#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbx h LEU 7 N 0.00 0.90 -7.82 3.22 3.38 -1.96 -3.40 115.31 109.63 2gbx h LEU 7 Ca 0.00 -0.77 -0.37 0.00 0.09 0.00 0.00 57.88 56.83 2gbx h LEU 7 Cb 0.00 -0.28 -0.31 0.00 0.09 0.00 0.00 40.66 40.16 2gbx h LEU 7 CO 0.00 1.56 -0.76 -0.69 0.09 0.00 0.00 178.44 178.64 2gbx s VAL 8 N -3.19 0.46 -0.39 1.22 1.01 -1.26 -0.58 120.40 117.67 2gbx s VAL 8 Ca -0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 2gbx s VAL 8 Cb 0.06 -0.45 0.08 0.00 0.00 0.00 0.00 36.38 36.08 2gbx s VAL 8 CO 0.92 0.17 0.17 -0.62 0.00 0.00 0.00 175.10 175.75 2gbx s ASP 9 N 0.43 5.30 0.30 3.32 -1.08 0.19 -4.97 116.67 120.16 2gbx s ASP 9 Ca -0.05 -1.67 0.15 0.00 -0.52 0.00 0.00 52.55 50.46 2gbx s ASP 9 Cb -0.09 -1.86 0.38 0.00 -1.46 0.00 0.00 42.92 39.90 2gbx s ASP 9 CO -0.00 -0.47 1.59 0.71 0.52 0.00 0.00 175.17 177.52 2gbx h THR 10 N 6.29 1.10 0.24 1.71 1.35 -1.95 -0.05 112.91 121.59 2gbx h THR 10 Ca -0.18 -2.02 -0.01 0.00 -0.55 0.00 0.00 66.41 63.64 2gbx h THR 10 Cb 1.06 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 2gbx h THR 10 CO 0.68 0.52 -0.11 0.58 -0.25 0.00 0.00 175.52 176.93 2gbx h VAL 11 N 0.00 0.70 0.00 6.82 2.07 -1.93 -3.29 116.25 120.63 2gbx h VAL 11 Ca -0.01 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2gbx h VAL 11 Cb 1.14 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2gbx h VAL 11 CO 0.07 0.16 -0.21 0.59 0.02 0.00 0.00 177.57 178.20 2gbx n ASN 12 N -5.02 0.25 -2.79 0.57 3.02 -1.25 -4.97 115.26 105.07 2gbx n ASN 12 Ca -0.08 0.21 -0.11 0.00 -0.03 0.00 0.00 54.58 54.56 2gbx n ASN 12 Cb 0.26 -0.21 0.06 0.00 -0.61 0.00 0.00 39.78 39.28 2gbx n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gbx n ALA 13 N -1.52 -1.84 -3.06 5.41 0.00 -0.14 -4.80 120.51 114.56 2gbx n ALA 13 Ca 0.06 0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 2gbx n ALA 13 Cb 0.35 -3.77 -0.10 0.00 0.00 0.00 0.00 19.45 15.93 2gbx n ALA 13 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2gbx s SER 14 N -3.47 0.04 0.09 0.00 1.04 -0.59 -1.73 113.70 109.09 2gbx s SER 14 Ca 0.25 -0.25 0.07 0.00 0.48 0.00 0.00 55.95 56.50 2gbx s SER 14 Cb -0.03 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 2gbx s SER 14 CO 0.54 -0.40 -0.17 -1.10 0.98 0.00 0.00 173.24 173.09 2gbx s GLN 15 N -1.57 0.99 0.45 4.02 1.11 -0.58 0.53 119.66 124.61 2gbx s GLN 15 Ca -0.13 -1.09 -0.21 0.00 0.01 0.00 0.00 55.36 53.93 2gbx s GLN 15 Cb -0.07 -1.10 -0.09 0.00 -1.01 0.00 0.00 33.01 30.74 2gbx s GLN 15 CO 0.01 0.25 1.01 0.45 0.01 0.00 0.00 175.29 177.02 2gbx s SER 16 N -1.93 6.62 0.00 5.90 0.15 0.26 0.90 113.70 125.61 2gbx s SER 16 Ca 0.04 1.88 0.23 0.00 0.70 0.00 0.00 55.95 58.80 2gbx s SER 16 Cb -0.09 -2.56 1.04 0.00 -1.71 0.00 0.00 66.02 62.69 2gbx s SER 16 CO 0.03 -0.58 1.73 0.54 1.20 0.00 0.00 173.24 176.16 2gbx n ARG 17 N -0.63 0.13 0.27 5.44 1.74 -1.15 -3.12 116.66 119.33 2gbx n ARG 17 Ca 0.08 0.10 0.13 0.00 -0.77 0.00 0.00 57.85 57.39 2gbx n ARG 17 Cb 0.52 -1.50 0.74 0.00 -1.02 0.00 0.00 32.46 31.21 2gbx n ARG 17 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2gbx h GLN 18 N 0.00 0.00 -0.53 5.56 1.08 -1.83 -3.13 115.11 116.26 2gbx h GLN 18 Ca 0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2gbx h GLN 18 Cb 0.32 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 2gbx h GLN 18 CO 0.00 0.11 0.12 -0.39 -0.95 0.00 0.00 178.83 177.72 2gbx h VAL 19 N 0.00 1.22 0.00 -0.54 -1.51 -1.89 0.21 116.25 113.75 2gbx h VAL 19 Ca -0.00 -0.82 -0.15 0.00 -1.23 0.00 0.00 66.70 64.50 2gbx h VAL 19 Cb 0.33 0.69 -0.02 0.00 -2.13 0.00 0.00 31.29 30.16 2gbx h VAL 19 CO 0.01 0.30 -0.70 -0.26 -1.23 0.00 0.00 177.57 175.70 2gbx h PHE 20 N 0.79 0.00 0.00 5.19 0.04 -1.80 -3.42 116.94 117.74 2gbx h PHE 20 Ca 0.17 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.72 2gbx h PHE 20 Cb 0.30 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 2gbx h PHE 20 CO 0.02 0.70 -1.64 1.87 -0.60 0.00 0.00 178.31 178.65 2gbx n TRP 21 N -3.50 0.00 -1.66 -0.55 -0.00 -1.00 -4.60 117.44 106.13 2gbx n TRP 21 Ca -0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.50 57.06 2gbx n TRP 21 Cb 0.74 -0.60 -0.01 0.00 -0.00 0.00 0.00 31.31 31.43 2gbx n TRP 21 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2gbx n ASP 22 N -4.01 2.34 0.08 5.87 2.03 0.71 -4.83 116.55 118.75 2gbx n ASP 22 Ca -0.30 1.18 -0.18 0.00 0.52 0.00 0.00 54.79 56.02 2gbx n ASP 22 Cb 0.64 -1.41 -0.10 0.00 -0.72 0.00 0.00 41.12 39.53 2gbx n ASP 22 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2gbx h GLU 23 N 2.80 0.48 -0.28 -0.67 5.08 -1.96 -2.91 114.58 117.11 2gbx h GLU 23 Ca -0.44 -0.61 -0.10 0.00 -1.00 0.00 0.00 59.36 57.21 2gbx h GLU 23 Cb 1.30 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2gbx h GLU 23 CO 0.65 1.24 -0.24 -0.44 -1.00 0.00 0.00 179.01 179.22 2gbx h ASP 24 N 0.22 0.53 -0.60 1.42 3.32 -1.97 0.60 116.42 119.96 2gbx h ASP 24 Ca -0.13 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.64 2gbx h ASP 24 Cb 1.79 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 41.18 2gbx h ASP 24 CO 0.20 0.77 0.01 0.58 -1.72 0.00 0.00 179.24 179.08 2gbx h VAL 25 N 0.47 1.27 -0.43 -1.35 2.07 -1.91 -1.78 116.25 114.59 2gbx h VAL 25 Ca 0.07 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 2gbx h VAL 25 Cb 0.68 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2gbx h VAL 25 CO 0.05 0.41 0.01 0.22 0.02 0.00 0.00 177.57 178.28 2gbx h TYR 26 N 0.95 0.72 -0.81 1.57 3.20 -1.26 0.94 116.97 122.28 2gbx h TYR 26 Ca 0.17 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2gbx h TYR 26 Cb 0.55 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 2gbx h TYR 26 CO 0.04 0.68 0.42 0.00 -1.64 0.00 0.00 178.16 177.66 2gbx h ALA 27 N 1.36 1.21 -0.28 1.82 0.00 -0.59 -1.08 119.26 121.71 2gbx h ALA 27 Ca 0.13 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2gbx h ALA 27 Cb 0.39 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2gbx h ALA 27 CO 0.01 0.62 -0.33 -0.07 0.00 0.00 0.00 179.25 179.49 2gbx h LEU 28 N 1.14 0.77 -0.73 0.00 4.07 -0.86 -2.92 115.31 116.78 2gbx h LEU 28 Ca 0.28 -0.49 0.07 0.00 0.08 0.00 0.00 57.88 57.82 2gbx h LEU 28 Cb 0.06 -0.22 -0.06 0.00 1.08 0.00 0.00 40.66 41.53 2gbx h LEU 28 CO -0.04 1.11 0.42 -0.33 -1.08 0.00 0.00 178.44 178.51 2gbx h GLU 29 N 0.46 0.73 0.00 1.13 5.08 -0.51 0.55 114.58 122.01 2gbx h GLU 29 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2gbx h GLU 29 Cb 0.91 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2gbx h GLU 29 CO 0.08 0.49 0.00 0.82 -1.00 0.00 0.00 179.01 179.39 2gbx h ILE 30 N 0.76 0.00 0.00 3.13 1.08 -1.23 -0.98 117.51 120.26 2gbx h ILE 30 Ca 0.33 -0.46 -0.22 0.00 -0.39 0.00 0.00 64.86 64.13 2gbx h ILE 30 Cb 0.21 1.42 -0.04 0.00 -3.07 0.00 0.00 36.82 35.34 2gbx h ILE 30 CO -0.19 0.00 -1.88 1.21 -0.69 0.00 0.00 178.15 176.60 2gbx n GLU 31 N -2.97 0.65 0.00 2.37 4.07 -0.40 -3.25 120.64 121.11 2gbx n GLU 31 Ca 0.01 0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 2gbx n GLU 31 Cb 0.29 -1.66 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 2gbx n GLU 31 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2gbx n ARG 32 N -2.74 0.80 0.10 5.31 1.74 0.05 -4.50 116.66 117.42 2gbx n ARG 32 Ca -0.17 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 2gbx n ARG 32 Cb 0.92 -0.66 0.00 0.00 -1.02 0.00 0.00 32.46 31.70 2gbx n ARG 32 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2gbx n ILE 33 N -0.18 0.18 0.13 0.55 5.41 -0.44 -4.67 119.36 120.34 2gbx n ILE 33 Ca 0.00 0.06 -0.01 0.00 1.00 0.00 0.00 62.75 63.80 2gbx n ILE 33 Cb 0.07 -0.70 0.10 0.00 -0.71 0.00 0.00 39.64 38.40 2gbx n ILE 33 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2gbx h PHE 34 N 0.00 0.00 -0.01 1.39 0.04 -1.59 0.15 116.94 116.92 2gbx h PHE 34 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2gbx h PHE 34 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2gbx h PHE 34 CO 0.00 0.65 -0.03 0.43 -0.60 0.00 0.00 178.31 178.77 2gbx n SER 35 N -3.50 1.14 0.03 2.17 7.64 -1.20 -4.50 113.62 115.39 2gbx n SER 35 Ca -0.00 -1.31 -0.01 0.00 1.01 0.00 0.00 58.87 58.56 2gbx n SER 35 Cb 0.71 0.01 -0.00 0.00 -1.01 0.00 0.00 64.21 63.91 2gbx n SER 35 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2gbx n ARG 36 N -0.16 0.07 -1.53 1.43 1.74 -1.12 -2.56 116.66 114.53 2gbx n ARG 36 Ca 0.19 0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.98 2gbx n ARG 36 Cb 0.31 -0.62 0.07 0.00 -1.02 0.00 0.00 32.46 31.19 2gbx n ARG 36 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gbx s ALA 37 N -2.11 2.39 -0.20 7.54 0.00 0.51 -4.49 121.76 125.39 2gbx s ALA 37 Ca -0.04 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 2gbx s ALA 37 Cb 0.01 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 2gbx s ALA 37 CO 0.06 -1.49 1.29 -1.58 0.00 0.00 0.00 175.76 174.04 2gbx s TRP 38 N -2.63 2.77 -0.05 0.00 0.52 -1.26 -4.70 118.94 113.59 2gbx s TRP 38 Ca 0.64 0.95 -0.07 0.00 0.02 0.00 0.00 56.10 57.64 2gbx s TRP 38 Cb -0.19 -3.62 -0.04 0.00 -1.15 0.00 0.00 33.47 28.47 2gbx s TRP 38 CO 0.48 -1.78 0.21 -0.51 0.02 0.00 0.00 176.95 175.37 2gbx s LEU 39 N 3.76 4.39 -0.27 2.99 1.43 0.71 -4.57 118.68 127.12 2gbx s LEU 39 Ca 0.56 0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 53.88 2gbx s LEU 39 Cb -0.21 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 2gbx s LEU 39 CO 0.17 0.33 1.52 -0.32 0.23 0.00 0.00 176.35 178.28 2gbx s MET 40 N -1.41 3.78 -0.19 1.70 -2.45 -1.26 -0.16 119.30 119.31 2gbx s MET 40 Ca 0.21 1.46 -0.19 0.00 -1.25 0.00 0.00 55.69 55.93 2gbx s MET 40 Cb -0.13 -4.00 -0.15 0.00 1.25 0.00 0.00 34.83 31.80 2gbx s MET 40 CO 0.11 -1.31 0.14 -0.07 1.05 0.00 0.00 175.02 174.94 2gbx h LEU 41 N 11.63 0.00 0.00 4.11 3.38 -1.63 -3.48 115.31 129.33 2gbx h LEU 41 Ca -0.31 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2gbx h LEU 41 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2gbx h LEU 41 CO 1.02 1.28 0.00 0.61 0.09 0.00 0.00 178.44 181.44 2gbx n GLY 42 N 1.49 -1.00 3.19 0.83 0.00 -1.01 -4.94 105.19 103.75 2gbx n GLY 42 Ca -0.25 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 2gbx n GLY 42 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2gbx s HIS 43 N -4.00 0.18 0.31 1.61 2.46 -1.26 -0.46 115.29 114.13 2gbx s HIS 43 Ca 0.00 -0.61 0.07 0.00 0.47 0.00 0.00 55.06 54.99 2gbx s HIS 43 Cb 0.00 -0.09 0.79 0.00 -0.13 0.00 0.00 32.58 33.15 2gbx s HIS 43 CO 0.00 -0.52 1.77 0.93 -2.47 0.00 0.00 174.74 174.44 2gbx h GLU 44 N 2.82 0.69 0.00 2.88 5.08 -1.64 -2.11 114.58 122.29 2gbx h GLU 44 Ca -0.34 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 2gbx h GLU 44 Cb 1.19 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2gbx h GLU 44 CO 0.57 0.45 -0.16 0.66 -1.00 0.00 0.00 179.01 179.54 2gbx h SER 45 N 0.71 0.00 0.56 1.42 4.64 -1.87 -1.43 113.55 117.58 2gbx h SER 45 Ca 0.60 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.78 2gbx h SER 45 Cb 1.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 2gbx h SER 45 CO -0.40 0.16 -0.61 -0.07 -0.87 0.00 0.00 176.83 175.03 2gbx h LEU 46 N 0.00 0.06 -6.10 5.97 3.38 -1.61 -3.35 115.31 113.66 2gbx h LEU 46 Ca -0.00 -0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.36 2gbx h LEU 46 Cb 0.41 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 40.75 2gbx h LEU 46 CO 0.02 0.66 -0.97 1.33 0.09 0.00 0.00 178.44 179.57 2gbx n VAL 47 N -3.82 0.02 -0.01 1.22 0.24 -0.82 -4.83 118.33 110.33 2gbx n VAL 47 Ca -0.01 -4.26 -0.13 0.00 -2.04 0.00 0.00 64.34 57.90 2gbx n VAL 47 Cb 0.61 -1.97 -0.00 0.00 -1.47 0.00 0.00 33.84 31.01 2gbx n VAL 47 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2gbx h PRO 48 N 4.20 0.65 -6.26 7.34 0.13 -1.43 -3.44 132.00 133.19 2gbx h PRO 48 Ca 0.12 -0.46 -0.57 0.00 -0.87 0.00 0.00 66.00 64.21 2gbx h PRO 48 Cb 0.83 0.07 -0.10 0.00 0.13 0.00 0.00 31.00 31.94 2gbx h PRO 48 CO 0.55 1.08 -0.63 0.15 -0.23 0.00 0.00 178.00 178.91 2gbx s LYS 49 N -3.89 2.43 0.11 0.86 1.02 -1.26 -5.00 119.74 114.01 2gbx s LYS 49 Ca -0.08 -1.23 -0.35 0.00 0.02 0.00 0.00 55.97 54.32 2gbx s LYS 49 Cb 0.10 -2.30 -0.15 0.00 -0.52 0.00 0.00 37.83 34.96 2gbx s LYS 49 CO 0.87 0.41 1.46 -2.30 -0.92 0.00 0.00 175.35 174.86 2gbx n PRO 50 N -0.61 1.61 0.00 -1.68 -0.02 -1.26 -1.93 135.00 131.12 2gbx n PRO 50 Ca -0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2gbx n PRO 50 Cb 0.57 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2gbx n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gbx n GLY 51 N 2.96 3.34 3.77 -1.23 0.00 -0.60 -4.95 105.19 108.48 2gbx n GLY 51 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2gbx n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gbx s ASP 52 N -1.07 6.82 0.05 1.61 1.11 -0.81 -1.03 116.67 123.36 2gbx s ASP 52 Ca 0.00 2.45 -0.01 0.00 0.18 0.00 0.00 52.55 55.17 2gbx s ASP 52 Cb 0.00 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 2gbx s ASP 52 CO 0.00 -0.47 -0.02 0.72 1.18 0.00 0.00 175.17 176.58 2gbx s PHE 53 N -1.24 0.50 0.12 4.23 -0.71 -0.09 -0.54 117.98 120.25 2gbx s PHE 53 Ca 0.50 -1.04 0.06 0.00 -1.04 0.00 0.00 56.93 55.41 2gbx s PHE 53 Cb -0.34 -0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.06 2gbx s PHE 53 CO 0.45 -0.39 -0.13 0.96 -1.34 0.00 0.00 175.22 174.77 2gbx s ILE 54 N -3.90 1.29 -0.11 -4.49 -4.36 -0.54 -2.65 121.20 106.44 2gbx s ILE 54 Ca 0.07 -1.75 -0.18 0.00 -0.26 0.00 0.00 60.65 58.52 2gbx s ILE 54 Cb 0.08 -1.55 -0.04 0.00 1.25 0.00 0.00 42.46 42.19 2gbx s ILE 54 CO -0.10 -0.46 0.49 0.42 0.24 0.00 0.00 174.94 175.53 2gbx s THR 55 N -2.28 5.18 0.34 8.37 -4.23 -0.76 -1.78 115.64 120.47 2gbx s THR 55 Ca 0.09 0.98 -0.00 0.00 -1.18 0.00 0.00 61.69 61.59 2gbx s THR 55 Cb -0.04 -3.83 -0.00 0.00 1.34 0.00 0.00 72.50 69.97 2gbx s THR 55 CO 0.03 0.33 0.43 0.28 -0.54 0.00 0.00 174.62 175.15 2gbx s THR 56 N 0.61 0.00 0.09 3.99 -1.32 -0.66 -4.92 115.64 113.44 2gbx s THR 56 Ca 0.27 -1.68 0.03 0.00 -1.21 0.00 0.00 61.69 59.10 2gbx s THR 56 Cb -0.15 -2.62 -0.04 