.05 1m9y s PRO 99 Ca 0.60 1.77 0.01 0.00 0.04 0.00 0.00 61.00 63.42 1m9y s PRO 99 Cb -0.38 -2.86 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 1m9y s PRO 99 CO 0.37 -0.07 0.62 1.03 0.04 0.00 0.00 177.00 178.99 1m9y s ARG 100 N -2.00 3.15 0.30 4.56 1.81 -1.26 -4.92 118.95 120.59 1m9y s ARG 100 Ca 0.52 -0.53 -0.01 0.00 -1.72 0.00 0.00 55.73 54.00 1m9y s ARG 100 Cb -0.30 -2.61 0.67 0.00 -0.45 0.00 0.00 34.95 32.26 1m9y s ARG 100 CO 0.38 -0.14 1.58 0.78 -0.68 0.00 0.00 175.30 177.21 1m9y h GLY 101 N 0.53 1.12 2.00 -3.53 0.00 -1.91 -0.31 103.07 100.97 1m9y h GLY 101 Ca -0.47 0.17 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1m9y h GLY 101 CO 0.57 -0.46 -0.29 1.48 0.00 0.00 0.00 176.54 177.84 1m9y h SER 102 N 0.02 0.00 -0.17 0.19 4.64 -1.94 -2.07 113.55 114.22 1m9y h SER 102 Ca 0.56 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.80 1m9y h SER 102 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1m9y h SER 102 CO -0.90 0.29 -0.18 0.44 -0.87 0.00 0.00 176.83 175.61 1m9y h ASP 103 N 0.00 0.45 -0.66 4.97 3.32 -1.41 -0.30 116.42 122.79 1m9y h ASP 103 Ca -0.00 -0.48 0.04 0.00 0.02 0.00 0.00 57.03 56.60 1m9y h ASP 103 Cb 0.91 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.29 1m9y h ASP 103 CO 0.04 0.84 0.43 0.40 -1.72 0.00 0.00 179.24 179.24 1m9y h ILE 104 N 0.07 1.09 0.00 0.35 2.04 -0.92 -1.19 117.51 118.94 1m9y h ILE 104 Ca 0.03 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1m9y h ILE 104 Cb 0.72 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1m9y h ILE 104 CO 0.04 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.34 1m9y n ALA 105 N -2.45 2.18 -1.00 1.87 0.00 -0.82 -4.64 120.51 115.66 1m9y n ALA 105 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1m9y n ALA 105 Cb 0.14 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1m9y n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9y n GLY 106 N 0.99 0.47 0.23 0.00 0.00 -0.45 -4.89 105.19 101.54 1m9y n GLY 106 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1m9y n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m9y h THR 107 N 0.00 1.28 -0.02 2.61 2.02 -1.28 -3.35 112.91 114.17 1m9y h THR 107 Ca 0.00 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1m9y h THR 107 Cb 0.07 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1m9y h THR 107 CO 0.00 0.40 0.00 0.35 0.37 0.00 0.00 175.52 176.64 1m9y n THR 108 N -4.33 1.25 -4.51 3.16 -2.24 -1.08 -5.01 114.28 101.53 1m9y n THR 108 Ca -0.01 -1.34 -0.31 0.00 -2.27 0.00 0.00 64.05 60.12 1m9y n THR 108 Cb 0.37 0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 68.77 1m9y n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1m9y s SER 109 N -1.50 4.03 0.55 3.42 1.04 -1.26 -4.83 113.70 115.15 1m9y s SER 109 Ca 0.10 -0.40 -0.07 0.00 0.48 0.00 0.00 55.95 56.06 1m9y s SER 109 Cb 0.08 -0.70 -0.02 0.00 0.10 0.00 0.00 66.02 65.47 1m9y s SER 109 CO 0.02 0.24 0.89 0.42 0.98 0.00 0.00 173.24 175.78 1m9y s THR 110 N -1.01 4.50 0.28 2.02 -4.23 -1.26 -4.83 115.64 111.11 1m9y s THR 110 Ca 0.17 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 1m9y s THR 110 Cb -0.11 -3.75 0.28 0.00 1.34 0.00 0.00 72.50 70.26 1m9y s THR 110 CO 0.08 -0.83 1.83 0.25 -0.54 0.00 0.00 174.62 175.41 1m9y h LEU 111 N -0.05 0.91 -0.68 4.79 5.85 -1.99 -2.53 115.31 121.60 1m9y h LEU 111 Ca -0.46 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 1m9y h LEU 111 Cb 1.22 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1m9y h LEU 111 CO 0.62 0.48 0.20 1.56 -0.34 0.00 0.00 178.44 180.96 1m9y h GLN 112 N 0.98 1.07 -0.87 1.25 1.08 -1.99 -0.27 115.11 116.35 1m9y h GLN 112 Ca 0.50 -0.24 -0.03 0.00 -1.45 0.00 0.00 58.65 57.44 1m9y h GLN 112 Cb 0.50 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.74 1m9y h GLN 112 CO -0.27 0.93 0.44 0.93 -0.95 0.00 0.00 178.83 179.91 1m9y h GLU 113 N 1.00 1.24 0.08 1.46 5.08 -1.92 0.30 114.58 121.83 1m9y h GLU 113 Ca 0.22 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1m9y h GLU 113 Cb 0.31 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1m9y h GLU 113 CO -0.01 0.94 -0.04 1.96 -1.00 0.00 0.00 179.01 180.86 1m9y h GLN 114 N 1.24 -0.10 -0.57 2.33 4.20 -0.86 0.20 115.11 121.55 1m9y h GLN 114 Ca 0.30 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.07 1m9y h GLN 114 Cb 0.08 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1m9y h GLN 114 CO -0.04 0.02 0.30 0.82 -0.67 0.00 0.00 178.83 179.25 1m9y h ILE 115 N -0.20 0.96 -0.56 2.54 2.04 -0.91 -0.94 117.51 120.44 1m9y h ILE 115 Ca -0.01 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1m9y h ILE 115 Cb 0.17 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 1m9y h ILE 115 CO 0.02 0.10 0.28 1.23 0.00 0.00 0.00 178.15 179.78 1m9y h GLY 116 N 0.57 0.79 0.86 5.37 0.00 0.10 0.44 103.07 111.21 1m9y h GLY 116 Ca 0.25 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 1m9y h GLY 116 CO -0.17 0.11 -0.04 1.49 0.00 0.00 0.00 176.54 177.93 1m9y h TRP 117 N 0.54 0.56 0.00 5.60 6.55 -0.12 -2.72 115.95 126.36 1m9y h TRP 117 Ca 0.25 -0.11 -0.02 0.00 0.95 0.00 0.00 58.89 59.95 1m9y h TRP 117 Cb 0.17 -0.14 -0.00 0.00 -0.86 0.00 0.00 29.16 28.33 1m9y h TRP 117 CO -0.10 0.70 -0.11 0.52 -1.05 0.00 0.00 178.44 178.40 1m9y h MET 118 N 0.27 0.00 -0.24 0.49 2.86 -0.70 0.13 114.93 117.73 1m9y h MET 118 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1m9y h MET 118 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1m9y h MET 118 CO 0.02 0.11 0.00 0.25 1.06 0.00 0.00 176.91 178.35 1m9y n THR 119 N -4.11 0.54 -1.17 2.22 -2.24 0.10 -4.72 114.28 104.91 1m9y n THR 119 Ca -0.02 -0.77 -0.30 0.00 -2.27 0.00 0.00 64.05 60.68 1m9y n THR 119 Cb 0.19 0.86 0.13 0.00 -2.10 0.00 0.00 70.33 69.41 1m9y n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1m9y s HIS 120 N -1.07 2.30 -0.28 4.78 5.04 -1.03 -4.86 115.29 120.17 1m9y s HIS 120 Ca 0.23 1.34 0.02 0.00 -1.54 0.00 0.00 55.06 55.10 1m9y s HIS 120 Cb 0.13 -3.15 0.08 0.00 0.04 0.00 0.00 32.58 29.68 1m9y s HIS 120 CO 0.18 -2.35 -0.01 -0.80 -2.34 0.00 0.00 174.74 169.42 1m9y s ASN 121 N -3.35 4.25 0.48 9.88 -0.87 -1.26 0.13 114.94 124.21 1m9y s ASN 121 Ca 0.63 -1.57 -0.12 0.00 -1.57 0.00 0.00 52.86 50.24 1m9y s ASN 121 Cb -0.18 -1.33 -0.06 0.00 -0.02 0.00 0.00 41.25 39.65 1m9y s ASN 121 CO 0.57 -0.29 0.88 -2.16 -2.57 0.00 0.00 177.10 173.53 1m9y s PRO 122 N 1.23 3.78 0.66 -0.60 0.04 -1.26 -5.12 135.00 133.72 1m9y s PRO 122 Ca 0.01 0.64 -0.14 0.00 0.04 0.00 0.00 61.00 61.54 1m9y s PRO 122 Cb -0.19 -2.26 -0.00 0.00 0.04 0.00 0.00 34.50 32.09 1m9y s PRO 122 CO -0.09 -0.21 1.09 -1.25 