0.00 -1.51 0.00 0.00 72.50 68.18 2gbx s THR 56 CO 0.11 0.00 0.09 -0.31 -2.21 0.00 0.00 174.62 172.29 2gbx s TYR 57 N -3.12 3.17 -0.67 9.09 2.02 -1.26 -0.53 117.35 126.06 2gbx s TYR 57 Ca 0.33 0.06 0.02 0.00 -0.37 0.00 0.00 57.07 57.11 2gbx s TYR 57 Cb 0.00 -1.60 0.16 0.00 -0.40 0.00 0.00 41.96 40.13 2gbx s TYR 57 CO 0.22 0.52 0.46 -1.64 -1.57 0.00 0.00 175.55 173.54 2gbx s MET 58 N -2.51 2.47 7.43 -0.62 -1.94 0.64 -4.88 119.30 119.89 2gbx s MET 58 Ca 0.29 -3.00 0.00 0.00 -1.71 0.00 0.00 55.69 51.27 2gbx s MET 58 Cb -0.12 -3.53 0.00 0.00 2.01 0.00 0.00 34.83 33.19 2gbx s MET 58 CO 0.22 -1.21 0.00 0.00 -0.01 0.00 0.00 175.02 174.02 2gbx n ALA 59 N 2.60 0.00 0.19 3.03 0.00 -1.26 -3.06 120.51 122.01 2gbx n ALA 59 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.67 2gbx n ALA 59 Cb 0.35 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.05 2gbx n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2gbx n GLU 60 N 12.54 2.34 -3.70 0.00 1.02 -1.26 -4.52 120.64 127.07 2gbx n GLU 60 Ca 0.00 -2.03 -0.36 0.00 -0.02 0.00 0.00 57.16 54.75 2gbx n GLU 60 Cb 0.00 -1.45 -0.09 0.00 -0.02 0.00 0.00 31.44 29.88 2gbx n GLU 60 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2gbx s ASP 61 N -0.99 6.15 -0.13 1.62 1.01 -1.17 -5.06 116.67 118.10 2gbx s ASP 61 Ca 0.38 0.16 -0.28 0.00 0.71 0.00 0.00 52.55 53.52 2gbx s ASP 61 Cb 0.20 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 42.02 2gbx s ASP 61 CO 0.25 0.12 0.93 -0.54 0.21 0.00 0.00 175.17 176.14 2gbx s LYS 62 N 0.74 4.37 0.16 8.23 1.02 -1.26 -0.26 119.74 132.74 2gbx s LYS 62 Ca 0.08 1.24 0.06 0.00 0.02 0.00 0.00 55.97 57.37 2gbx s LYS 62 Cb -0.12 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 2gbx s LYS 62 CO 0.02 -0.31 -0.13 0.14 -0.92 0.00 0.00 175.35 174.14 2gbx s VAL 63 N 2.05 1.42 -0.33 3.17 -7.23 0.31 0.13 120.40 119.93 2gbx s VAL 63 Ca 0.44 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2gbx s VAL 63 Cb -0.17 -1.79 0.09 0.00 0.56 0.00 0.00 36.38 35.07 2gbx s VAL 63 CO 0.16 -0.56 0.04 -0.63 -0.31 0.00 0.00 175.10 173.79 2gbx s ILE 64 N -2.73 2.09 0.09 -0.62 1.01 0.09 -1.65 121.20 119.49 2gbx s ILE 64 Ca 0.15 -2.14 -0.28 0.00 0.00 0.00 0.00 60.65 58.39 2gbx s ILE 64 Cb -0.02 -2.51 -0.06 0.00 0.01 0.00 0.00 42.46 39.89 2gbx s ILE 64 CO 0.04 -0.54 0.89 -0.22 0.00 0.00 0.00 174.94 175.11 2gbx s LEU 65 N 1.01 4.48 -0.00 2.97 2.96 -0.74 -3.07 118.68 126.30 2gbx s LEU 65 Ca 0.08 1.66 0.00 0.00 -0.22 0.00 0.00 54.13 55.66 2gbx s LEU 65 Cb -0.19 -3.45 -0.00 0.00 0.50 0.00 0.00 46.19 43.05 2gbx s LEU 65 CO -0.10 -0.03 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.34 2gbx s SER 66 N -0.03 0.15 -0.27 3.68 0.15 -0.61 -1.47 113.70 115.30 2gbx s SER 66 Ca 0.44 -0.04 -0.24 0.00 0.70 0.00 0.00 55.95 56.80 2gbx s SER 66 Cb -0.22 -0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2gbx s SER 66 CO 0.27 0.01 0.83 -2.28 1.20 0.00 0.00 173.24 173.27 2gbx s HIS 67 N -0.07 3.26 0.82 3.44 2.46 0.29 -2.44 115.29 123.06 2gbx s HIS 67 Ca 0.00 1.03 -0.12 0.00 0.47 0.00 0.00 55.06 56.44 2gbx s HIS 67 Cb -0.01 -3.15 0.10 0.00 -0.13 0.00 0.00 32.58 29.39 2gbx s HIS 67 CO -0.00 -0.48 1.19 -0.65 -2.47 0.00 0.00 174.74 172.32 2gbx s GLN 68 N 2.94 1.75 0.20 2.88 -1.52 -0.15 -1.56 119.66 124.20 2gbx s GLN 68 Ca 0.35 -0.03 -0.06 0.00 -1.95 0.00 0.00 55.36 53.67 2gbx s GLN 68 Cb -0.15 -1.96 0.13 0.00 -0.22 0.00 0.00 33.01 30.82 2gbx s GLN 68 CO 0.10 -1.70 1.59 0.77 -0.25 0.00 0.00 175.29 175.79 2gbx h SER 69 N -1.11 0.82 0.86 5.90 0.02 -1.95 -3.04 113.55 115.05 2gbx h SER 69 Ca -0.45 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.17 2gbx h SER 69 Cb 1.31 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2gbx h SER 69 CO 0.60 1.05 0.00 -0.90 -1.14 0.00 0.00 176.83 176.44 2gbx n ASP 70 N -4.09 0.00 0.00 3.07 5.75 -1.26 -4.90 116.55 115.12 2gbx n ASP 70 Ca -0.01 0.48 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 2gbx n ASP 70 Cb 0.47 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2gbx n ASP 70 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2gbx n GLY 71 N 1.11 2.45 3.78 6.12 0.00 -1.15 -5.10 105.19 112.41 2gbx n GLY 71 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2gbx n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gbx s THR 72 N -2.37 1.98 -0.10 2.61 -4.23 -1.26 -4.72 115.64 107.55 2gbx s THR 72 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 2gbx s THR 72 Cb 0.00 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.10 2gbx s THR 72 CO 0.00 0.00 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.51 2gbx s PHE 73 N -3.29 2.34 0.03 3.99 0.08 -1.26 -0.98 117.98 118.89 2gbx s PHE 73 Ca 0.65 -0.98 0.06 0.00 0.12 0.00 0.00 56.93 56.78 2gbx s PHE 73 Cb -0.14 -1.59 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 2gbx s PHE 73 CO 0.53 -0.41 -0.19 1.03 -0.10 0.00 0.00 175.22 176.08 2gbx s ARG 74 N 0.47 1.34 0.13 0.44 1.81 -1.02 -4.77 118.95 117.35 2gbx s ARG 74 Ca -0.17 -0.83 0.06 0.00 -1.72 0.00 0.00 55.73 53.07 2gbx s ARG 74 Cb -0.17 -1.40 -0.04 0.00 -0.45 0.00 0.00 34.95 32.89 2gbx s ARG 74 CO 0.07 0.36 -0.15 0.00 -0.68 0.00 0.00 175.30 174.90 2gbx s ALA 75 N -0.71 1.58 0.16 2.13 0.00 -1.26 -1.57 121.76 122.09 2gbx s ALA 75 Ca 0.06 -1.32 -0.19 0.00 0.00 0.00 0.00 51.96 50.51 2gbx s ALA 75 Cb -0.08 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.99 2gbx s ALA 75 CO 0.01 0.13 0.51 -0.59 0.00 0.00 0.00 175.76 175.81 2gbx s PHE 76 N -2.11 -0.28 0.11 0.00 -0.71 -1.17 -0.10 117.98 113.71 2gbx s PHE 76 Ca 0.10 -0.01 -0.31 0.00 -1.04 0.00 0.00 56.93 55.67 2gbx s PHE 76 Cb -0.05 0.41 -0.08 0.00 -1.21 0.00 0.00 43.02 42.08 2gbx s PHE 76 CO 0.04 -0.83 1.45 0.42 -1.34 0.00 0.00 175.22 174.96 2gbx s ILE 77 N -3.81 3.19 -1.21 -4.49 -1.09 0.19 -0.73 121.20 113.25 2gbx s ILE 77 Ca 0.04 0.81 -0.17 0.00 -2.23 0.00 0.00 60.65 59.10 2gbx s ILE 77 Cb -0.00 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 2gbx s ILE 77 CO -0.09 0.05 2.06 -3.20 -1.23 0.00 0.00 174.94 172.53 2gbx n ASN 78 N 4.31 3.52 -3.64 3.58 5.15 0.35 -4.62 115.26 123.90 2gbx n ASN 78 Ca 0.13 -2.79 -0.06 0.00 -0.60 0.00 0.00 54.58 51.26 2gbx n ASN 78 Cb 0.42 -1.50 -0.07 0.00 -0.53 0.00 0.00 39.78 38.10 2gbx n ASN 78 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2gbx s SER 79 N 4.06 -0.95 0.35 1.20 0.15 -1.26 -4.12 113.70 113.12 2gbx s SER 79 Ca 0.52 1.49 -0.27 0.00 0.70 0.00 0.00 55.95 58.40 2gbx s SER 79 Cb 0.12 1.49 -0.09 0.00 -1.71 0.00 0.00 66.02 65.83 2gbx s SER 79 CO 0.01 -0.23 1.11 0.00 1.20 0.00 0.00 173.24 175.33 2gbx n SER 81 N 0.53 0.13 0.00 0.00 3.41 -1.26 -1.88 113.62 114.54 2gbx n SER 81 Ca 0.02 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 2gbx n SER 81 Cb 0.46 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2gbx n SER 81 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2gbx n HIS 82 N -1.62 0.00 0.18 7.33 -0.00 -1.26 -4.69 115.22 115.15 2gbx n HIS 82 Ca 0.06 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.80 2gbx n HIS 82 Cb 0.30 -0.26 0.02 0.00 -0.00 0.00 0.00 29.99 30.04 2gbx n HIS 82 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2gbx n ARG 83 N -1.29 -0.06 0.00 1.57 5.12 -1.26 -5.00 116.66 115.73 2gbx n ARG 83 Ca 0.00 -0.71 0.00 0.00 -1.93 0.00 0.00 57.85 55.21 2gbx n ARG 83 Cb 0.00 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 2gbx n ARG 83 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2gbx n GLY 84 N 0.29 1.07 3.61 -0.13 0.00 -0.79 -5.04 105.19 104.20 2gbx n GLY 84 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2gbx n GLY 84 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2gbx n ASN 85 N 0.00 1.34 -4.75 1.61 5.15 -1.26 -3.85 115.26 113.50 2gbx n ASN 85 Ca 0.00 1.08 -0.41 0.00 -0.60 0.00 0.00 54.58 54.65 2gbx n ASN 85 Cb 0.00 -1.34 -0.02 0.00 -0.53 0.00 0.00 39.78 37.89 2gbx n ASN 85 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2gbx s GLN 86 N -1.88 4.28 -0.09 1.20 0.74 -1.26 0.18 119.66 122.83 2gbx s GLN 86 Ca 0.61 2.28 -0.01 0.00 0.05 0.00 0.00 55.36 58.30 2gbx s GLN 86 Cb -0.59 -3.11 -0.00 0.00 1.10 0.00 0.00 33.01 30.41 2gbx s GLN 86 CO 0.58 -0.39 0.03 0.82 -0.55 0.00 0.00 175.29 175.79 2gbx h ILE 87 N 3.48 0.00 -3.31 -2.34 2.04 -1.90 -3.41 117.51 112.07 2gbx h ILE 87 Ca -0.46 -0.91 -0.67 0.00 1.00 0.00 0.00 64.86 63.82 2gbx h ILE 87 Cb 1.22 0.00 -0.30 0.00 -0.74 0.00 0.00 36.82 37.00 2gbx h ILE 87 CO 0.76 0.00 -0.82 0.00 0.00 0.00 0.00 178.15 178.09 2gbx n HIS 89 N 3.67 0.00 -2.27 0.00 8.25 -1.26 -4.99 115.22 118.62 2gbx n HIS 89 Ca -0.19 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.86 2gbx n HIS 89 Cb 0.53 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 2gbx n HIS 89 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gbx s ALA 90 N -2.90 3.48 0.20 -1.41 0.00 -1.26 -4.94 121.76 114.94 2gbx s ALA 90 Ca 0.05 1.08 -0.07 0.00 0.00 0.00 0.00 51.96 53.02 2gbx s ALA 90 Cb 0.14 -3.44 0.14 0.00 0.00 0.00 0.00 23.12 19.95 2gbx s ALA 90 CO 0.79 -0.46 1.65 -0.44 0.00 0.00 0.00 175.76 177.30 2gbx h ASP 91 N 4.63 0.95 -5.02 0.00 3.32 -1.94 -3.35 116.42 115.02 2gbx h ASP 91 Ca -0.46 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.31 2gbx h ASP 91 Cb 1.22 -0.26 -0.09 0.00 0.22 0.00 0.00 39.33 40.42 2gbx h ASP 91 CO 0.72 1.04 0.18 -0.94 -1.72 0.00 0.00 179.24 178.52 2gbx s SER 92 N -6.64 -0.40 0.00 6.45 1.04 -1.26 -1.83 113.70 111.06 2gbx s SER 92 Ca -0.11 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2gbx s SER 92 Cb 0.14 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.89 2gbx s SER 92 CO 0.85 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2gbx n GLY 93 N -0.40 -1.32 3.10 7.32 0.00 -1.08 -5.02 105.19 107.79 2gbx n GLY 93 Ca -0.11 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.52 2gbx n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gbx s ASN 94 N -4.00 2.39 -0.25 1.61 3.84 -1.26 -0.91 114.94 116.36 2gbx s ASN 94 Ca 0.00 -0.42 -0.26 0.00 0.21 0.00 0.00 52.86 52.39 2gbx s ASN 94 Cb 0.00 -1.09 0.07 0.00 -0.55 0.00 0.00 41.25 39.68 2gbx s ASN 94 CO 0.00 0.07 0.73 0.00 -2.79 0.00 0.00 177.10 175.11 2gbx s ALA 95 N 0.66 -1.79 -1.13 1.71 0.00 -0.19 -4.96 121.76 116.05 2gbx s ALA 95 Ca -0.14 1.94 0.25 0.00 0.00 0.00 0.00 51.96 54.02 2gbx s ALA 95 Cb -0.16 -1.06 0.51 0.00 0.00 0.00 0.00 23.12 22.40 2gbx s ALA 95 CO 0.04 -0.34 1.41 1.63 0.00 0.00 0.00 175.76 178.50 2gbx n LYS 96 N 2.46 0.15 -3.49 0.00 5.02 -1.26 -4.68 118.16 116.36 2gbx n LYS 96 Ca -0.14 -0.09 -0.15 0.00 -2.02 0.00 0.00 58.31 55.90 2gbx n LYS 96 Cb 0.55 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.02 2gbx n LYS 96 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gbx s ALA 97 N -2.91 -1.67 -0.19 7.82 0.00 -1.26 -4.02 121.76 119.53 2gbx s ALA 97 Ca 0.13 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2gbx s ALA 97 Cb 0.18 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.69 2gbx s ALA 97 CO 0.68 -0.53 -0.17 -0.06 0.00 0.00 0.00 175.76 175.68 2gbx s PHE 98 N -2.27 2.82 -0.19 0.00 0.08 0.17 -4.94 117.98 113.65 2gbx s PHE 98 Ca -0.06 -1.52 -0.09 0.00 0.12 0.00 0.00 56.93 55.38 2gbx s PHE 98 Cb -0.00 -1.96 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 2gbx s PHE 98 CO 0.00 -0.76 0.11 0.08 -0.10 0.00 0.00 175.22 174.56 2gbx s VAL 99 N 1.33 5.25 0.12 -0.44 1.01 -1.26 -0.18 120.40 126.23 2gbx s VAL 99 Ca 0.05 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2gbx s VAL 99 Cb -0.13 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 2gbx s VAL 99 CO -0.11 0.45 1.11 0.00 0.00 0.00 0.00 175.10 176.55 2gbx n ASN 101 N 3.00 0.00 0.02 0.00 3.02 -1.26 -1.99 115.26 118.05 2gbx n ASN 101 Ca 0.05 0.11 -0.01 0.00 -0.03 0.00 0.00 54.58 54.70 2gbx n ASN 101 Cb 0.47 -0.37 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 2gbx n ASN 101 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2gbx h TYR 102 N 0.00 -0.07 0.00 3.10 5.03 -1.92 -3.44 116.97 119.67 2gbx h TYR 102 Ca 0.00 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.22 2gbx h TYR 102 Cb 0.36 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 2gbx h TYR 102 CO 0.00 -0.05 -1.42 0.72 -1.32 0.00 0.00 178.16 176.10 2gbx n HIS 103 N -2.58 0.00 0.00 -3.82 8.25 -1.26 -5.05 115.22 110.76 2gbx n HIS 103 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2gbx n HIS 103 Cb 0.03 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 30.86 2gbx n HIS 103 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gbx n GLY 104 N 2.43 1.99 3.63 -1.41 0.00 -0.84 -4.88 105.19 106.11 2gbx n GLY 104 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2gbx n GLY 104 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gbx s TRP 105 N -2.00 2.29 -0.11 1.61 0.52 -1.26 -4.40 118.94 115.59 2gbx s TRP 105 Ca 0.00 0.65 -0.25 0.00 0.02 0.00 0.00 56.10 56.52 2gbx s TRP 105 Cb 0.00 -3.95 -0.02 0.00 -1.15 0.00 0.00 33.47 28.34 2gbx s TRP 105 CO 0.00 -2.56 0.79 0.08 0.02 0.00 0.00 176.95 175.28 2gbx s VAL 106 N 4.91 4.95 -0.02 4.03 1.01 -0.66 -2.22 120.40 132.40 2gbx s VAL 106 Ca 0.67 1.59 0.04 0.00 0.00 0.00 0.00 61.98 64.28 2gbx s VAL 106 Cb -0.22 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 2gbx s VAL 106 CO 0.27 0.13 -0.14 -0.36 0.00 0.00 0.00 175.10 175.00 2gbx s PHE 107 N 1.52 2.70 0.23 5.22 0.08 0.75 -1.95 117.98 126.54 2gbx s PHE 107 Ca 0.39 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.24 2gbx s PHE 107 Cb -0.17 -1.58 0.05 0.00 -0.57 0.00 0.00 43.02 40.75 2gbx s PHE 107 CO 0.16 0.24 0.28 0.41 -0.10 0.00 0.00 175.22 176.21 2gbx n GLY 108 N 1.96 -1.54 0.17 4.36 0.00 -0.10 0.44 105.19 110.49 2gbx n GLY 108 Ca -0.17 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.26 2gbx n GLY 108 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2gbx h GLN 109 N 0.00 0.00 -0.11 1.61 4.20 -1.90 -2.86 115.11 116.04 2gbx h GLN 109 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2gbx h GLN 109 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2gbx h GLN 109 CO 0.07 0.44 0.00 -0.40 -0.67 0.00 0.00 178.83 178.27 2gbx n ASP 110 N -3.83 1.83 0.00 1.46 5.75 -1.26 -4.76 116.55 115.74 2gbx n ASP 110 Ca -0.01 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 2gbx n ASP 110 Cb 0.49 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 2gbx n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2gbx n GLY 111 N 1.19 0.60 3.76 6.12 0.00 -1.08 -4.86 105.19 110.92 2gbx n GLY 111 Ca 0.17 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 2gbx n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gbx s SER 112 N -2.45 7.01 -0.81 1.61 0.01 -1.26 -0.03 113.70 117.78 2gbx s SER 112 Ca 0.00 1.21 -0.25 0.00 1.31 0.00 0.00 55.95 58.22 2gbx s SER 112 Cb 0.00 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2gbx s SER 112 CO 0.00 0.09 1.91 -0.22 0.41 0.00 0.00 173.24 175.44 2gbx s LEU 113 N -0.20 3.21 0.03 2.44 2.96 -1.26 -0.92 118.68 124.94 2gbx s LEU 113 Ca 0.32 -0.38 -0.09 0.00 -0.22 0.00 0.00 54.13 53.76 2gbx s LEU 113 Cb -0.19 -2.55 -0.31 0.00 0.50 0.00 0.00 46.19 43.64 2gbx s LEU 113 CO 0.18 -2.62 1.00 -0.37 -1.32 0.00 0.00 176.35 173.22 2gbx h VAL 114 N 7.14 1.31 -3.24 1.68 -1.51 -1.74 -3.45 116.25 116.44 2gbx h VAL 114 Ca -0.01 -2.83 -0.13 0.00 -1.23 0.00 0.00 66.70 62.49 2gbx h VAL 114 Cb 1.05 2.94 -0.21 0.00 -2.13 0.00 0.00 31.29 32.94 2gbx h VAL 114 CO 1.22 0.85 -0.38 -0.62 -1.23 0.00 0.00 177.57 177.41 2gbx s ASP 115 N -7.30 -0.11 -0.03 4.19 2.15 -1.18 -5.06 116.67 109.33 2gbx s ASP 115 Ca -0.08 0.01 0.01 0.00 0.43 0.00 0.00 52.55 52.92 2gbx s ASP 115 Cb 0.06 0.29 0.02 0.00 -0.30 0.00 0.00 42.92 42.99 2gbx s ASP 115 CO 0.90 -0.38 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.81 2gbx s VAL 116 N -1.21 0.28 0.36 1.11 1.01 -1.26 -1.65 120.40 119.04 2gbx s VAL 116 Ca -0.13 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.59 2gbx s VAL 116 Cb -0.06 -0.35 -0.12 0.00 0.00 0.00 0.00 36.38 35.86 2gbx s VAL 116 CO 0.03 0.16 1.40 -2.65 0.00 0.00 0.00 175.10 174.04 2gbx n PRO 117 N 4.05 2.43 -3.71 2.72 -0.02 -1.26 -3.18 135.00 136.03 2gbx n PRO 117 Ca -0.26 0.85 -0.23 0.00 -2.02 0.00 0.00 63.50 61.84 2gbx n PRO 117 Cb 0.51 -2.52 0.04 0.00 -0.02 0.00 0.00 33.50 31.51 2gbx n PRO 117 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2gbx n LEU 118 N 0.62 -3.11 -0.04 2.45 4.77 -1.26 -4.90 117.00 115.54 2gbx n LEU 118 Ca 0.03 -0.76 -0.13 0.00 -0.03 0.00 0.00 56.01 55.11 2gbx n LEU 118 Cb 0.37 -2.72 -0.11 0.00 -2.33 0.00 0.00 43.42 38.63 2gbx n LEU 118 CO 0.63 0.44 0.52 -0.08 -1.33 0.00 0.00 177.39 177.57 2gbx h GLU 119 N -2.00 -0.00 -0.01 3.23 4.81 -1.95 -1.31 114.58 117.35 2gbx h GLU 119 Ca -0.60 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.49 2gbx h GLU 119 Cb 1.36 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 2gbx h GLU 119 CO 0.58 0.71 -0.69 1.03 -0.73 0.00 0.00 179.01 179.91 2gbx h SER 120 N -0.73 0.04 0.00 1.04 0.87 -1.91 0.13 113.55 112.99 2gbx h SER 120 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2gbx h SER 120 Cb 0.72 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2gbx h SER 120 CO 0.00 0.72 -0.19 -0.09 -0.53 0.00 0.00 176.83 176.73 2gbx h ARG 121 N 0.02 0.00 0.06 2.24 9.65 -1.96 -3.31 114.38 121.08 2gbx h ARG 121 Ca -0.01 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.60 2gbx h ARG 121 Cb 1.22 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 2gbx h ARG 121 CO 0.09 0.00 -1.44 0.00 2.80 0.00 0.00 179.97 181.42 2gbx h TYR 123 N -0.56 0.00 -2.88 0.00 0.05 -1.28 -3.48 116.97 108.82 2gbx h TYR 123 Ca -0.35 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.05 2gbx h TYR 123 Cb 1.59 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.32 2gbx h TYR 123 CO 0.11 0.00 -0.50 0.72 -1.05 0.00 0.00 178.16 177.44 2gbx n HIS 124 N -2.90 -1.01 -2.03 4.88 8.25 0.25 -2.33 115.22 120.33 2gbx n HIS 124 Ca 0.04 0.05 -0.16 0.00 -0.26 0.00 0.00 57.72 57.39 2gbx n HIS 124 Cb 0.47 -3.78 -0.03 0.00 1.12 0.00 0.00 29.99 27.77 2gbx n HIS 124 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2gbx n ASN 125 N -1.71 -4.48 0.01 0.41 3.02 0.02 -4.85 115.26 107.67 2gbx n ASN 125 Ca -0.21 0.22 0.11 0.00 -0.03 0.00 0.00 54.58 54.67 2gbx n ASN 125 Cb 0.67 -3.89 -0.00 0.00 -0.61 0.00 0.00 39.78 35.94 2gbx n ASN 125 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2gbx n SER 126 N -1.44 0.73 -4.62 6.41 7.64 -0.98 -4.89 113.62 116.46 2gbx n SER 126 Ca -0.17 -0.59 -0.43 0.00 1.01 0.00 0.00 58.87 58.69 2gbx n SER 126 Cb 0.59 0.84 -0.02 0.00 -1.01 0.00 0.00 64.21 64.60 2gbx n SER 126 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2gbx s LEU 127 N -3.30 3.80 -0.90 -3.43 2.96 -1.26 -4.93 118.68 111.63 2gbx s LEU 127 Ca 0.07 1.44 -0.24 0.00 -0.22 0.00 0.00 54.13 55.17 2gbx s LEU 127 Cb 0.16 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.33 2gbx s LEU 127 CO 0.82 -1.32 1.58 -0.62 -1.32 0.00 0.00 176.35 175.49 2gbx s ASP 128 N 4.28 5.98 0.49 3.68 -1.08 -1.26 -4.82 116.67 123.94 2gbx s ASP 128 Ca 0.70 -0.90 0.28 0.00 -0.52 0.00 0.00 52.55 52.11 2gbx s ASP 128 Cb -0.22 -2.56 1.01 0.00 -1.46 0.00 0.00 42.92 39.68 2gbx s ASP 128 CO 0.29 -1.96 1.85 0.11 0.52 0.00 0.00 175.17 175.99 2gbx h LYS 129 N 10.72 0.00 -0.71 4.34 1.57 -1.91 -3.17 116.57 127.40 2gbx h LYS 129 Ca 0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2gbx h LYS 129 Cb 1.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 2gbx h LYS 129 CO 1.33 0.10 0.27 1.96 -0.57 0.00 0.00 179.45 182.53 2gbx h GLN 130 N 0.00 1.08 0.00 3.15 1.08 -1.87 -2.92 115.11 115.62 2gbx h GLN 130 Ca -0.00 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2gbx h GLN 130 Cb 0.70 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2gbx h GLN 130 CO 0.01 0.90 -0.25 1.63 -0.95 0.00 0.00 178.83 180.17 2gbx n LYS 131 N -4.34 0.08 -1.49 1.46 5.02 -1.20 -4.06 118.16 113.63 2gbx n LYS 131 Ca 0.06 0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 56.08 2gbx n LYS 131 Cb 0.19 -1.57 0.07 0.00 -0.02 0.00 0.00 35.03 33.70 2gbx n LYS 131 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2gbx n LEU 132 N -1.70 6.87 -4.84 -0.35 4.77 -1.10 -4.99 117.00 115.65 2gbx n LEU 132 Ca 0.06 -4.38 -0.33 0.00 -0.03 0.00 0.00 56.01 51.33 2gbx n LEU 132 Cb 0.37 -0.80 -0.06 0.00 -2.33 0.00 0.00 43.42 40.60 2gbx n LEU 132 CO 0.31 1.62 0.44 0.00 -1.33 0.00 0.00 177.39 178.43 2gbx s ALA 133 N -3.74 3.30 0.17 -1.18 0.00 -1.25 -4.36 121.76 114.71 2gbx s ALA 133 Ca 0.61 0.09 -0.31 0.00 0.00 0.00 0.00 51.96 52.34 2gbx s ALA 133 Cb 0.48 -2.81 -0.10 0.00 0.00 0.00 0.00 23.12 20.69 2gbx s ALA 133 CO 0.01 0.31 1.56 0.00 0.00 0.00 0.00 175.76 177.64 2gbx s ALA 134 N -1.96 3.76 -0.18 0.00 0.00 0.96 -4.85 121.76 119.50 2gbx s ALA 134 Ca 0.54 1.37 -0.33 0.00 0.00 0.00 0.00 51.96 53.53 2gbx s ALA 134 Cb -0.11 -3.62 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 2gbx s ALA 134 CO 0.17 -0.78 2.02 1.17 0.00 0.00 0.00 175.76 178.34 2gbx n LYS 135 N 3.83 1.87 -2.55 0.00 4.81 -1.26 -4.64 118.16 120.22 2gbx n LYS 135 Ca 0.13 0.63 -0.39 0.00 -0.87 0.00 0.00 58.31 57.81 2gbx n LYS 135 Cb 0.39 -2.71 -0.05 0.00 0.02 0.00 0.00 35.03 32.68 2gbx n LYS 135 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2gbx s SER 136 N 5.63 7.18 -0.13 3.14 1.04 -1.26 -0.64 113.70 128.65 2gbx s SER 136 Ca 0.98 2.14 -0.07 0.00 0.48 0.00 0.00 55.95 59.48 2gbx s SER 136 Cb -0.67 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 62.80 2gbx s SER 136 CO 0.48 -0.19 0.13 -0.69 0.98 0.00 0.00 173.24 173.94 2gbx s VAL 137 N -1.32 5.39 -0.25 5.02 1.01 0.86 -4.90 120.40 126.20 2gbx s VAL 137 Ca 0.48 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 2gbx s VAL 137 Cb -0.28 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 2gbx s VAL 137 CO 0.35 0.58 1.48 -0.60 0.00 0.00 0.00 175.10 176.92 2gbx s ARG 138 N -0.72 3.84 -0.12 2.72 3.52 -0.66 -4.02 118.95 123.52 2gbx s ARG 138 Ca 0.13 1.49 -0.01 0.00 -0.13 0.00 0.00 55.73 57.21 2gbx s ARG 138 Cb -0.12 -3.97 -0.02 0.00 -1.56 0.00 0.00 34.95 29.28 2gbx s ARG 138 CO 0.03 -1.22 -0.07 0.08 -0.81 0.00 0.00 175.30 173.30 2gbx s VAL 139 N 4.86 3.60 0.02 7.11 1.01 -1.26 -1.03 120.40 134.71 2gbx s VAL 139 Ca 0.65 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 2gbx s VAL 139 Cb -0.21 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2gbx s VAL 139 CO 0.27 0.53 0.05 -1.61 0.00 0.00 0.00 175.10 174.34 2gbx s GLU 140 N -0.01 0.42 0.10 2.72 2.02 -1.17 -5.01 118.70 117.76 2gbx s GLU 140 Ca -0.01 -0.57 0.08 0.00 0.02 0.00 0.00 54.97 54.50 2gbx s GLU 140 Cb -0.14 0.16 -0.03 0.00 0.10 0.00 0.00 34.13 34.22 2gbx s GLU 140 CO 0.03 -0.09 -0.21 0.95 0.02 0.00 0.00 175.26 175.96 2gbx s THR 141 N -1.65 1.76 -0.18 3.63 -4.23 -1.26 -0.91 115.64 112.80 2gbx s THR 141 Ca -0.13 -1.52 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 2gbx s THR 141 Cb -0.07 -1.59 0.06 0.00 1.34 0.00 0.00 72.50 72.24 2gbx s THR 141 CO -0.01 -0.01 0.06 -0.47 -0.54 0.00 0.00 174.62 173.65 2gbx s TYR 142 N -1.11 0.60 -1.46 3.99 5.04 -0.53 -4.86 117.35 119.02 2gbx s TYR 142 Ca 0.07 -0.56 -0.09 0.00 -2.44 0.00 0.00 57.07 54.06 2gbx s TYR 142 Cb -0.10 -0.85 0.03 0.00 0.35 0.00 0.00 41.96 41.40 2gbx s TYR 142 CO 0.04 -0.55 0.85 1.63 -1.34 0.00 0.00 175.55 176.18 2gbx n LYS 143 N 5.17 -5.76 0.00 4.97 4.76 -1.26 -2.16 118.16 123.88 2gbx n LYS 143 Ca -0.08 0.76 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 2gbx n LYS 143 Cb 0.48 -5.67 0.00 0.00 -1.84 0.00 0.00 35.03 28.00 2gbx n LYS 143 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gbx n GLY 144 N -1.66 2.89 3.65 0.72 0.00 -1.26 -4.75 105.19 104.77 2gbx n GLY 144 Ca -0.03 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2gbx n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gbx s PHE 145 N -1.95 2.37 -0.14 1.61 0.08 -0.92 -1.65 117.98 117.38 2gbx s PHE 145 Ca 0.00 0.62 -0.18 0.00 0.12 0.00 0.00 56.93 57.50 2gbx s PHE 145 Cb 0.00 -3.79 -0.04 0.00 -0.57 0.00 0.00 43.02 38.62 2gbx s PHE 145 CO 0.00 -2.68 0.47 0.42 -0.10 0.00 0.00 175.22 173.33 2gbx s ILE 146 N 4.19 5.18 0.38 0.64 1.01 0.39 -1.45 121.20 131.55 2gbx s ILE 146 Ca 0.65 0.92 0.08 0.00 0.00 0.00 0.00 60.65 62.29 2gbx s ILE 146 Cb -0.26 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 2gbx s ILE 146 CO 0.24 0.29 0.14 -0.36 0.00 0.00 0.00 174.94 175.25 2gbx s PHE 147 N 0.86 2.63 -0.01 3.97 0.08 -0.09 -1.69 117.98 123.74 2gbx s PHE 147 Ca 0.25 -0.49 -0.02 0.00 0.12 0.00 0.00 56.93 56.78 2gbx s PHE 147 Cb -0.15 -1.77 -0.00 0.00 -0.57 0.00 0.00 43.02 40.52 2gbx s PHE 147 CO 0.10 0.28 0.04 0.20 -0.10 0.00 0.00 175.22 175.74 2gbx s GLY 148 N -3.85 0.04 0.01 4.36 0.00 0.77 -3.05 107.32 105.60 2gbx s GLY 148 Ca 0.39 -0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.99 2gbx s GLY 148 CO 0.22 -0.12 0.08 0.00 0.00 0.00 0.00 173.10 173.28 2gbx n HIS 150 N 1.37 0.00 -2.47 0.00 8.25 -1.26 -1.65 115.22 119.46 2gbx n HIS 150 Ca -0.22 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.81 2gbx n HIS 150 Cb 0.56 -0.72 -0.03 0.00 1.12 0.00 0.00 29.99 30.92 2gbx n HIS 150 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2gbx s ASP 151 N -5.04 7.11 0.20 0.41 -1.08 -1.06 -4.93 116.67 112.28 2gbx s ASP 151 Ca -0.12 1.92 0.05 0.00 -0.52 0.00 0.00 52.55 53.88 2gbx s ASP 151 Cb 0.05 -2.57 0.12 0.00 -1.46 0.00 0.00 42.92 39.06 2gbx s ASP 151 CO 0.55 -0.47 1.47 1.55 0.52 0.00 0.00 175.17 178.79 2gbx h PRO 152 N 6.97 0.14 -0.00 4.34 0.13 -1.94 -3.25 132.00 138.39 2gbx h PRO 152 Ca -0.40 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2gbx h PRO 152 Cb 1.20 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2gbx h PRO 152 CO 0.82 0.84 -0.02 0.39 -0.23 0.00 0.00 178.00 179.80 2gbx n GLU 153 N -3.72 0.96 -1.43 0.86 1.02 -1.26 -4.90 120.64 112.17 2gbx n GLU 153 Ca -0.02 -0.18 -0.32 0.00 -0.02 0.00 0.00 57.16 56.61 2gbx n GLU 153 Cb 0.73 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.73 2gbx n GLU 153 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gbx s ALA 154 N -2.17 2.24 1.03 0.62 0.00 -1.23 -4.86 121.76 117.39 2gbx s ALA 154 Ca 0.40 0.50 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 2gbx s ALA 154 Cb 0.21 -3.34 0.10 0.00 0.00 0.00 0.00 23.12 20.10 2gbx s ALA 154 CO 0.40 -1.69 0.52 -0.35 0.00 0.00 0.00 175.76 174.64 2gbx n PRO 155 N -3.03 -0.94 -1.61 0.00 -0.04 -1.26 -5.06 135.00 123.05 2gbx n PRO 155 Ca 0.10 -0.81 -0.29 0.00 -0.04 0.00 0.00 63.50 62.46 2gbx n PRO 155 Cb 0.52 -0.60 0.11 0.00 -0.04 0.00 0.00 33.50 33.49 2gbx n PRO 155 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2gbx s SER 156 N -2.93 4.06 0.26 3.54 1.04 -1.26 -4.87 113.70 113.53 2gbx s SER 156 Ca 0.31 1.06 -0.00 0.00 0.48 0.00 0.00 55.95 57.79 2gbx s SER 156 Cb -0.01 -1.68 0.34 0.00 0.10 0.00 0.00 66.02 64.76 2gbx s SER 156 CO 0.22 -2.22 1.71 0.25 0.98 0.00 0.00 173.24 174.19 2gbx h LEU 157 N -1.26 0.63 -0.50 2.42 5.85 -1.96 -1.07 115.31 119.42 2gbx h LEU 157 Ca -0.49 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 57.91 2gbx h LEU 157 Cb 1.31 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2gbx h LEU 157 CO 0.62 0.81 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.98 2gbx h GLU 158 N 0.57 0.99 -0.19 1.25 5.08 -1.94 -2.24 114.58 118.10 2gbx h GLU 158 Ca 0.09 -0.42 -0.13 0.00 -1.00 0.00 0.00 59.36 57.90 2gbx h GLU 158 Cb 0.61 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2gbx h GLU 158 CO 0.04 1.10 -0.45 -0.44 -1.00 0.00 0.00 179.01 178.26 2gbx h ASP 159 N 0.85 0.50 -0.59 1.42 3.32 -1.90 0.25 116.42 120.27 2gbx h ASP 159 Ca 0.11 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 2gbx h ASP 159 Cb 0.80 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2gbx h ASP 159 CO 0.07 0.88 0.06 0.22 -1.72 0.00 0.00 179.24 178.75 2gbx h TYR 160 N 0.38 1.08 0.18 4.55 3.20 -1.10 -3.14 116.97 122.12 2gbx h TYR 160 Ca 0.03 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 2gbx h TYR 160 Cb 0.94 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.92 2gbx h TYR 160 CO 0.03 0.94 -0.09 -0.07 -1.64 0.00 0.00 178.16 177.34 2gbx h LEU 161 N 0.90 -0.21 0.00 2.82 3.38 -1.37 -3.43 115.31 117.41 2gbx h LEU 161 Ca 0.18 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2gbx h LEU 161 Cb 0.47 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2gbx h LEU 161 CO 0.02 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.46 2gbx n GLY 162 N 0.37 2.68 0.24 0.83 0.00 0.87 -2.29 105.19 107.90 2gbx n GLY 162 Ca -0.08 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.10 2gbx n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gbx h GLU 163 N 0.00 0.00 0.00 1.61 5.08 -1.88 -2.85 114.58 116.54 2gbx h GLU 163 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2gbx h GLU 163 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2gbx h GLU 163 CO 0.00 0.14 -0.09 0.35 -1.00 0.00 0.00 179.01 178.41 2gbx h PHE 164 N 0.00 0.00 -0.33 4.33 3.57 -1.84 -2.97 116.94 119.71 2gbx h PHE 164 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2gbx h PHE 164 Cb 0.29 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2gbx h PHE 164 CO 0.00 0.09 0.08 0.00 -2.23 0.00 0.00 178.31 176.25 2gbx h ARG 165 N 0.00 0.47 -0.83 1.11 3.08 -1.69 -1.73 114.38 114.79 2gbx h ARG 165 Ca -0.00 -0.07 0.20 0.00 0.07 0.00 0.00 59.98 60.18 2gbx h ARG 165 Cb 0.48 -0.08 -0.12 0.00 0.08 0.00 0.00 29.97 30.32 2gbx h ARG 165 CO 0.01 0.43 0.27 -0.92 -1.07 0.00 0.00 179.97 178.69 2gbx h TYR 166 N 0.46 0.43 0.00 3.04 3.20 -1.72 0.91 116.97 123.30 2gbx h TYR 166 Ca 0.11 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2gbx h TYR 166 Cb 0.17 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2gbx h TYR 166 CO 0.01 -0.09 -0.11 1.88 -1.64 0.00 0.00 178.16 178.21 2gbx h TYR 167 N 0.31 0.10 -0.95 -3.82 0.05 -1.57 -3.34 116.97 107.76 2gbx h TYR 167 Ca 0.50 -0.06 0.13 0.00 0.05 0.00 0.00 58.73 59.35 2gbx h TYR 167 Cb 0.91 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 38.56 2gbx h TYR 167 CO -0.22 0.87 0.61 -0.07 -1.05 0.00 0.00 178.16 178.30 2gbx h LEU 168 N -0.70 0.82 -2.41 3.88 3.38 -0.83 -0.62 115.31 118.83 2gbx h LEU 168 Ca -0.01 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2gbx h LEU 168 Cb 0.91 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2gbx h LEU 168 CO 0.02 0.43 -0.02 0.44 0.09 0.00 0.00 178.44 179.40 2gbx h ASP 169 N 0.88 0.00 -0.87 -0.43 5.19 -0.95 0.52 116.42 120.75 2gbx h ASP 169 Ca 0.47 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.87 2gbx h ASP 169 Cb 0.57 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.04 2gbx h ASP 169 CO -0.24 0.02 0.50 0.74 -3.12 0.00 0.00 179.24 177.14 2gbx h THR 170 N 0.00 1.25 0.00 0.35 2.02 -1.23 -1.61 112.91 113.68 2gbx h THR 170 Ca -0.00 -0.57 -0.19 0.00 0.77 0.00 0.00 66.41 66.42 2gbx h THR 170 Cb 0.05 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.46 2gbx h THR 170 CO 0.00 0.27 -1.71 2.30 0.37 0.00 0.00 175.52 176.75 2gbx n ILE 171 N -4.35 0.72 0.59 3.11 -5.35 -0.79 -3.26 119.36 110.02 2gbx n ILE 171 Ca 0.09 -0.27 0.11 0.00 -0.27 0.00 0.00 62.75 62.42 2gbx n ILE 171 Cb 0.08 -1.00 0.45 0.00 -1.74 0.00 0.00 39.64 37.43 2gbx n ILE 171 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 2gbx n TRP 172 N -2.92 0.46 0.05 4.28 7.02 0.17 -4.08 117.44 122.42 2gbx n TRP 172 Ca -0.22 0.16 0.00 0.00 -1.02 0.00 0.00 57.50 56.41 2gbx n TRP 172 Cb 0.73 -0.76 0.00 0.00 -2.42 0.00 0.00 31.31 28.86 2gbx n TRP 172 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2gbx n GLU 173 N -1.90 0.00 0.00 -0.99 2.13 -1.17 -3.82 120.64 114.90 2gbx n GLU 173 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2gbx n GLU 173 Cb 0.28 -0.44 0.00 0.00 0.27 0.00 0.00 31.44 31.55 2gbx n GLU 173 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gbx n GLY 174 N 3.37 4.18 0.26 8.31 0.00 -0.62 -1.86 105.19 118.82 2gbx n GLY 174 Ca 0.00 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2gbx n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gbx h ALA 175 N -0.93 1.03 0.00 4.61 0.00 -1.84 -3.44 119.26 118.68 2gbx h ALA 175 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2gbx h ALA 175 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2gbx h ALA 175 CO 0.00 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.78 2gbx n GLY 176 N 0.03 1.81 0.07 0.00 0.00 -0.80 -4.92 105.19 101.38 2gbx n GLY 176 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 2gbx n GLY 176 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2gbx h GLY 177 N 0.00 0.09 0.00 -0.02 0.00 -1.89 -3.49 103.07 97.75 2gbx h GLY 177 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2gbx h GLY 177 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 176.54 177.21 2gbx n GLY 178 N -0.12 -0.63 3.19 4.60 0.00 -0.78 -4.54 105.19 106.91 2gbx n GLY 178 Ca -0.07 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 2gbx n GLY 178 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2gbx s MET 179 N 0.00 1.05 0.06 1.61 -1.94 -1.25 -2.76 119.30 116.07 2gbx s MET 179 Ca 0.00 -1.48 -0.17 0.00 -1.71 0.00 0.00 55.69 52.33 2gbx s MET 179 Cb 0.00 0.27 0.03 0.00 2.01 0.00 0.00 34.83 37.14 2gbx s MET 179 CO 0.00 -0.33 0.39 -1.83 -0.01 0.00 0.00 175.02 173.24 2gbx s GLU 180 N -4.08 0.93 0.23 2.03 -1.05 0.15 -4.76 118.70 112.15 2gbx s GLU 180 Ca 0.29 -0.47 -0.11 0.00 -0.15 0.00 0.00 54.97 54.53 2gbx s GLU 180 Cb 0.07 0.41 -0.07 0.00 -0.44 0.00 0.00 34.13 34.10 2gbx s GLU 180 CO 0.05 -0.33 0.57 -0.51 0.95 0.00 0.00 175.26 176.00 2gbx s LEU 181 N -2.20 4.17 -0.22 1.83 1.43 -1.26 -0.87 118.68 121.55 2gbx s LEU 181 Ca -0.03 0.98 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 2gbx s LEU 181 Cb -0.00 -3.70 0.04 0.00 0.03 0.00 0.00 46.19 42.56 2gbx s LEU 181 CO -0.05 -0.07 -0.15 -0.76 0.23 0.00 0.00 176.35 175.55 2gbx s LEU 182 N -2.76 2.85 0.61 1.79 1.43 -0.14 -4.54 118.68 117.92 2gbx s LEU 182 Ca 0.47 -1.06 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 2gbx s LEU 182 Cb -0.11 -1.51 0.09 0.00 0.03 0.00 0.00 46.19 44.69 2gbx s LEU 182 CO 0.20 -0.11 0.84 -0.83 0.23 0.00 0.00 176.35 176.69 2gbx s GLY 183 N 1.19 1.77 0.55 -3.19 0.00 -1.26 -3.53 107.32 102.85 2gbx s GLY 183 Ca -0.03 -1.89 -0.16 0.00 0.00 0.00 0.00 44.72 42.65 2gbx s GLY 183 CO -0.09 -1.43 1.01 2.56 0.00 0.00 0.00 173.10 175.16 2gbx s PRO 184 N -4.82 3.71 0.83 2.90 0.04 -1.26 -5.08 135.00 131.32 2gbx s PRO 184 Ca 0.62 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 2gbx s PRO 184 Cb -0.06 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.47 2gbx s PRO 184 CO 0.40 -0.47 1.12 -1.25 0.04 0.00 0.00 177.00 176.84 2gbx s PRO 185 N -4.21 1.83 -0.41 0.56 0.04 -1.26 -4.96 135.00 126.58 2gbx s PRO 185 Ca 0.60 0.44 -0.14 0.00 0.04 0.00 0.00 61.00 61.94 2gbx s PRO 185 Cb -0.12 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.55 2gbx s PRO 185 CO 0.36 -1.76 0.29 -1.64 0.04 0.00 0.00 177.00 174.29 2gbx s MET 186 N -5.26 2.91 -0.07 4.56 -1.94 -0.69 -4.89 119.30 113.92 2gbx s MET 186 Ca 0.62 -1.11 -0.14 0.00 -1.71 0.00 0.00 55.69 53.36 2gbx s MET 186 Cb -0.14 -3.93 -0.05 0.00 2.01 0.00 0.00 34.83 32.72 2gbx s MET 186 CO 0.53 -0.79 0.34 0.15 -0.01 0.00 0.00 175.02 175.25 2gbx s LYS 187 N 1.63 3.97 -0.27 2.03 1.02 -1.26 -2.11 119.74 124.75 2gbx s LYS 187 Ca 0.04 0.25 -0.25 0.00 0.02 0.00 0.00 55.97 56.02 2gbx s LYS 187 Cb -0.20 -3.29 0.09 0.00 -0.52 0.00 0.00 37.83 33.91 2gbx s LYS 187 CO 0.08 0.53 0.82 -1.54 -0.92 0.00 0.00 175.35 174.33 2gbx s SER 188 N -0.49 -0.65 0.10 2.83 1.04 -1.08 -5.00 113.70 110.46 2gbx s SER 188 Ca 0.21 1.24 -0.24 0.00 0.48 0.00 0.00 55.95 57.64 2gbx s SER 188 Cb -0.15 1.25 -0.07 0.00 0.10 0.00 0.00 66.02 67.16 2gbx s SER 188 CO 0.09 -0.22 0.72 -0.76 0.98 0.00 0.00 173.24 174.05 2gbx s LEU 189 N 0.30 4.53 -0.09 2.42 1.43 -1.26 -1.01 118.68 124.99 2gbx s LEU 189 Ca 0.01 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 2gbx s LEU 189 Cb -0.05 -3.18 0.02 0.00 0.03 0.00 0.00 46.19 43.02 2gbx s LEU 189 CO -0.01 0.16 -0.06 -0.22 0.23 0.00 0.00 176.35 176.44 2gbx s LEU 190 N -0.77 1.16 -1.18 1.79 2.96 -0.62 -4.97 118.68 117.04 2gbx s LEU 190 Ca 0.35 -0.24 -0.18 0.00 -0.22 0.00 0.00 54.13 53.84 2gbx s LEU 190 Cb -0.21 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 2gbx s LEU 190 CO 0.23 -0.10 2.00 0.00 -1.32 0.00 0.00 176.35 177.16 2gbx n GLN 191 N 4.69 2.34 -3.75 1.98 1.13 -1.26 -1.50 117.38 121.01 2gbx n GLN 191 Ca -0.15 -2.50 -0.09 0.00 -1.94 0.00 0.00 57.00 52.33 2gbx n GLN 191 Cb 0.50 -3.29 -0.03 0.00 0.11 0.00 0.00 30.24 27.53 2gbx n GLN 191 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2gbx s ASN 193 N -2.88 6.44 0.56 0.00 3.84 -1.24 -1.73 114.94 119.93 2gbx s ASN 193 Ca 0.10 1.99 0.34 0.00 0.21 0.00 0.00 52.86 55.49 2gbx s ASN 193 Cb -0.02 -2.57 1.56 0.00 -0.55 0.00 0.00 41.25 39.66 2gbx s ASN 193 CO -0.00 -0.71 2.06 4.11 -2.79 0.00 0.00 177.10 179.77 2gbx h TRP 194 N 1.85 0.00 0.00 0.43 5.08 -1.85 -3.00 115.95 118.47 2gbx h TRP 194 Ca -0.49 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.44 2gbx h TRP 194 Cb 1.22 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.38 2gbx h TRP 194 CO 0.57 0.04 -0.18 0.87 -1.28 0.00 0.00 178.44 178.47 2gbx h LYS 195 N 0.00 0.00 -0.08 0.12 1.57 -1.96 -3.03 116.57 113.19 2gbx h LYS 195 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2gbx h LYS 195 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2gbx h LYS 195 CO 0.01 0.18 -0.21 0.28 -0.57 0.00 0.00 179.45 179.13 2gbx h VAL 196 N 0.00 1.41 -0.35 0.50 2.07 -1.90 0.13 116.25 118.10 2gbx h VAL 196 Ca -0.00 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 2gbx h VAL 196 Cb 1.02 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 2gbx h VAL 196 CO 0.02 0.44 0.05 -0.65 0.02 0.00 0.00 177.57 177.46 2gbx h PRO 197 N -0.18 0.53 0.07 1.57 0.11 -1.74 -2.34 132.00 130.02 2gbx h PRO 197 Ca -0.00 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 2gbx h PRO 197 Cb 0.82 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2gbx h PRO 197 CO 0.05 0.52 -0.03 0.00 -0.21 0.00 0.00 178.00 178.32 2gbx h ALA 198 N 1.55 -0.09 -0.05 -0.75 0.00 -1.36 -2.02 119.26 116.53 2gbx h ALA 198 Ca 0.12 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2gbx h ALA 198 Cb 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2gbx h ALA 198 CO 0.00 -0.50 -0.41 1.05 0.00 0.00 0.00 179.25 179.40 2gbx h GLU 199 N -0.19 0.11 0.26 0.00 4.11 -0.79 -2.57 114.58 115.50 2gbx h GLU 199 Ca -0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2gbx h GLU 199 Cb 0.16 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2gbx h GLU 199 CO 0.02 0.50 -0.12 -0.97 0.07 0.00 0.00 179.01 178.50 2gbx h ASN 200 N 0.09 -0.29 0.96 3.06 -0.00 -1.24 -3.13 115.58 115.04 2gbx h ASN 200 Ca 0.01 -0.12 0.00 0.00 -0.00 0.00 0.00 56.30 56.19 2gbx h ASN 200 Cb 0.76 0.08 0.00 0.00 -0.00 0.00 0.00 38.32 39.16 2gbx h ASN 200 CO 0.06 -0.05 0.00 0.49 -0.00 0.00 0.00 177.43 177.92 2gbx n PHE 201 N -5.16 0.33 0.06 0.67 3.72 -0.78 -1.65 117.46 114.66 2gbx n PHE 201 Ca -0.10 0.11 -0.08 0.00 -0.05 0.00 0.00 57.45 57.33 2gbx n PHE 201 Cb 0.21 -0.68 -0.12 0.00 -0.94 0.00 0.00 39.48 37.95 2gbx n PHE 201 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 2gbx h ILE 202 N 0.00 1.67 0.00 4.37 2.10 -1.40 -2.81 117.51 121.43 2gbx h ILE 202 Ca 0.00 -3.36 0.00 0.00 1.08 0.00 0.00 64.86 62.58 2gbx h ILE 202 Cb 0.48 2.85 0.00 0.00 -1.09 0.00 0.00 36.82 39.06 2gbx h ILE 202 CO 0.00 0.96 0.00 0.61 -1.08 0.00 0.00 178.15 178.64 2gbx n GLY 203 N 1.38 0.00 2.76 8.18 0.00 -1.21 -3.54 105.19 112.76 2gbx n GLY 203 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2gbx n GLY 203 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gbx n ASP 204 N 0.00 5.85 0.16 1.61 -0.08 -0.66 -4.43 116.55 119.00 2gbx n ASP 204 Ca 0.00 -3.59 0.13 0.00 -1.51 0.00 0.00 54.79 49.83 2gbx n ASP 204 Cb 0.00 -0.96 0.47 0.00 2.34 0.00 0.00 41.12 42.98 2gbx n ASP 204 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2gbx h GLY 205 N 4.18 0.00 1.72 0.27 0.00 -1.85 -3.25 103.07 104.14 2gbx h GLY 205 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.55 2gbx h GLY 205 CO 1.07 0.00 -0.24 -1.82 0.00 0.00 0.00 176.54 175.55 2gbx h TYR 206 N 0.00 0.36 0.00 5.60 3.20 -1.84 -2.93 116.97 121.36 2gbx h TYR 206 Ca 0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2gbx h TYR 206 Cb 0.56 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2gbx h TYR 206 CO 0.00 0.55 -0.33 1.12 -1.64 0.00 0.00 178.16 177.86 2gbx h HIS 207 N 0.29 0.00 -0.52 -3.82 2.07 -1.96 -3.38 115.15 107.83 2gbx h HIS 207 Ca 0.05 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.57 2gbx h HIS 207 Cb 0.59 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.54 2gbx h HIS 207 CO 0.01 0.00 0.32 0.28 -3.07 0.00 0.00 177.93 175.47 2gbx h VAL 208 N 0.00 1.16 -0.40 6.12 2.07 -1.64 0.39 116.25 123.94 2gbx h VAL 208 Ca 0.00 -0.35 -0.15 0.00 0.82 0.00 0.00 66.70 67.02 2gbx h VAL 208 Cb 0.89 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2gbx h VAL 208 CO 0.00 0.16 -0.33 1.23 0.02 0.00 0.00 177.57 178.65 2gbx h GLY 209 N 0.70 1.00 0.09 2.17 0.00 -1.73 -2.48 103.07 102.82 2gbx h GLY 209 Ca 0.19 -0.97 -0.00 0.00 0.00 0.00 0.00 47.33 46.54 2gbx h GLY 209 CO -0.04 0.88 -0.01 -0.25 0.00 0.00 0.00 176.54 177.12 2gbx h TRP 210 N 0.76 -0.03 -0.03 5.60 2.91 -1.68 -1.09 115.95 122.39 2gbx h TRP 210 Ca 0.07 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.05 2gbx h TRP 210 Cb 0.91 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.58 2gbx h TRP 210 CO 0.06 0.63 -0.13 1.15 -1.03 0.00 0.00 178.44 179.12 2gbx h THR 211 N -0.94 1.48 -1.38 2.65 2.02 -0.37 -3.32 112.91 113.04 2gbx h THR 211 Ca -0.00 -1.60 -0.71 0.00 0.77 0.00 0.00 66.41 64.87 2gbx h THR 211 Cb 0.68 2.45 -0.29 0.00 -1.74 0.00 0.00 68.15 69.25 2gbx h THR 211 CO 0.01 0.44 0.88 1.41 0.37 0.00 0.00 175.52 178.62 2gbx n HIS 212 N -4.63 3.13 0.04 3.16 8.25 -0.93 -4.58 115.22 119.66 2gbx n HIS 212 Ca -0.09 -2.75 -0.10 0.00 -0.26 0.00 0.00 57.72 54.52 2gbx n HIS 212 Cb 0.40 -1.30 0.02 0.00 1.12 0.00 0.00 29.99 30.22 2gbx n HIS 212 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gbx h ALA 213 N 2.39 0.57 -0.21 -1.41 0.00 -1.66 -2.49 119.26 116.46 2gbx h ALA 213 Ca 0.58 -0.60 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2gbx h ALA 213 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2gbx h ALA 213 CO 1.50 0.75 -0.52 0.00 0.00 0.00 0.00 179.25 180.99 2gbx h ALA 214 N 0.90 0.34 -0.15 0.00 0.00 -1.89 -2.74 119.26 115.73 2gbx h ALA 214 Ca -0.03 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 2gbx h ALA 214 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2gbx h ALA 214 CO 0.13 0.53 -0.30 0.00 0.00 0.00 0.00 179.25 179.61 2gbx h ALA 215 N 0.60 0.24 -0.41 0.00 0.00 -1.88 -3.01 119.26 114.80 2gbx h ALA 215 Ca -0.01 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 2gbx h ALA 215 Cb 1.