0.04 0.00 0.00 177.00 176.57 1m9y s PRO 123 N -4.22 2.89 -0.40 0.56 0.04 0.12 -5.02 135.00 128.97 1m9y s PRO 123 Ca 0.54 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 1m9y s PRO 123 Cb -0.10 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.56 1m9y s PRO 123 CO 0.36 -1.16 0.19 0.42 0.04 0.00 0.00 177.00 176.85 1m9y s ILE 124 N -2.51 3.48 -1.35 0.56 1.09 0.43 -4.96 121.20 117.94 1m9y s ILE 124 Ca 0.64 -1.80 -0.16 0.00 -1.10 0.00 0.00 60.65 58.24 1m9y s ILE 124 Cb -0.18 -3.27 0.02 0.00 -1.06 0.00 0.00 42.46 37.97 1m9y s ILE 124 CO 0.43 -0.57 2.14 -0.81 -0.10 0.00 0.00 174.94 176.03 1m9y n PRO 125 N 4.68 2.70 0.21 2.79 -0.04 -1.26 -3.28 135.00 140.80 1m9y n PRO 125 Ca -0.06 -2.57 0.05 0.00 -0.04 0.00 0.00 63.50 60.88 1m9y n PRO 125 Cb 0.42 -3.27 0.49 0.00 -0.04 0.00 0.00 33.50 31.10 1m9y n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1m9y h VAL 126 N 4.26 1.13 -0.45 0.52 -1.51 -1.90 -1.53 116.25 116.77 1m9y h VAL 126 Ca 0.53 -0.62 -0.04 0.00 -1.23 0.00 0.00 66.70 65.35 1m9y h VAL 126 Cb 0.67 1.29 -0.02 0.00 -2.13 0.00 0.00 31.29 31.11 1m9y h VAL 126 CO 1.84 0.18 0.14 1.23 -1.23 0.00 0.00 177.57 179.73 1m9y h GLY 127 N 0.56 0.75 1.06 5.19 0.00 -1.86 -1.28 103.07 107.49 1m9y h GLY 127 Ca 0.01 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1m9y h GLY 127 CO 0.02 0.42 0.08 0.83 0.00 0.00 0.00 176.54 177.89 1m9y h GLU 128 N 0.59 1.07 -0.42 4.80 4.39 -1.56 0.69 114.58 124.14 1m9y h GLU 128 Ca 0.14 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1m9y h GLU 128 Cb 0.27 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1m9y h GLU 128 CO -0.00 1.00 0.24 0.82 -1.16 0.00 0.00 179.01 179.91 1m9y h ILE 129 N 0.98 1.14 -0.11 3.13 2.04 -1.26 -1.31 117.51 122.13 1m9y h ILE 129 Ca 0.19 -0.34 -0.19 0.00 1.00 0.00 0.00 64.86 65.52 1m9y h ILE 129 Cb 0.47 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1m9y h ILE 129 CO 0.02 0.14 -0.73 0.22 0.00 0.00 0.00 178.15 177.81 1m9y h TYR 130 N 0.55 0.69 -0.54 1.37 3.20 -1.13 -2.05 116.97 119.04 1m9y h TYR 130 Ca 0.15 -0.30 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 1m9y h TYR 130 Cb 0.02 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 1m9y h TYR 130 CO -0.03 1.07 0.28 -0.22 -1.64 0.00 0.00 178.16 177.62 1m9y h LYS 131 N 0.35 0.77 -0.76 1.82 3.64 -0.76 -0.67 116.57 120.96 1m9y h LYS 131 Ca -0.03 -0.10 0.09 0.00 -1.27 0.00 0.00 60.65 59.34 1m9y h LYS 131 Cb 1.31 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 1m9y h LYS 131 CO 0.13 0.61 0.42 0.00 -2.27 0.00 0.00 179.45 178.34 1m9y h ARG 132 N 0.73 0.69 -0.24 1.90 3.08 -0.54 -1.58 114.38 118.43 1m9y h ARG 132 Ca 0.19 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1m9y h ARG 132 Cb 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1m9y h ARG 132 CO -0.03 0.46 0.15 -1.49 -1.07 0.00 0.00 179.97 177.99 1m9y h TRP 133 N 0.72 0.32 -0.85 3.04 6.55 -0.88 -2.29 115.95 122.55 1m9y h TRP 133 Ca 0.37 0.00 0.02 0.00 0.95 0.00 0.00 58.89 60.23 1m9y h TRP 133 Cb 0.34 -0.11 -0.05 0.00 -0.86 0.00 0.00 29.16 28.49 1m9y h TRP 133 CO -0.08 0.24 0.56 0.82 -1.05 0.00 0.00 178.44 178.93 1m9y h ILE 134 N 0.31 1.19 -0.96 1.49 2.04 -0.79 -0.88 117.51 119.90 1m9y h ILE 134 Ca 0.09 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1m9y h ILE 134 Cb 