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2gbx h ALA 215 CO 0.11 0.26 -0.31 -0.07 0.00 0.00 0.00 179.25 179.24 2gbx h LEU 216 N 0.09 0.99 -1.30 0.00 3.38 -1.55 -2.55 115.31 114.36 2gbx h LEU 216 Ca 0.00 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 2gbx h LEU 216 Cb 0.89 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2gbx h LEU 216 CO 0.07 1.22 -0.18 0.77 0.09 0.00 0.00 178.44 180.41 2gbx h SER 217 N 0.77 0.24 -0.05 -0.43 4.64 -1.58 -1.32 113.55 115.82 2gbx h SER 217 Ca 0.08 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 2gbx h SER 217 Cb 0.90 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2gbx h SER 217 CO 0.08 0.44 -0.09 -0.61 -0.87 0.00 0.00 176.83 175.79 2gbx h GLN 218 N 0.23 0.15 -0.66 4.77 4.15 -1.44 -3.29 115.11 119.02 2gbx h GLN 218 Ca 0.04 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 2gbx h GLN 218 Cb 0.46 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 2gbx h GLN 218 CO 0.03 0.66 0.28 0.82 -1.93 0.00 0.00 178.83 178.69 2gbx h ILE 219 N -0.34 1.24 0.00 2.39 2.04 -1.35 -3.48 117.51 117.99 2gbx h ILE 219 Ca 0.00 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2gbx h ILE 219 Cb 0.65 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2gbx h ILE 219 CO 0.02 0.29 0.00 0.61 0.00 0.00 0.00 178.15 179.07 2gbx n GLY 220 N -0.88 0.24 7.00 5.37 0.00 -0.51 -5.02 105.19 111.39 2gbx n GLY 220 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2gbx n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbx n GLY 221 N 0.00 0.90 0.14 -0.02 0.00 -1.26 -3.33 105.19 101.62 2gbx n GLY 221 Ca 0.00 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 2gbx n GLY 221 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gbx h GLU 222 N 0.00 0.32 -0.01 1.61 3.07 -1.95 -3.37 114.58 114.25 2gbx h GLU 222 Ca 0.00 -0.55 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 2gbx h GLU 222 Cb 0.00 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2gbx h GLU 222 CO 0.00 1.25 0.00 1.28 -1.40 0.00 0.00 179.01 180.14 2gbx n LEU 223 N -3.52 0.22 0.25 1.33 4.77 -1.26 -3.67 117.00 115.12 2gbx n LEU 223 Ca -0.28 -0.08 0.13 0.00 -0.03 0.00 0.00 56.01 55.75 2gbx n LEU 223 Cb 1.06 -0.00 0.59 0.00 -2.33 0.00 0.00 43.42 42.74 2gbx n LEU 223 CO 0.47 0.04 0.90 0.00 -1.33 0.00 0.00 177.39 177.46 2gbx h ALA 224 N 3.97 1.05 0.00 -1.18 0.00 -1.71 -3.12 119.26 118.26 2gbx h ALA 224 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2gbx h ALA 224 Cb 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2gbx h ALA 224 CO 0.00 0.17 -0.07 0.78 0.00 0.00 0.00 179.25 180.13 2gbx h GLY 225 N 1.83 0.00 2.00 0.00 0.00 -1.85 -2.92 103.07 102.13 2gbx h GLY 225 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2gbx h GLY 225 CO 0.02 0.00 -0.19 1.41 0.00 0.00 0.00 176.54 177.77 2gbx h LEU 226 N 0.00 0.00 -8.51 3.11 3.38 -1.84 -3.44 115.31 108.02 2gbx h LEU 226 Ca -0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 2gbx h LEU 226 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2gbx h LEU 226 CO 0.01 0.19 1.36 0.00 0.09 0.00 0.00 178.44 180.10 2gbx n ALA 227 N -2.22 0.85 -0.01 1.53 0.00 -1.10 -0.34 120.51 119.22 2gbx n ALA 227 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2gbx n ALA 227 Cb 0.40 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.40 2gbx n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbx n GLY 228 N 6.51 0.49 3.46 0.00 0.00 -0.42 -4.56 105.19 110.68 2gbx n GLY 228 Ca 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 2gbx n GLY 228 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gbx n ASN 229 N 0.00 -6.19 -4.80 1.61 3.02 0.53 -4.80 115.26 104.63 2gbx n ASN 229 Ca 0.00 -0.64 -0.36 0.00 -0.03 0.00 0.00 54.58 53.54 2gbx n ASN 229 Cb 0.00 -3.75 -0.06 0.00 -0.61 0.00 0.00 39.78 35.36 2gbx n ASN 229 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2gbx s ARG 230 N -4.52 4.38 0.48 3.52 0.52 -1.26 -4.98 118.95 117.09 2gbx s ARG 230 Ca 0.18 1.05 0.28 0.00 -0.52 0.00 0.00 55.73 56.72 2gbx s ARG 230 Cb -0.06 -2.83 0.99 0.00 0.52 0.00 0.00 34.95 33.57 2gbx s ARG 230 CO 0.82 0.34 1.84 0.00 0.02 0.00 0.00 175.30 178.32 2gbx h ALA 231 N 3.28 0.99 -0.96 2.13 0.00 -1.99 -3.32 119.26 119.38 2gbx h ALA 231 Ca -0.47 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.43 2gbx h ALA 231 Cb 1.19 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2gbx h ALA 231 CO 0.65 0.12 0.61 0.38 0.00 0.00 0.00 179.25 181.01 2gbx h ASP 232 N 0.00 0.94 -4.04 0.00 2.03 -2.01 -3.44 116.42 109.91 2gbx h ASP 232 Ca -0.00 0.02 -0.44 0.00 -0.73 0.00 0.00 57.03 55.88 2gbx h ASP 232 Cb 0.71 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 39.02 2gbx h ASP 232 CO 0.01 0.57 0.34 0.27 -1.03 0.00 0.00 179.24 179.41 2gbx s ILE 233 N -6.02 4.35 -0.70 4.15 -4.36 -1.25 -5.00 121.20 112.36 2gbx s ILE 233 Ca -0.12 1.52 -0.23 0.00 -0.26 0.00 0.00 60.65 61.56 2gbx s ILE 233 Cb 0.20 -3.65 0.07 0.00 1.25 0.00 0.00 42.46 40.34 2gbx s ILE 233 CO 0.81 -0.26 1.01 -2.16 0.24 0.00 0.00 174.94 174.58 2gbx s PRO 234 N -3.05 3.17 0.40 0.37 0.04 -1.26 -4.89 135.00 129.78 2gbx s PRO 234 Ca 0.61 -0.88 0.21 0.00 0.04 0.00 0.00 61.00 60.97 2gbx s PRO 234 Cb -0.10 -4.32 0.76 0.00 0.04 0.00 0.00 34.50 30.88 2gbx s PRO 234 CO 0.14 -1.85 1.76 0.74 0.04 0.00 0.00 177.00 177.84 2gbx h PHE 235 N 9.54 0.00 -0.39 0.56 0.04 -1.94 -3.13 116.94 121.61 2gbx h PHE 235 Ca -0.23 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.43 2gbx h PHE 235 Cb 1.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 2gbx h PHE 235 CO 1.01 0.32 -0.15 -0.44 -0.60 0.00 0.00 178.31 178.44 2gbx h ASP 236 N 0.00 0.82 1.05 2.17 5.19 -1.86 -3.04 116.42 120.76 2gbx h ASP 236 Ca -0.00 -0.39 -0.08 0.00 -0.62 0.00 0.00 57.03 55.93 2gbx h ASP 236 Cb 0.85 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 2gbx h ASP 236 CO 0.04 1.02 -0.40 0.44 -3.12 0.00 0.00 179.24 177.22 2gbx h ASP 237 N 0.61 0.00 1.32 6.45 3.32 -1.81 -3.28 116.42 123.03 2gbx h ASP 237 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2gbx h ASP 237 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2gbx h ASP 237 CO 0.05 0.40 0.00 -0.07 -1.72 0.00 0.00 179.24 177.90 2gbx h LEU 238 N 0.00 0.00 0.00 1.55 4.07 -1.48 -3.48 115.31 115.97 2gbx h LEU 238 Ca -0.00 0.00 0.29 0.00 0.08 0.00 0.00 57.88 58.24 2gbx h LEU 238 Cb 1.04 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.72 2gbx h LEU 238 CO 0.05 0.00 0.77 0.61 -1.08 0.00 0.00 178.44 178.79 2gbx n GLY 239 N 0.61 0.31 3.31 0.83 0.00 -1.22 -1.30 105.19 107.73 2gbx n GLY 239 Ca 0.03 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 2gbx n GLY 239 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbx s LEU 240 N 0.00 1.61 -0.03 0.99 1.43 -1.11 -4.00 118.68 117.57 2gbx s LEU 240 Ca 0.26 -1.57 -0.02 0.00 -1.03 0.00 0.00 54.13 51.78 2gbx s LEU 240 Cb -0.01 0.28 0.02 0.00 0.03 0.00 0.00 46.19 46.51 2gbx s LEU 240 CO 0.00 -0.91 0.07 -1.58 0.23 0.00 0.00 176.35 174.17 2gbx s GLN 241 N -3.81 0.04 0.13 1.70 0.74 -1.12 -0.92 119.66 116.42 2gbx s GLN 241 Ca 0.37 0.21 0.10 0.00 0.05 0.00 0.00 55.36 56.09 2gbx s GLN 241 Cb 0.05 -0.13 -0.04 0.00 1.10 0.00 0.00 33.01 33.99 2gbx s GLN 241 CO 0.18 -0.11 -0.25 -0.06 -0.55 0.00 0.00 175.29 174.50 2gbx s PHE 242 N 0.75 2.20 0.10 1.67 0.08 0.50 0.15 117.98 123.43 2gbx s PHE 242 Ca -0.06 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.56 2gbx s PHE 242 Cb -0.08 -1.18 -0.03 0.00 -0.57 0.00 0.00 43.02 41.16 2gbx s PHE 242 CO -0.03 0.34 0.09 -0.08 -0.10 0.00 0.00 175.22 175.44 2gbx s THR 243 N -1.18 0.15 0.29 0.64 -1.32 -0.12 -1.22 115.64 112.88 2gbx s THR 243 Ca 0.14 -1.62 0.03 0.00 -1.21 0.00 0.00 61.69 59.02 2gbx s THR 243 Cb -0.10 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.21 2gbx s THR 243 CO 0.06 -0.68 0.18 0.42 -2.21 0.00 0.00 174.62 172.39 2gbx s THR 244 N -3.94 0.19 0.16 5.08 -4.23 0.17 -1.79 115.64 111.28 2gbx s THR 244 Ca 0.12 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.42 2gbx s THR 244 Cb 0.06 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 71.47 2gbx s THR 244 CO -0.06 0.00 1.62 -0.09 -0.54 0.00 0.00 174.62 175.55 2gbx h ARG 245 N 2.27 -0.21 -0.94 3.99 1.12 -1.91 -2.44 114.38 116.27 2gbx h ARG 245 Ca -0.32 0.01 -0.32 0.00 -1.11 0.00 0.00 59.98 58.24 2gbx h ARG 245 Cb 1.25 0.05 -0.19 0.00 -0.01 0.00 0.00 29.97 31.06 2gbx h ARG 245 CO 0.49 -0.14 0.41 0.72 -3.11 0.00 0.00 179.97 178.34 2gbx n HIS 246 N -5.40 2.22 -0.55 2.20 8.25 -1.26 -4.81 115.22 115.87 2gbx n HIS 246 Ca 0.01 -1.35 0.00 0.00 -0.26 0.00 0.00 57.72 56.12 2gbx n HIS 246 Cb 0.31 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.71 2gbx n HIS 246 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gbx n GLY 247 N -0.53 0.74 3.72 -1.41 0.00 -0.92 -4.63 105.19 102.16 2gbx n GLY 247 Ca 0.41 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 2gbx n GLY 247 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gbx s HIS 248 N -2.35 3.68 0.14 1.61 3.76 -1.26 -4.50 115.29 116.38 2gbx s HIS 248 Ca 0.00 1.67 -0.24 0.00 -0.15 0.00 0.00 55.06 56.34 2gbx s HIS 248 Cb 0.00 -3.16 0.07 0.00 1.11 0.00 0.00 32.58 30.60 2gbx s HIS 248 CO 0.00 -0.19 0.66 0.20 -0.85 0.00 0.00 174.74 174.56 2gbx s GLY 249 N 0.39 -0.57 -0.05 -2.22 0.00 -1.20 -0.66 107.32 103.02 2gbx s GLY 249 Ca 0.50 0.53 -0.29 0.00 0.00 0.00 0.00 44.72 45.46 2gbx s GLY 249 CO 0.30 0.17 0.79 -0.11 0.00 0.00 0.00 173.10 174.25 2gbx s PHE 250 N -3.65 -0.52 0.21 1.90 -0.71 -0.36 -2.36 117.98 112.48 2gbx s PHE 250 Ca 0.02 0.76 0.05 0.00 -1.04 0.00 0.00 56.93 56.71 2gbx s PHE 250 Cb -0.01 0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 2gbx s PHE 250 CO -0.11 -0.56 0.29 0.20 -1.34 0.00 0.00 175.22 173.70 2gbx s GLY 251 N -1.55 1.43 -0.02 1.99 0.00 -1.06 -0.37 107.32 107.74 2gbx s GLY 251 Ca -0.05 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.50 2gbx s GLY 251 CO 0.02 -1.21 -0.07 0.14 0.00 0.00 0.00 173.10 171.98 2gbx s VAL 252 N -1.91 0.60 -0.21 1.40 1.01 -0.10 -1.85 120.40 119.34 2gbx s VAL 252 Ca 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 2gbx s VAL 252 Cb -0.10 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.75 2gbx s VAL 252 CO 0.28 0.19 -0.09 -0.63 0.00 0.00 0.00 175.10 174.85 2gbx s ILE 253 N 0.12 2.97 0.15 2.22 1.01 -0.39 -2.74 121.20 124.55 2gbx s ILE 253 Ca -0.01 -0.65 -0.31 0.00 0.00 0.00 0.00 60.65 59.68 2gbx s ILE 253 Cb -0.06 -2.34 -0.08 0.00 0.01 0.00 0.00 42.46 39.98 2gbx s ILE 253 CO -0.00 0.44 1.36 -1.81 0.00 0.00 0.00 174.94 174.93 2gbx s ASP 254 N 1.42 6.85 -1.44 3.58 1.01 -0.42 -0.44 116.67 127.22 2gbx s ASP 254 Ca 0.05 2.37 -0.09 0.00 0.71 0.00 0.00 52.55 55.59 2gbx s ASP 254 Cb -0.14 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.24 2gbx s ASP 254 CO -0.06 -0.60 0.94 0.59 0.21 0.00 0.00 175.17 176.24 2gbx n ASN 255 N 3.35 -3.98 -0.72 0.27 3.02 -1.24 -4.89 115.26 111.06 2gbx n ASN 255 Ca 0.09 -0.75 0.04 0.00 -0.03 0.00 0.00 54.58 53.92 2gbx n ASN 255 Cb 0.42 -4.11 0.06 0.00 -0.61 0.00 0.00 39.78 35.54 2gbx n ASN 255 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gbx n ALA 256 N -4.61 2.35 0.18 5.41 0.00 -1.19 -4.90 120.51 117.75 2gbx n ALA 256 Ca -0.06 -1.94 -0.15 0.00 0.00 0.00 0.00 53.44 51.29 2gbx n ALA 256 Cb 0.57 -0.53 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 2gbx n ALA 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gbx h ALA 257 N 0.40 -0.67 -0.69 0.00 0.00 -1.66 -2.14 119.26 114.50 2gbx h ALA 257 Ca -0.07 -0.09 -0.67 0.00 0.00 0.00 0.00 54.91 54.08 2gbx h ALA 257 Cb 1.43 0.51 -0.17 0.00 0.00 0.00 0.00 17.79 19.56 2gbx h ALA 257 CO 0.03 -0.92 1.52 0.00 0.00 0.00 0.00 179.25 179.88 2gbx n ALA 258 N -2.66 6.60 -0.08 0.00 0.00 -1.26 -3.64 120.51 119.47 2gbx n ALA 258 Ca -0.08 -3.80 -0.11 0.00 0.00 0.00 0.00 53.44 49.45 2gbx n ALA 258 Cb 0.34 -2.46 -0.06 0.00 0.00 0.00 0.00 19.45 17.27 2gbx n ALA 258 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2gbx h GLY 259 N 4.74 0.00 2.00 0.00 0.00 -1.72 -3.38 103.07 104.71 2gbx h GLY 259 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 2gbx h GLY 259 CO 1.24 0.00 0.00 1.41 0.00 0.00 0.00 176.54 179.19 2gbx h LEU 260 N -1.00 0.00 -8.96 3.11 3.38 -1.82 -3.44 115.31 106.58 2gbx h LEU 260 Ca -0.10 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.30 2gbx h LEU 260 Cb 0.73 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2gbx h LEU 260 CO -0.06 0.00 1.18 -1.00 0.09 0.00 0.00 178.44 178.65 2gbx s HIS 261 N -3.31 2.00 0.12 1.13 3.76 -1.26 -4.87 115.29 112.85 2gbx s HIS 261 Ca 0.06 0.57 -0.06 0.00 -0.15 0.00 0.00 55.06 55.48 2gbx s HIS 261 Cb 0.07 -4.07 -0.12 0.00 1.11 0.00 0.00 32.58 29.57 2gbx s HIS 261 CO 0.62 -2.91 1.28 0.97 -0.85 0.00 0.00 174.74 173.85 2gbx h ILE 262 N 6.42 1.39 -3.47 0.60 2.10 -1.91 -3.38 117.51 119.26 2gbx h ILE 262 Ca -0.33 -2.45 -0.75 0.00 1.08 0.00 0.00 64.86 62.41 2gbx h ILE 262 Cb 1.16 2.44 -0.28 0.00 -1.09 0.00 0.00 36.82 39.04 2gbx h ILE 262 CO 1.02 0.73 -0.20 -0.54 -1.08 0.00 0.00 178.15 178.08 2gbx s LYS 263 N -3.25 2.94 -0.15 2.19 1.02 -1.26 -4.91 119.74 116.33 2gbx s LYS 263 Ca -0.06 -2.12 0.15 0.00 0.02 0.00 0.00 55.97 53.95 2gbx s LYS 263 Cb 0.08 -4.12 0.40 0.00 -0.52 0.00 0.00 37.83 33.68 2gbx s LYS 263 CO 0.87 -1.25 1.20 2.89 -0.92 0.00 0.00 175.35 178.15 2gbx n ARG 264 N 4.41 1.19 0.28 1.68 1.85 -1.26 -4.87 116.66 119.93 2gbx n ARG 264 Ca 0.01 -2.90 -0.14 0.00 -1.00 0.00 0.00 57.85 53.82 2gbx n ARG 264 Cb 0.42 -1.24 -0.07 0.00 -1.05 0.00 0.00 32.46 30.51 2gbx n ARG 264 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2gbx h GLU 265 N 0.87 -0.71 -0.05 2.89 4.39 -1.96 -1.73 114.58 118.29 2gbx h GLU 265 Ca -0.05 0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2gbx h GLU 265 Cb 1.20 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 2gbx h GLU 265 CO 0.02 -0.40 -0.57 0.78 -1.16 0.00 0.00 179.01 177.67 2gbx h GLY 266 N -1.05 0.19 1.00 -3.84 0.00 -1.95 -2.63 103.07 94.77 2gbx h GLY 266 Ca -0.07 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 2gbx h GLY 266 CO 0.12 0.20 -0.50 -0.25 0.00 0.00 0.00 176.54 176.11 2gbx h TRP 267 N 0.13 0.87 -0.12 5.60 -0.00 -1.89 -1.68 115.95 118.85 2gbx h TRP 267 Ca -0.00 -0.34 -0.22 0.00 -0.00 0.00 0.00 58.89 58.33 2gbx h TRP 267 Cb 1.05 -0.15 0.01 0.00 -0.00 0.00 0.00 29.16 30.07 2gbx h TRP 267 CO 0.01 1.12 -0.81 1.79 -0.00 0.00 0.00 178.44 180.56 2gbx h THR 268 N 0.37 1.29 -0.49 2.65 1.35 -1.39 -2.82 112.91 113.88 2gbx h THR 268 Ca -0.01 -2.04 -0.04 0.00 -0.55 0.00 0.00 66.41 63.77 2gbx h THR 268 Cb 1.11 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 69.57 2gbx h THR 268 CO 0.11 0.64 0.13 0.50 -0.25 0.00 0.00 175.52 176.65 2gbx h LYS 269 N 0.48 0.74 -0.61 4.72 3.64 -1.51 0.00 116.57 124.02 2gbx h LYS 269 Ca -0.06 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 2gbx h LYS 269 Cb 1.44 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 2gbx h LYS 269 CO 0.16 0.66 0.27 0.35 -2.27 0.00 0.00 179.45 178.61 2gbx h PHE 270 N 0.72 0.91 -0.46 1.91 3.57 -1.29 -1.78 116.94 120.52 2gbx h PHE 270 Ca 0.16 -0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 2gbx h PHE 270 Cb 0.24 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2gbx h PHE 270 CO 0.01 0.71 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.60 2gbx h LEU 271 N 0.85 0.91 -1.28 0.59 3.38 -1.17 -2.03 115.31 116.56 2gbx h LEU 271 Ca 0.21 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 2gbx h LEU 271 Cb 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2gbx h LEU 271 CO -0.02 1.08 -0.25 -0.33 0.09 0.00 0.00 178.44 179.00 2gbx h GLU 272 N 0.74 0.16 0.06 1.13 5.08 -0.90 0.61 114.58 121.47 2gbx h GLU 272 Ca 0.11 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.17 2gbx h GLU 272 Cb 0.69 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.93 2gbx h GLU 272 CO 0.05 0.41 -1.09 -0.44 -1.00 0.00 0.00 179.01 176.94 2gbx h ASP 273 N 0.15 0.57 0.55 1.42 5.19 -1.26 -3.37 116.42 119.68 2gbx h ASP 273 Ca 0.02 -0.51 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2gbx h ASP 273 Cb 0.53 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2gbx h ASP 273 CO 0.04 1.34 -0.99 0.35 -3.12 0.00 0.00 179.24 176.86 2gbx n THR 274 N -3.69 0.24 0.23 0.35 -2.24 -0.77 -4.28 114.28 104.12 2gbx n THR 274 Ca -0.09 -0.29 0.06 0.00 -2.27 0.00 0.00 64.05 61.46 2gbx n THR 274 Cb 0.92 0.08 0.52 0.00 -2.10 0.00 0.00 70.33 69.75 2gbx n THR 274 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2gbx h ARG 275 N 0.00 0.00 0.08 -0.78 0.11 -1.04 -2.24 114.38 110.51 2gbx h ARG 275 Ca 0.00 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 2gbx h ARG 275 Cb 0.77 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.85 2gbx h ARG 275 CO 0.00 0.16 -0.04 0.78 0.10 0.00 0.00 179.97 180.97 2gbx h GLY 276 N 0.46 -0.11 1.98 0.08 0.00 -1.81 -1.39 103.07 102.30 2gbx h GLY 276 Ca -0.00 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 2gbx h GLY 276 CO 0.02 -0.04 -0.38 -2.09 0.00 0.00 0.00 176.54 174.05 2gbx h GLU 277 N -0.46 0.02 -0.19 4.80 4.57 -1.80 -2.49 114.58 119.03 2gbx h GLU 277 Ca -0.01 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.02 2gbx h GLU 277 Cb 0.39 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2gbx h GLU 277 CO 0.02 0.40 -0.50 0.28 -1.18 0.00 0.00 179.01 178.03 2gbx h VAL 278 N 0.02 1.32 -0.59 0.32 2.07 -1.38 -1.82 116.25 116.18 2gbx h VAL 278 Ca -0.00 -1.72 -0.10 0.00 0.82 0.00 0.00 66.70 65.70 2gbx h VAL 278 Cb 0.68 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 2gbx h VAL 278 CO 0.05 0.53 -0.01 -0.09 0.02 0.00 0.00 177.57 178.07 2gbx h ARG 279 N 0.41 1.05 -0.02 1.57 2.43 -0.89 -1.95 114.38 116.98 2gbx h ARG 279 Ca 0.02 -0.33 -0.19 0.00 -0.81 0.00 0.00 59.98 58.66 2gbx h ARG 279 Cb 1.01 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2gbx h ARG 279 CO 0.09 1.03 -0.83 0.00 -1.51 0.00 0.00 179.97 178.76 2gbx h ARG 280 N 0.96 0.29 0.32 0.20 3.08 -1.41 -1.94 114.38 115.88 2gbx h ARG 280 Ca 0.17 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2gbx h ARG 280 Cb 0.56 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2gbx h ARG 280 CO 0.03 0.96 -0.16 0.87 -1.07 0.00 0.00 179.97 180.61 2gbx h LYS 281 N 0.18 -0.42 0.03 0.04 1.57 -1.28 -3.41 116.57 113.27 2gbx h LYS 281 Ca -0.04 0.03 -0.37 0.00 -1.87 0.00 0.00 60.65 58.40 2gbx h LYS 281 Cb 1.43 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.78 2gbx h LYS 281 CO 0.13 -0.28 -2.25 1.19 -0.57 0.00 0.00 179.45 177.68 2gbx n PHE 282 N -4.20 0.43 0.00 -1.35 3.72 -0.74 -5.10 117.46 110.21 2gbx n PHE 282 Ca -0.05 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2gbx n PHE 282 Cb 0.17 -1.06 0.00 0.00 -0.94 0.00 0.00 39.48 37.65 2gbx n PHE 282 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gbx n GLY 283 N 1.99 2.46 0.21 1.37 0.00 -0.73 -4.77 105.19 105.72 2gbx n GLY 283 Ca -0.36 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 43.78 2gbx n GLY 283 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gbx h PRO 284 N 0.00 0.00 -0.08 1.61 0.13 -1.90 -1.67 132.00 130.08 2gbx h PRO 284 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 2gbx h PRO 284 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2gbx h PRO 284 CO 0.00 0.00 -0.70 0.93 -0.23 0.00 0.00 178.00 178.00 2gbx h GLU 285 N 0.00 0.38 0.00 0.86 3.07 -1.94 -2.70 114.58 114.24 2gbx h GLU 285 Ca 0.00 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 2gbx h GLU 285 Cb 0.67 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2gbx h GLU 285 CO 0.00 0.94 -0.97 0.54 -1.40 0.00 0.00 179.01 178.11 2gbx n ARG 286 N -3.84 0.39 -0.25 2.33 1.74 -1.19 -3.77 116.66 112.07 2gbx n ARG 286 Ca -0.04 0.04 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 2gbx n ARG 286 Cb 0.69 -1.67 0.04 0.00 -1.02 0.00 0.00 32.46 30.50 2gbx n ARG 286 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2gbx h GLU 287 N 0.00 1.11 -0.82 5.56 4.81 -1.27 0.36 114.58 124.33 2gbx h GLU 287 Ca 0.00 -0.27 0.13 0.00 -0.13 0.00 0.00 59.36 59.09 2gbx h GLU 287 Cb 0.82 -0.14 -0.09 0.00 0.63 0.00 0.00 28.75 29.96 2gbx h GLU 287 CO 0.00 0.99 0.42 -0.09 -0.73 0.00 0.00 179.01 179.60 2gbx h ARG 288 N 1.04 0.61 -0.19 1.92 2.43 -1.57 -2.10 114.38 116.52 2gbx h ARG 288 Ca 0.22 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.16 2gbx h ARG 288 Cb 0.38 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2gbx h ARG 288 CO 0.00 0.41 -0.62 -0.07 -1.51 0.00 0.00 179.97 178.18 2gbx h LEU 289 N 0.63 0.88 -1.91 3.80 3.38 -1.58 -2.88 115.31 117.63 2gbx h LEU 289 Ca 0.44 -0.59 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2gbx h LEU 289 Cb 0.58 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2gbx h LEU 289 CO -0.34 1.32 0.19 0.22 0.09 0.00 0.00 178.44 179.92 2gbx h TYR 290 N 0.49 0.11 0.00 1.13 3.20 -0.33 -1.32 116.97 120.25 2gbx h TYR 290 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2gbx h TYR 290 Cb 1.24 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.48 2gbx h TYR 290 CO 0.09 0.06 -0.74 1.28 -1.64 0.00 0.00 178.16 177.21 2gbx n LEU 291 N -4.48 0.69 -4.94 2.82 4.77 -0.85 -4.99 117.00 110.02 2gbx n LEU 291 Ca 0.03 -0.18 -0.24 0.00 -0.03 0.00 0.00 56.01 55.59 2gbx n LEU 291 Cb 0.26 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 2gbx n LEU 291 CO 0.35 0.16 0.38 -0.83 -1.33 0.00 0.00 177.39 176.12 2gbx s GLY 292 N -3.07 1.62 -0.28 -0.72 0.00 -0.50 -2.40 107.32 101.96 2gbx s GLY 292 Ca 0.09 -0.98 -0.17 0.00 0.00 0.00 0.00 44.72 43.66 2gbx s GLY 292 CO 0.77 -0.76 0.45 -1.58 0.00 0.00 0.00 173.10 171.98 2gbx s HIS 293 N -2.73 3.24 0.32 1.90 2.46 0.41 -4.30 115.29 116.59 2gbx s HIS 293 Ca 0.52 0.44 -0.03 0.00 0.47 0.00 0.00 55.06 56.46 2gbx s HIS 293 Cb -0.10 -2.69 -0.04 0.00 -0.13 0.00 0.00 32.58 29.62 2gbx s HIS 293 CO 0.40 -0.30 0.56 -1.58 -2.47 0.00 0.00 174.74 171.35 2gbx s TRP 294 N 2.21 3.49 -0.33 3.88 0.52 -0.54 -1.26 118.94 126.91 2gbx s TRP 294 Ca 0.18 0.56 -0.02 0.00 0.02 0.00 0.00 56.10 56.84 2gbx s TRP 294 Cb -0.16 -2.05 0.12 0.00 -1.15 0.00 0.00 33.47 30.23 2gbx s TRP 294 CO 0.10 0.13 0.16 0.54 0.02 0.00 0.00 176.95 177.91 2gbx s ASN 295 N -3.48 3.43 0.10 2.95 4.22 -0.77 -3.48 114.94 117.90 2gbx s ASN 295 Ca 0.43 -1.75 0.05 0.00 -2.14 0.00 0.00 52.86 49.45 2gbx s ASN 295 Cb -0.10 -0.49 -0.04 0.00 1.28 0.00 0.00 41.25 41.89 2gbx s ASN 295 CO 0.33 -0.38 0.01 0.00 -2.04 0.00 0.00 177.10 175.02 2gbx s SER 297 N -2.38 1.55 -0.13 0.00 0.01 -1.00 -1.94 113.70 109.81 2gbx s SER 297 Ca 0.26 -0.18 -0.13 0.00 1.31 0.00 0.00 55.95 57.21 2gbx s SER 297 Cb -0.12 -0.60 -0.05 0.00 0.21 0.00 0.00 66.02 65.47 2gbx s SER 297 CO 0.19 -0.10 0.30 -0.63 0.41 0.00 0.00 173.24 173.41 2gbx s ILE 298 N 1.37 5.28 0.02 1.44 1.01 0.88 -3.27 121.20 127.95 2gbx s ILE 298 Ca -0.03 0.56 -0.30 0.00 0.00 0.00 0.00 60.65 60.88 2gbx s ILE 298 Cb -0.13 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2gbx s ILE 298 CO -0.03 0.44 1.02 0.12 0.00 0.00 0.00 174.94 176.49 2gbx s PHE 299 N 0.10 3.63 -0.19 3.97 5.36 -1.26 -1.99 117.98 127.59 2gbx s PHE 299 Ca 0.18 1.63 0.05 0.00 -0.96 0.00 0.00 56.93 57.82 2gbx s PHE 299 Cb -0.13 -3.17 -0.21 0.00 -0.34 0.00 0.00 43.02 39.16 2gbx s PHE 299 CO 0.05 -0.24 0.05 -0.35 -1.46 0.00 0.00 175.22 173.28 2gbx n PRO 300 N 3.79 0.68 -0.30 10.12 -0.04 -1.26 -4.74 135.00 143.24 2gbx n PRO 300 Ca 0.06 0.15 0.02 0.00 -0.04 0.00 0.00 63.50 63.70 2gbx n PRO 300 Cb 0.50 -1.59 0.03 0.00 -0.04 0.00 0.00 33.50 32.40 2gbx n PRO 300 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2gbx n ASN 301 N -3.18 0.66 -4.76 3.54 6.94 -1.02 -4.94 115.26 112.50 2gbx n ASN 301 Ca -0.37 -2.12 -0.33 0.00 -0.02 0.00 0.00 54.58 51.74 2gbx n ASN 301 Cb 1.05 -0.22 -0.07 0.00 -2.36 0.00 0.00 39.78 38.18 2gbx n ASN 301 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2gbx s SER 303 N -1.73 -0.24 0.17 0.00 0.01 -0.02 -0.08 113.70 111.81 2gbx s SER 303 Ca 0.22 0.06 -0.23 0.00 1.31 0.00 0.00 55.95 57.32 2gbx s SER 303 Cb -0.12 0.37 0.06 0.00 0.21 0.00 0.00 66.02 66.54 2gbx s SER 303 CO 0.13 -0.55 0.60 0.72 0.41 0.00 0.00 173.24 174.55 2gbx s PHE 304 N -1.86 -0.49 -0.34 2.43 -0.71 -0.82 0.36 117.98 116.55 2gbx s PHE 304 Ca -0.09 0.26 0.04 0.00 -1.04 0.00 0.00 56.93 56.09 2gbx s PHE 304 Cb -0.03 0.56 0.10 0.00 -1.21 0.00 0.00 43.02 42.44 2gbx s PHE 304 CO 0.02 -0.88 0.05 -0.51 -1.34 0.00 0.00 175.22 172.56 2gbx s LEU 305 N -2.77 4.63 0.07 -1.99 1.43 -0.17 -1.17 118.68 118.71 2gbx s LEU 305 Ca 0.02 -2.13 -0.31 0.00 -1.03 0.00 0.00 54.13 50.68 2gbx s LEU 305 Cb -0.01 -1.59 -0.07 0.00 0.03 0.00 0.00 46.19 44.55 2gbx s LEU 305 CO -0.11 -0.38 1.39 -0.47 0.23 0.00 0.00 176.35 177.01 2gbx s TYR 306 N 0.94 3.08 0.00 0.29 5.04 -1.23 0.56 117.35 126.04 2gbx s TYR 306 Ca 0.11 0.90 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 2gbx s TYR 306 Cb -0.19 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.45 2gbx s TYR 306 CO -0.09 -2.38 0.00 0.41 -1.34 0.00 0.00 175.55 172.15 2gbx n GLY 307 N 3.55 2.28 0.21 8.97 0.00 -1.26 -1.47 105.19 117.46 2gbx n GLY 307 Ca 0.12 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.46 2gbx n GLY 307 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2gbx h THR 308 N 0.00 0.75 -4.81 2.61 2.02 -1.62 -3.42 112.91 108.44 2gbx h THR 308 Ca 0.00 -1.20 -0.26 0.00 0.77 0.00 0.00 66.41 65.73 2gbx h THR 308 Cb 0.00 1.75 0.13 0.00 -1.74 0.00 0.00 68.15 68.29 2gbx h THR 308 CO 0.00 0.27 -0.59 0.59 0.37 0.00 0.00 175.52 176.16 2gbx n ASN 309 N -3.54 -2.10 -4.58 4.18 3.02 0.19 -4.18 115.26 108.24 2gbx n ASN 309 Ca -0.01 -0.48 -0.33 0.00 -0.03 0.00 0.00 54.58 53.74 2gbx n ASN 309 Cb 0.43 -4.06 -0.11 0.00 -0.61 0.00 0.00 39.78 35.43 2gbx n ASN 309 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2gbx s THR 310 N -3.28 3.64 -0.11 3.41 -1.32 -1.17 -3.01 115.64 113.80 2gbx s THR 310 Ca 0.01 -0.57 -0.01 0.00 -1.21 0.00 0.00 61.69 59.91 2gbx s THR 310 Cb -0.00 -2.51 0.03 0.00 -1.51 0.00 0.00 72.50 68.51 2gbx s THR 310 CO 0.56 0.55 -0.03 0.12 -2.21 0.00 0.00 174.62 173.60 2gbx s PHE 311 N -0.85 1.16 0.07 9.09 5.36 -0.14 -1.00 117.98 131.68 2gbx s PHE 311 Ca 0.14 -0.57 0.07 0.00 -0.96 0.00 0.00 56.93 55.60 2gbx s PHE 311 Cb -0.11 -1.06 -0.03 0.00 -0.34 0.00 0.00 43.02 41.48 2gbx s PHE 311 CO 0.03 -0.46 -0.20 0.15 -1.46 0.00 0.00 175.22 173.28 2gbx s LYS 312 N 1.81 1.20 -0.08 10.12 1.02 0.16 0.15 119.74 134.12 2gbx s LYS 312 Ca 0.04 -1.02 0.01 0.00 0.02 0.00 0.00 55.97 55.02 2gbx s LYS 312 Cb -0.13 -1.37 0.02 0.00 -0.52 0.00 0.00 37.83 35.83 2gbx s LYS 312 CO -0.07 0.33 -0.09 0.42 -0.92 0.00 0.00 175.35 175.03 2gbx s ILE 313 N -0.99 0.95 -0.64 2.17 1.09 -0.85 -0.84 121.20 122.10 2gbx s ILE 313 Ca 0.06 -0.32 -0.16 0.00 -1.10 0.00 0.00 60.65 59.13 2gbx s ILE 313 Cb -0.09 -0.93 0.15 0.00 -1.06 0.00 0.00 42.46 40.53 2gbx s ILE 313 CO 0.03 0.33 0.62 0.26 -0.10 0.00 0.00 174.94 176.08 2gbx s TRP 314 N 1.13 3.34 -0.39 3.97 0.52 -0.31 -1.79 118.94 125.41 2gbx s TRP 314 Ca -0.06 -1.43 -0.26 0.00 0.02 0.00 0.00 56.10 54.37 2gbx s TRP 314 Cb -0.14 -3.85 0.02 0.00 -1.15 0.00 0.00 33.47 28.34 2gbx s TRP 314 CO -0.01 -1.07 0.93 -1.01 0.02 0.00 0.00 176.95 175.81 2gbx s HIS 315 N 1.42 3.03 