0.01 -0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.01 1m9y h ILE 134 CO -0.02 0.21 0.59 0.40 0.00 0.00 0.00 178.15 179.33 1m9y h ILE 135 N 1.13 1.26 -0.55 -0.67 2.04 -1.14 0.33 117.51 119.90 1m9y h ILE 135 Ca 0.32 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1m9y h ILE 135 Cb -0.08 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 35.86 1m9y h ILE 135 CO -0.09 0.27 0.31 -0.07 0.00 0.00 0.00 178.15 178.57 1m9y h LEU 136 N 1.32 0.69 -0.38 1.44 3.38 -1.08 -1.26 115.31 119.42 1m9y h LEU 136 Ca 0.35 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1m9y h LEU 136 Cb -0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1m9y h LEU 136 CO -0.07 0.58 0.08 1.23 0.09 0.00 0.00 178.44 180.35 1m9y h GLY 137 N 0.74 0.66 0.70 0.83 0.00 0.30 -2.76 103.07 103.54 1m9y h GLY 137 Ca 0.19 -0.42 0.06 0.00 0.00 0.00 0.00 47.33 47.17 1m9y h GLY 137 CO -0.03 0.39 0.46 1.41 0.00 0.00 0.00 176.54 178.77 1m9y h LEU 138 N 0.46 0.71 -1.20 3.11 3.38 -0.14 -1.20 115.31 120.43 1m9y h LEU 138 Ca 0.12 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1m9y h LEU 138 Cb 0.32 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1m9y h LEU 138 CO 0.00 0.45 0.56 0.78 0.09 0.00 0.00 178.44 180.33 1m9y h ASN 139 N 0.84 0.86 -0.04 -0.43 2.35 -0.96 0.19 115.58 118.39 1m9y h ASN 139 Ca 0.34 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 1m9y h ASN 139 Cb 0.18 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1m9y h ASN 139 CO -0.18 0.57 -0.03 0.50 -1.65 0.00 0.00 177.43 176.64 1m9y h LYS 140 N 0.99 0.09 0.00 0.81 3.64 -1.16 -3.25 116.57 117.68 1m9y h LYS 140 Ca 0.36 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.54 1m9y h LYS 140 Cb 0.16 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1m9y h LYS 140 CO -0.12 0.54 -0.72 -0.84 -2.27 0.00 0.00 179.45 176.03 1m9y h ILE 141 N -0.37 1.42 -0.01 2.00 3.07 -0.76 -2.49 117.51 120.38 1m9y h ILE 141 Ca 0.01 -2.56 0.00 0.00 1.55 0.00 0.00 64.86 63.86 1m9y h ILE 141 Cb 0.53 2.42 -0.00 0.00 -0.27 0.00 0.00 36.82 39.49 1m9y h ILE 141 CO 0.01 0.71 0.01 -0.37 -1.05 0.00 0.00 178.15 177.45 1m9y h VAL 142 N 0.00 0.47 0.00 0.16 -1.51 -0.72 0.39 116.25 115.04 1m9y h VAL 142 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1m9y h VAL 142 Cb 1.36 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 1m9y h VAL 142 CO 0.09 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.97 1m9y n ARG 143 N -3.77 0.19 0.15 5.19 1.74 -0.93 -0.03 116.66 119.20 1m9y n ARG 143 Ca -0.03 0.14 0.12 0.00 -0.77 0.00 0.00 57.85 57.31 1m9y n ARG 143 Cb 0.09 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.22 1m9y n ARG 143 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1m9y h MET 144 N 0.00 0.00 -5.62 5.56 2.86 -1.07 -3.48 114.93 113.19 1m9y h MET 144 Ca 0.00 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.02 1m9y h MET 144 Cb 0.06 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.62 1m9y h MET 144 CO 0.00 0.00 -0.48 0.71 1.06 0.00 0.00 176.91 178.20 1m9y s TYR 145 N -3.21 2.13 0.00 -0.22 1.51 0.96 -5.10 117.35 113.42 1m9y s TYR 145 Ca 0.06 -0.78 0.00 0.00 -1.01 0.00 0.00 57.07 55.34 1m9y s TYR 145 Cb 0.08 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1m9y s TYR 145 CO 0.68 0.11 0.44 0.45 -1.11 0.00 0.00 175.55 176.12