0.28 -1.98 3.76 -0.94 -4.88 115.29 115.98 2gbx s HIS 315 Ca 0.09 0.68 -0.29 0.00 -0.15 0.00 0.00 55.06 55.39 2gbx s HIS 315 Cb -0.23 -3.75 -0.10 0.00 1.11 0.00 0.00 32.58 29.61 2gbx s HIS 315 CO -0.00 -0.91 1.27 -1.25 -0.85 0.00 0.00 174.74 173.00 2gbx s PRO 316 N 3.58 4.42 -0.52 8.40 0.04 -1.26 0.18 135.00 149.84 2gbx s PRO 316 Ca 0.38 2.09 0.06 0.00 0.04 0.00 0.00 61.00 63.58 2gbx s PRO 316 Cb -0.11 -3.13 0.36 0.00 0.04 0.00 0.00 34.50 31.66 2gbx s PRO 316 CO 0.21 -0.13 0.96 0.54 0.04 0.00 0.00 177.00 178.62 2gbx n ARG 317 N 1.40 2.92 0.00 4.56 1.74 0.58 -4.06 116.66 123.80 2gbx n ARG 317 Ca 0.02 -4.55 0.00 0.00 -0.77 0.00 0.00 57.85 52.55 2gbx n ARG 317 Cb 0.43 -2.14 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 2gbx n ARG 317 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gbx n GLY 318 N -0.22 0.29 0.25 -0.13 0.00 -1.25 -4.27 105.19 99.86 2gbx n GLY 318 Ca 0.31 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 44.44 2gbx n GLY 318 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gbx h PRO 319 N 0.00 0.00 -0.16 1.61 0.13 -1.89 -3.29 132.00 128.40 2gbx h PRO 319 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2gbx h PRO 319 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2gbx h PRO 319 CO 0.00 0.06 -0.06 0.72 -0.23 0.00 0.00 178.00 178.49 2gbx n HIS 320 N -3.16 0.54 -3.55 1.56 8.25 -1.26 -3.62 115.22 113.99 2gbx n HIS 320 Ca 0.01 -1.10 -0.16 0.00 -0.26 0.00 0.00 57.72 56.22 2gbx n HIS 320 Cb 0.38 -0.28 -0.06 0.00 1.12 0.00 0.00 29.99 31.15 2gbx n HIS 320 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2gbx s GLU 321 N -2.95 0.93 0.16 -0.41 2.12 -0.71 -2.77 118.70 115.07 2gbx s GLU 321 Ca 0.39 0.35 -0.03 0.00 0.36 0.00 0.00 54.97 56.03 2gbx s GLU 321 Cb 0.33 0.44 -0.03 0.00 0.26 0.00 0.00 34.13 35.13 2gbx s GLU 321 CO 0.04 -0.27 0.14 0.96 -0.54 0.00 0.00 175.26 175.59 2gbx s ILE 322 N -0.93 0.06 -0.27 -3.70 -4.36 -0.56 -0.31 121.20 111.14 2gbx s ILE 322 Ca -0.07 -1.82 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 2gbx s ILE 322 Cb -0.01 -2.15 0.07 0.00 1.25 0.00 0.00 42.46 41.63 2gbx s ILE 322 CO 0.07 -0.28 -0.02 -0.70 0.24 0.00 0.00 174.94 174.25 2gbx s GLU 323 N -4.06 1.58 -0.22 0.37 2.12 0.13 -1.59 118.70 117.01 2gbx s GLU 323 Ca 0.27 -1.24 -0.25 0.00 0.36 0.00 0.00 54.97 54.11 2gbx s GLU 323 Cb 0.06 -2.69 -0.01 0.00 0.26 0.00 0.00 34.13 31.75 2gbx s GLU 323 CO 0.05 -0.71 0.86 0.08 -0.54 0.00 0.00 175.26 174.99 2gbx s VAL 324 N 1.27 4.83 -0.43 3.70 1.01 -0.18 -2.23 120.40 128.37 2gbx s VAL 324 Ca -0.01 1.64 -0.10 0.00 0.00 0.00 0.00 61.98 63.51 2gbx s VAL 324 Cb -0.19 -4.15 0.09 0.00 0.00 0.00 0.00 36.38 32.13 2gbx s VAL 324 CO -0.09 -0.06 0.29 0.26 0.00 0.00 0.00 175.10 175.50 2gbx s TRP 325 N 2.74 3.35 -0.39 5.22 0.52 -0.74 -2.63 118.94 127.00 2gbx s TRP 325 Ca 0.37 -1.55 -0.15 0.00 0.02 0.00 0.00 56.10 54.78 2gbx s TRP 325 Cb -0.16 -3.09 0.01 0.00 -1.15 0.00 0.00 33.47 29.09 2gbx s TRP 325 CO 0.08 -0.87 0.32 0.99 0.02 0.00 0.00 176.95 177.49 2gbx s THR 326 N 1.43 5.22 0.53 2.01 2.01 -0.90 -2.01 115.64 123.93 2gbx s THR 326 Ca 0.04 -0.42 0.09 0.00 0.31 0.00 0.00 61.69 61.70 2gbx s THR 326 Cb -0.24 -3.90 0.06 0.00 0.01 0.00 0.00 72.50 68.44 2gbx s THR 326 CO 0.02 -0.25 0.69 -0.31 -0.69 0.00 0.00 174.62 174.08 2gbx s TYR 327 N 1.82 1.77 -0.16 4.92 1.51 0.40 -1.70 117.35 125.92 2gbx s TYR 327 Ca 0.07 -0.66 0.02 0.00 -1.01 0.00 0.00 57.07 55.49 2gbx s TYR 327 Cb -0.18 -2.21 0.01 0.00 -0.11 0.00 0.00 41.96 39.47 2gbx s TYR 327 CO 0.11 -0.89 -0.21 0.99 -1.11 0.00 0.00 175.55 174.44 2gbx s THR 328 N -2.60 2.09 -0.33 -0.71 2.01 -1.23 -0.96 115.64 113.89 2gbx s THR 328 Ca 0.57 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 61.47 2gbx s THR 328 Cb -0.06 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 2gbx s THR 328 CO 0.36 0.54 0.34 -0.51 -0.69 0.00 0.00 174.62 174.66 2gbx s ILE 329 N 1.01 5.19 0.13 1.82 2.07 -1.16 -0.96 121.20 129.29 2gbx s ILE 329 Ca -0.02 0.07 0.05 0.00 -1.41 0.00 0.00 60.65 59.34 2gbx s ILE 329 Cb -0.14 -3.79 -0.04 0.00 0.13 0.00 0.00 42.46 38.62 2gbx s ILE 329 CO -0.06 -0.05 -0.12 0.68 -1.91 0.00 0.00 174.94 173.48 2gbx s VAL 330 N 1.98 1.21 0.50 4.00 -7.23 -0.05 -4.70 120.40 116.11 2gbx s VAL 330 Ca 0.11 -1.84 -0.21 0.00 -1.81 0.00 0.00 61.98 58.24 2gbx s VAL 330 Cb -0.17 -1.62 -0.07 0.00 0.56 0.00 0.00 36.38 35.08 2gbx s VAL 330 CO 0.11 -0.57 1.11 -2.84 -0.31 0.00 0.00 175.10 172.61 2gbx s PRO 331 N -3.10 3.62 0.08 4.82 0.02 -1.26 0.31 135.00 139.49 2gbx s PRO 331 Ca 0.11 1.58 -0.18 0.00 0.02 0.00 0.00 61.00 62.54 2gbx s PRO 331 Cb -0.02 -2.17 -0.09 0.00 0.02 0.00 0.00 34.50 32.25 2gbx s PRO 331 CO 0.02 -0.62 1.47 0.00 -0.33 0.00 0.00 177.00 177.54 2gbx h ARG 332 N 1.60 0.50 0.00 5.54 3.08 -1.75 -3.24 114.38 120.10 2gbx h ARG 332 Ca -0.50 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.36 2gbx h ARG 332 Cb 1.24 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2gbx h ARG 332 CO 0.59 0.72 0.00 -0.25 -1.07 0.00 0.00 179.97 179.96 2gbx n ASP 333 N -4.53 0.07 -4.76 7.04 9.92 -1.26 -4.83 116.55 118.20 2gbx n ASP 333 Ca -0.04 0.51 -0.34 0.00 -0.53 0.00 0.00 54.79 54.39 2gbx n ASP 333 Cb 0.31 -0.53 0.05 0.00 -0.64 0.00 0.00 41.12 40.31 2gbx n ASP 333 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gbx s ALA 334 N -3.02 2.42 0.51 2.24 0.00 -1.22 -5.00 121.76 117.69 2gbx s ALA 334 Ca 0.11 0.75 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 2gbx s ALA 334 Cb 0.14 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 2gbx s ALA 334 CO 0.42 -1.33 1.08 -0.51 0.00 0.00 0.00 175.76 175.41 2gbx s ASP 335 N -2.16 6.10 0.33 0.00 1.11 -1.26 -4.82 116.67 115.97 2gbx s ASP 335 Ca 0.71 2.04 0.10 0.00 0.18 0.00 0.00 52.55 55.59 2gbx s ASP 335 Cb -0.25 -2.57 0.89 0.00 1.07 0.00 0.00 42.92 42.06 2gbx s ASP 335 CO 0.39 -0.95 1.76 -0.65 1.18 0.00 0.00 175.17 176.89 2gbx h PRO 336 N 1.45 0.58 -0.54 8.23 0.11 -1.95 0.25 132.00 140.12 2gbx h PRO 336 Ca -0.50 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 2gbx h PRO 336 Cb 1.24 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2gbx h PRO 336 CO 0.58 0.38 -0.05 0.00 -0.21 0.00 0.00 178.00 178.70 2gbx h ALA 337 N 1.68 0.88 -0.39 -0.75 0.00 -1.99 -2.05 119.26 116.64 2gbx h ALA 337 Ca 0.61 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 2gbx h ALA 337 Cb 1.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2gbx h ALA 337 CO -0.40 0.65 -0.34 1.15 0.00 0.00 0.00 179.25 180.31 2gbx h THR 338 N 0.88 1.27 -0.48 0.00 2.02 -1.48 -1.47 112.91 113.66 2gbx h THR 338 Ca 0.15 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 65.82 2gbx h THR 338 Cb 0.59 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 2gbx h THR 338 CO 0.04 0.50 0.29 0.11 0.37 0.00 0.00 175.52 176.83 2gbx h LYS 339 N 0.75 0.66 -0.15 6.66 1.57 -0.92 0.29 116.57 125.43 2gbx h LYS 339 Ca 0.07 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2gbx h LYS 339 Cb 0.91 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2gbx h LYS 339 CO 0.08 0.49 -0.40 0.77 -0.57 0.00 0.00 179.45 179.82 2gbx h SER 340 N 0.64 0.35 -0.26 0.86 0.02 -1.34 -0.46 113.55 113.36 2gbx h SER 340 Ca 0.17 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2gbx h SER 340 Cb 0.00 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2gbx h SER 340 CO -0.03 0.72 -0.07 -0.03 -1.14 0.00 0.00 176.83 176.27 2gbx h MET 341 N 0.28 0.51 -0.59 3.45 1.85 -0.98 -1.90 114.93 117.56 2gbx h MET 341 Ca 0.03 -0.20 -0.03 0.00 -0.61 0.00 0.00 59.70 58.88 2gbx h MET 341 Cb 0.83 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.81 2gbx h MET 341 CO 0.07 0.73 0.23 0.82 -0.40 0.00 0.00 176.91 178.37 2gbx h ILE 342 N 0.26 1.21 -0.42 1.77 2.04 -0.84 -2.38 117.51 119.16 2gbx h ILE 342 Ca 0.07 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2gbx h ILE 342 Cb 0.55 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2gbx h ILE 342 CO 0.03 0.26 0.14 -0.61 0.00 0.00 0.00 178.15 177.98 2gbx h GLN 343 N 0.85 0.64 -0.37 2.37 4.15 -0.90 -1.10 115.11 120.74 2gbx h GLN 343 Ca 0.20 -0.13 -0.11 0.00 0.77 0.00 0.00 58.65 59.38 2gbx h GLN 343 Cb 0.17 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2gbx h GLN 343 CO -0.02 0.61 -0.20 0.00 -1.93 0.00 0.00 178.83 177.30 2gbx h ARG 344 N 0.53 0.79 -0.18 1.69 3.08 -1.24 -2.12 114.38 116.92 2gbx h ARG 344 Ca 0.14 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.73 2gbx h ARG 344 Cb 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2gbx h ARG 344 CO -0.01 0.98 -0.34 0.93 -1.07 0.00 0.00 179.97 180.46 2gbx h GLU 345 N 0.58 0.38 -0.21 0.04 4.39 -1.40 -1.09 114.58 117.27 2gbx h GLU 345 Ca 0.08 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 2gbx h GLU 345 Cb 0.75 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2gbx h GLU 345 CO 0.06 0.68 -0.35 0.00 -1.16 0.00 0.00 179.01 178.24 2gbx h ALA 346 N 1.31 0.32 -0.12 3.43 0.00 -1.15 -2.73 119.26 120.33 2gbx h ALA 346 Ca 0.04 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.35 2gbx h ALA 346 Cb 0.76 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2gbx h ALA 346 CO 0.06 0.38 -0.65 0.82 0.00 0.00 0.00 179.25 179.86 2gbx h ILE 347 N 0.28 1.35 0.00 0.00 2.04 -1.35 0.25 117.51 120.08 2gbx h ILE 347 Ca 0.02 -1.98 -0.05 0.00 1.00 0.00 0.00 64.86 63.85 2gbx h ILE 347 Cb 0.94 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 2gbx h ILE 347 CO 0.08 0.60 -0.21 -0.09 0.00 0.00 0.00 178.15 178.53 2gbx h ARG 348 N 0.33 0.00 0.00 2.37 2.43 -1.24 0.62 114.38 118.89 2gbx h ARG 348 Ca -0.01 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.90 2gbx h ARG 348 Cb 1.20 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 2gbx h ARG 348 CO 0.11 0.21 -1.46 0.25 -1.51 0.00 0.00 179.97 177.58 2gbx n THR 349 N -4.06 1.53 -1.85 0.20 -2.24 -1.03 0.03 114.28 106.86 2gbx n THR 349 Ca -0.02 -0.08 0.05 0.00 -2.27 0.00 0.00 64.05 61.73 2gbx n THR 349 Cb 0.29 -2.03 0.16 0.00 -2.10 0.00 0.00 70.33 66.64 2gbx n THR 349 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2gbx n PHE 350 N -4.41 0.03 -0.67 4.78 3.72 0.87 -1.08 117.46 120.70 2gbx n PHE 350 Ca -0.35 -1.24 0.00 0.00 -0.05 0.00 0.00 57.45 55.81 2gbx n PHE 350 Cb 0.70 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 2gbx n PHE 350 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gbx n GLY 351 N -0.68 -0.24 0.26 1.37 0.00 0.21 -4.84 105.19 101.27 2gbx n GLY 351 Ca 0.16 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 2gbx n GLY 351 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2gbx h THR 352 N -0.18 1.26 -1.37 2.61 2.02 -1.94 -2.95 112.91 112.37 2gbx h THR 352 Ca 0.00 -1.04 -0.66 0.00 0.77 0.00 0.00 66.41 65.48 2gbx h THR 352 Cb 0.00 0.93 -0.34 0.00 -1.74 0.00 0.00 68.15 67.00 2gbx h THR 352 CO 0.00 0.37 0.27 0.00 0.37 0.00 0.00 175.52 176.53 2gbx n ALA 353 N -2.43 5.88 -1.78 6.16 0.00 -1.26 -4.79 120.51 122.29 2gbx n ALA 353 Ca 0.01 -3.91 -0.35 0.00 0.00 0.00 0.00 53.44 49.19 2gbx n ALA 353 Cb 0.30 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 2gbx n ALA 353 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2gbx s GLY 354 N -2.30 2.61 0.41 0.00 0.00 -1.11 -4.90 107.32 102.03 2gbx s GLY 354 Ca 0.55 0.78 0.21 0.00 0.00 0.00 0.00 44.72 46.25 2gbx s GLY 354 CO -0.16 1.13 1.79 -0.91 0.00 0.00 0.00 173.10 174.94 2gbx h THR 355 N 1.31 0.76 0.00 0.90 1.35 0.02 -2.89 112.91 114.36 2gbx h THR 355 Ca -0.50 -1.32 -0.31 0.00 -0.55 0.00 0.00 66.41 63.74 2gbx h THR 355 Cb 1.25 1.83 -0.05 0.00 -1.73 0.00 0.00 68.15 69.46 2gbx h THR 355 CO 0.58 0.30 -2.01 0.18 -0.25 0.00 0.00 175.52 174.32 2gbx n LEU 356 N -3.51 1.91 0.06 3.87 4.32 -0.24 -4.62 117.00 118.78 2gbx n LEU 356 Ca -0.00 0.33 0.16 0.00 -0.02 0.00 0.00 56.01 56.48 2gbx n LEU 356 Cb 0.46 -0.77 0.65 0.00 -1.62 0.00 0.00 43.42 42.14 2gbx n LEU 356 CO 0.35 0.29 1.15 -0.08 -1.22 0.00 0.00 177.39 177.88 2gbx h GLU 357 N -0.97 0.05 0.00 3.23 4.57 -1.59 0.03 114.58 119.90 2gbx h GLU 357 Ca -0.46 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.69 2gbx h GLU 357 Cb 1.40 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.97 2gbx h GLU 357 CO -0.28 0.04 -0.11 0.77 -1.18 0.00 0.00 179.01 178.25 2gbx h SER 358 N 0.05 0.00 -0.08 1.04 0.02 -1.77 -2.53 113.55 110.29 2gbx h SER 358 Ca 0.19 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.98 2gbx h SER 358 Cb 0.69 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 2gbx h SER 358 CO -0.01 0.11 -0.49 0.44 -1.14 0.00 0.00 176.83 175.73 2gbx h ASP 359 N 0.00 0.70 1.09 3.07 3.32 -1.24 -3.26 116.42 120.11 2gbx h ASP 359 Ca -0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2gbx h ASP 359 Cb 0.27 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2gbx h ASP 359 CO 0.01 1.07 0.00 0.47 -1.72 0.00 0.00 179.24 179.08 2gbx n ASP 360 N -3.99 0.51 -0.27 6.45 8.00 -0.96 -4.19 116.55 122.10 2gbx n ASP 360 Ca -0.03 0.57 0.04 0.00 0.71 0.00 0.00 54.79 56.08 2gbx n ASP 360 Cb 0.58 -0.70 0.12 0.00 -0.02 0.00 0.00 41.12 41.10 2gbx n ASP 360 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2gbx h GLY 361 N 3.90 0.68 1.42 0.44 0.00 -1.59 -1.55 103.07 106.37 2gbx h GLY 361 Ca 0.00 0.20 -0.25 0.00 0.00 0.00 0.00 47.33 47.28 2gbx h GLY 361 CO 0.00 -0.30 -1.03 -2.09 0.00 0.00 0.00 176.54 173.12 2gbx h GLU 362 N 0.03 0.51 -0.46 4.80 4.81 -1.85 -3.20 114.58 119.23 2gbx h GLU 362 Ca 0.39 -0.58 0.09 0.00 -0.13 0.00 0.00 59.36 59.13 2gbx h GLU 362 Cb 0.65 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 2gbx h GLU 362 CO -0.76 1.21 0.31 -0.91 -0.73 0.00 0.00 179.01 178.14 2gbx h ASN 363 N 0.28 0.22 0.00 1.04 2.35 -1.52 0.28 115.58 118.23 2gbx h ASN 363 Ca -0.11 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2gbx h ASN 363 Cb 1.68 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 40.00 2gbx h ASN 363 CO 0.19 0.14 -0.03 0.24 -1.65 0.00 0.00 177.43 176.31 2gbx h MET 364 N 0.25 0.02 -0.18 0.81 2.86 -1.53 -3.28 114.93 113.87 2gbx h MET 364 Ca 0.21 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 2gbx h MET 364 Cb 0.51 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 2gbx h MET 364 CO -0.04 0.86 -0.29 0.66 1.06 0.00 0.00 176.91 179.16 2gbx h SER 365 N -0.82 0.57 -0.37 1.22 4.64 -1.43 -3.19 113.55 114.17 2gbx h SER 365 Ca -0.00 -0.53 -0.04 0.00 -0.47 0.00 0.00 61.79 60.75 2gbx h SER 365 Cb 0.88 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 2gbx h SER 365 CO 0.01 0.99 0.11 -1.28 -0.87 0.00 0.00 176.83 175.79 2gbx h SER 366 N 0.18 0.61 0.04 4.97 0.87 -0.65 -0.51 113.55 119.05 2gbx h SER 366 Ca 0.02 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 2gbx h SER 366 Cb 0.87 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2gbx h SER 366 CO 0.07 0.61 -0.15 0.00 -0.53 0.00 0.00 176.83 176.83 2gbx h ALA 367 N 1.48 1.49 0.00 6.23 0.00 -1.61 -2.33 119.26 124.52 2gbx h ALA 367 Ca 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2gbx h ALA 367 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2gbx h ALA 367 CO -0.00 0.36 -0.29 1.15 0.00 0.00 0.00 179.25 180.47 2gbx h THR 368 N 0.22 0.94 0.00 0.00 2.02 -1.37 -3.39 112.91 111.33 2gbx h THR 368 Ca 0.04 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.43 2gbx h THR 368 Cb 0.40 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 2gbx h THR 368 CO 0.02 0.32 0.00 -1.22 0.37 0.00 0.00 175.52 175.01 2gbx n TYR 369 N -4.63 0.00 0.22 3.16 4.01 -0.27 -2.33 117.16 117.33 2gbx n TYR 369 Ca -0.11 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.71 2gbx n TYR 369 Cb 0.36 -0.37 0.51 0.00 -0.31 0.00 0.00 39.34 39.53 2gbx n TYR 369 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 2gbx h ILE 370 N 0.00 0.84 0.00 -0.72 6.09 -1.61 -2.89 117.51 119.22 2gbx h ILE 370 Ca 0.00 -1.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.49 2gbx h ILE 370 Cb 0.34 1.60 0.00 0.00 0.47 0.00 0.00 36.82 39.23 2gbx h ILE 370 CO 0.00 0.25 0.00 0.59 -3.07 0.00 0.00 178.15 175.92 2gbx n ASN 371 N -3.74 0.59 0.18 2.19 3.02 -0.98 -3.56 115.26 112.96 2gbx n ASN 371 Ca -0.01 -1.96 0.03 0.00 -0.03 0.00 0.00 54.58 52.60 2gbx n ASN 371 Cb 0.36 -0.29 0.34 0.00 -0.61 0.00 0.00 39.78 39.57 2gbx n ASN 371 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2gbx h ARG 372 N 0.01 0.00 -6.83 3.52 2.43 -1.72 -3.41 114.38 108.39 2gbx h ARG 372 Ca 0.00 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.69 2gbx h ARG 372 Cb 0.29 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2gbx h ARG 372 CO 0.00 0.41 0.27 0.20 -1.51 0.00 0.00 179.97 179.34 2gbx s GLY 373 N -4.34 2.65 0.10 2.80 0.00 -1.23 -5.01 107.32 102.29 2gbx s GLY 373 Ca -0.02 0.38 -0.13 0.00 0.00 0.00 0.00 44.72 44.95 2gbx s GLY 373 CO 0.72 0.75 1.30 -0.24 0.00 0.00 0.00 173.10 175.64 2gbx h VAL 374 N 2.47 1.27 -0.07 1.40 3.04 -1.93 -2.35 116.25 120.08 2gbx h VAL 374 Ca -0.48 -1.97 -0.12 0.00 -1.01 0.00 0.00 66.70 63.12 2gbx h VAL 374 Cb 1.19 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 32.44 2gbx h VAL 374 CO 0.64 0.63 -0.49 0.40 -1.01 0.00 0.00 177.57 177.74 2gbx h ILE 375 N 0.54 1.35 0.19 3.17 1.08 -1.97 -2.99 117.51 118.89 2gbx h ILE 375 Ca -0.05 -1.72 -0.01 0.00 -0.39 0.00 0.00 64.86 62.69 2gbx h ILE 375 Cb 1.42 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 37.02 2gbx h ILE 375 CO 0.16 0.51 -0.09 0.74 -0.69 0.00 0.00 178.15 178.78 2gbx h THR 376 N 0.14 0.89 0.00 -0.27 2.02 -1.88 -3.32 112.91 110.49 2gbx h THR 376 Ca 0.01 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2gbx h THR 376 Cb 0.93 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 2gbx h THR 376 CO 0.07 0.19 0.00 0.08 0.37 0.00 0.00 175.52 176.23 2gbx h ARG 377 N -0.73 0.00 0.00 6.66 0.11 -1.45 -1.17 114.38 117.81 2gbx h ARG 377 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2gbx h ARG 377 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 2gbx h ARG 377 CO 0.04 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.20 2gbx n ASN 378 N -2.85 0.00 -2.88 0.08 5.03 -1.13 -3.16 115.26 110.34 2gbx n ASN 378 Ca 0.01 -0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.33 2gbx n ASN 378 Cb 0.26 -0.29 0.00 0.00 -1.02 0.00 0.00 39.78 38.73 2gbx n ASN 378 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gbx n GLY 379 N 1.24 -1.79 3.17 7.41 0.00 -0.44 -4.90 105.19 109.88 2gbx n GLY 379 Ca 0.14 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 2gbx n GLY 379 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gbx s ARG 380 N -1.33 0.93 0.00 1.61 0.52 -1.26 -2.92 118.95 116.51 2gbx s ARG 380 Ca 0.00 -1.44 0.07 0.00 -0.52 0.00 0.00 55.73 53.84 2gbx s ARG 380 Cb 0.00 0.10 -0.03 0.00 0.52 0.00 0.00 34.95 35.54 2gbx s ARG 380 CO 0.00 -0.20 -0.20 -1.64 0.02 0.00 0.00 175.30 173.28 2gbx s MET 381 N -3.99 2.16 -0.07 3.54 -1.94 0.26 -4.84 119.30 114.41 2gbx s MET 381 Ca 0.22 -0.91 -0.08 0.00 -1.71 0.00 0.00 55.69 53.21 2gbx s MET 381 Cb 0.07 -2.18 -0.04 0.00 2.01 0.00 0.00 34.83 34.69 2gbx s MET 381 CO 0.01 0.56 0.21 1.21 -0.01 0.00 0.00 175.02 177.00 2gbx s ASN 382 N -1.04 6.47 -0.43 3.03 3.84 -1.26 -1.52 114.94 124.03 2gbx s ASN 382 Ca 0.12 0.55 0.08 0.00 0.21 0.00 0.00 52.86 53.82 2gbx s ASN 382 Cb -0.10 -2.10 0.29 0.00 -0.55 0.00 0.00 41.25 38.80 2gbx s ASN 382 CO 0.02 0.36 0.83 -1.54 -2.79 0.00 0.00 177.10 173.98 2gbx n SER 383 N 1.72 -1.06 -0.09 -4.21 3.41 -0.70 -4.97 113.62 107.72 2gbx n SER 383 Ca -0.17 -3.20 0.07 0.00 -0.26 0.00 0.00 58.87 55.31 2gbx n SER 383 Cb 0.54 0.66 0.10 0.00 -0.26 0.00 0.00 64.21 65.25 2gbx n SER 383 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2gbx n THR 384 N 0.86 1.62 -2.31 6.66 -2.24 -1.25 -4.71 114.28 112.91 2gbx n THR 384 Ca 0.15 -1.85 -0.43 0.00 -2.27 0.00 0.00 64.05 59.65 2gbx n THR 384 Cb 0.64 -0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 2gbx n THR 384 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2gbx s MET 385 N -2.28 3.67 0.00 -0.78 1.75 -1.26 -2.74 119.30 117.67 2gbx s MET 385 Ca 0.22 1.15 0.00 0.00 -1.25 0.00 0.00 55.69 55.81 2gbx s MET 385 Cb 0.19 -4.00 0.00 0.00 2.84 0.00 0.00 34.83 33.86 2gbx s MET 385 CO 0.03 -1.44 0.00 0.41 -0.65 0.00 0.00 175.02 173.37 2gbx n GLY 386 N 4.85 0.54 3.71 2.11 0.00 -1.26 -1.52 105.19 113.62 2gbx n GLY 386 Ca 0.17 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 2gbx n GLY 386 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbx s VAL 387 N -2.00 4.12 0.00 1.61 0.11 -1.11 -2.88 120.40 120.26 2gbx s VAL 387 Ca 0.00 1.51 0.00 0.00 -2.93 0.00 0.00 61.98 60.56 2gbx s VAL 387 Cb 0.00 -3.97 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 2gbx s VAL 387 CO 0.00 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 2gbx n GLY 388 N 3.23 2.97 2.60 6.54 0.00 -1.26 -4.93 105.19 114.34 2gbx n GLY 388 Ca 0.09 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 2gbx n GLY 388 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2gbx n TYR 389 N 0.00 2.79 -3.55 1.61 4.02 -1.14 -4.76 117.16 116.14 2gbx n TYR 389 Ca 0.00 -2.89 -0.07 0.00 -0.01 0.00 0.00 57.90 54.93 2gbx n TYR 389 Cb 0.00 -2.10 -0.02 0.00 -0.02 0.00 0.00 39.34 37.19 2gbx n TYR 389 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 2gbx s GLU 390 N 0.59 0.60 0.00 -0.72 -1.05 -1.26 -3.70 118.70 113.16 2gbx s GLU 390 Ca 0.52 -0.17 0.00 0.00 -0.15 0.00 0.00 54.97 55.17 2gbx s GLU 390 Cb 0.15 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 2gbx s GLU 390 CO -0.06 -0.25 0.00 0.41 0.95 0.00 0.00 175.26 176.31 2gbx n GLY 391 N -0.05 -1.77 3.69 -3.83 0.00 -0.97 -4.50 105.19 97.76 2gbx n GLY 391 Ca -0.06 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 2gbx n GLY 391 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gbx s PRO 392 N -1.67 4.30 0.12 1.61 0.04 -1.26 -1.12 135.00 137.02 2gbx s PRO 392 Ca 0.00 1.86 -0.23 0.00 0.04 0.00 0.00 61.00 62.68 2gbx s PRO 392 Cb 0.00 -3.59 -0.07 0.00 0.04 0.00 0.00 34.50 30.87 2gbx s PRO 392 CO 0.00 -0.55 0.69 -1.58 0.04 0.00 0.00 177.00 175.60 2gbx s HIS 393 N 2.47 3.86 -1.06 0.56 2.46 -1.24 -4.63 115.29 117.72 2gbx s HIS 393 Ca 0.61 1.48 0.13 0.00 0.47 0.00 0.00 55.06 57.75 2gbx s HIS 393 Cb -0.29 -2.66 0.57 0.00 -0.13 0.00 0.00 32.58 30.08 2gbx s HIS 393 CO 0.24 0.54 1.41 -0.35 -2.47 0.00 0.00 174.74 174.11 2gbx n PRO 394 N 1.70 0.02 -0.01 2.88 -0.04 -1.26 -3.87 135.00 134.42 2gbx n PRO 394 Ca -0.07 0.26 -0.04 0.00 -0.04 0.00 0.00 63.50 63.61 2gbx n PRO 394 Cb 0.50 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2gbx n PRO 394 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2gbx n VAL 395 N -1.47 0.36 -2.85 0.52 0.31 -1.26 -5.04 118.33 108.89 2gbx n VAL 395 Ca 0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.97 2gbx n VAL 395 Cb 0.15 -1.57 -0.05 0.00 -0.91 0.00 0.00 33.84 31.45 2gbx n VAL 395 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2gbx s TYR 396 N -2.08 3.85 0.87 3.52 2.02 -1.25 -5.06 117.35 119.22 2gbx s TYR 396 Ca -0.05 1.71 -0.12 0.00 -0.37 0.00 0.00 57.07 58.24 2gbx s TYR 396 Cb 0.02 -2.92 0.11 0.00 -0.40 0.00 0.00 41.96 38.77 2gbx s TYR 396 CO 0.07 0.35 1.12 -1.25 -1.57 0.00 0.00 175.55 174.27 2gbx s PRO 397 N -0.52 1.50 3.47 -1.71 0.04 -1.26 -3.69 135.00 132.83 2gbx s PRO 397 Ca 0.41 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2gbx s PRO 397 Cb -0.23 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2gbx s PRO 397 CO 0.28 -1.97 0.00 0.41 0.04 0.00 0.00 177.00 175.76 2gbx n GLY 398 N -2.21 0.26 3.51 0.56 0.00 -1.26 -4.75 105.19 101.30 2gbx n GLY 398 Ca 0.07 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 2gbx n GLY 398 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbx s ILE 399 N 0.00 3.61 0.13 -0.61 -1.09 -0.74 -4.09 121.20 118.41 2gbx s ILE 399 Ca 0.00 -0.49 0.11 0.00 -2.23 0.00 0.00 60.65 58.04 2gbx s ILE 399 Cb 0.00 -2.51 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 2gbx s ILE 399 CO 0.00 0.55 -0.27 -0.69 -1.23 0.00 0.00 174.94 173.31 2gbx s VAL 400 N -0.24 2.27 0.20 2.92 1.01 -0.27 -0.94 120.40 125.34 2gbx s VAL 400 Ca 0.03 -1.74 0.08 0.00 0.00 0.00 0.00 61.98 60.36 2gbx s VAL 400 Cb -0.13 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2gbx s VAL 400 CO 0.03 0.10 -0.04 -0.83 0.00 0.00 0.00 175.10 174.36 2gbx s GLY 401 N -2.03 1.71 0.35 4.51 0.00 0.39 -2.28 107.32 109.97 2gbx s GLY 401 Ca 0.14 -1.48 0.16 0.00 0.00 0.00 0.00 44.72 43.54 2gbx s GLY 401 CO 0.06 -1.51 1.70 0.16 0.00 0.00 0.00 173.10 173.51 2gbx h ILE 402 N 2.43 1.05 -3.97 0.90 -0.00 -1.86 -2.96 117.51 113.09 2gbx h ILE 402 Ca -0.46 -1.69 -0.20 0.00 -0.00 0.00 0.00 64.86 62.51 2gbx h ILE 402 Cb 1.22 1.99 -0.21 0.00 -0.00 0.00 0.00 36.82 39.81 2gbx h ILE 402 CO 0.57 0.44 -0.71 -0.55 -0.00 0.00 0.00 178.15 177.90 2gbx s SER 403 N -6.57 0.42 0.40 2.16 0.15 -1.26 -4.51 113.70 104.50 2gbx s SER 403 Ca -0.00 -0.51 0.22 0.00 0.70 0.00 0.00 55.95 56.36 2gbx s SER 403 Cb 0.12 0.08 0.64 0.00 -1.71 0.00 0.00 66.02 65.14 2gbx s SER 403 CO 0.71 -0.27 1.70 2.19 1.20 0.00 0.00 173.24 178.78 2gbx h PHE 404 N 4.63 0.00 -1.23 3.44 -0.00 -1.70 -3.31 116.94 118.77 2gbx h PHE 404 Ca -0.33 0.00 -0.70 0.00 -0.00 0.00 0.00 57.97 56.94 2gbx h PHE 404 Cb 1.21 0.00 -0.11 0.00 -0.00 0.00 0.00 35.95 37.05 2gbx h PHE 404 CO 0.65 0.27 2.00 -0.89 -0.00 0.00 0.00 178.31 180.33 2gbx n ILE 405 N -3.30 4.03 -3.47 0.88 5.41 -1.26 -3.99 119.36 117.66 2gbx n ILE 405 Ca 0.01 -4.25 -0.03 0.00 1.00 0.00 0.00 62.75 59.49 2gbx n ILE 405 Cb 0.52 -2.40 -0.00 0.00 -0.71 0.00 0.00 39.64 37.05 2gbx n ILE 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2gbx n GLY 406 N 4.81 2.41 1.45 7.39 0.00 -1.24 -4.90 105.19 115.11 2gbx n GLY 406 Ca 0.45 -1.28 0.03 0.00 0.00 0.00 0.00 46.02 45.23 2gbx n GLY 406 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gbx n GLU 407 N -0.13 0.51 -0.15 1.61 1.02 -0.58 -4.70 120.64 118.22 2gbx n GLU 407 Ca -0.01 -2.41 -0.09 0.00 -0.02 0.00 0.00 57.16 54.63 2gbx n GLU 407 Cb 0.14 -0.48 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 2gbx n GLU 407 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2gbx h THR 408 N 5.67 1.21 -0.39 2.62 2.02 -1.90 -1.56 112.91 120.59 2gbx h THR 408 Ca -0.17 -0.69 -0.11 0.00 0.77 0.00 0.00 66.41 66.21 2gbx h THR 408 Cb 1.67 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 2gbx h THR 408 CO 0.10 0.25 -0.21 0.28 0.37 0.00 0.00 175.52 176.31 2gbx h SER 409 N 0.58 0.76 0.16 4.18 0.02 -1.87 -0.92 113.55 116.45 2gbx h SER 409 Ca 0.15 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2gbx h SER 409 Cb 0.23 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2gbx h SER 409 CO -0.01 0.96 -0.17 1.88 -1.14 0.00 0.00 176.83 178.35 2gbx h TYR 410 N 0.66 -0.44 -0.07 3.45 -1.99 -1.86 0.92 116.97 117.64 2gbx h TYR 410 Ca 0.09 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.84 2gbx h TYR 410 Cb 0.71 0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.60 2gbx h TYR 410 CO 0.04 -0.26 -0.03 0.00 -0.00 0.00 0.00 178.16 177.91 2gbx h ARG 411 N -0.36 -0.01 -0.09 4.88 3.08 -1.17 -2.29 114.38 118.40 2gbx h ARG 411 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 2gbx h ARG 411 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2gbx h ARG 411 CO -0.05 -0.01 -0.15 0.78 -1.07 0.00 0.00 179.97 179.47 2gbx h GLY 412 N -0.01 0.16 0.66 0.04 0.00 -1.06 0.12 103.07 102.98 2gbx h GLY 412 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2gbx h GLY 412 CO -0.08 0.09 -0.10 -2.75 0.00 0.00 0.00 176.54 173.70 2gbx h PHE 413 N 0.14 -0.26 0.00 5.60 3.57 -0.59 -2.87 116.94 122.53 2gbx h PHE 413 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2gbx h PHE 413 Cb 0.36 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2gbx h PHE 413 CO 0.00 0.08 0.00 1.88 -2.23 0.00 0.00 178.31 178.04 2gbx h TYR 414 N -0.62 0.00 -0.06 0.41 0.05 -1.26 -1.54 116.97 113.96 2gbx h TYR 414 Ca -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 2gbx h TYR 414 Cb 0.45 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 2gbx h TYR 414 CO 0.03 0.00 -0.02 -0.09 -1.05 0.00 0.00 178.16 177.03 2gbx h ARG 415 N 0.00 0.11 -0.13 4.88 2.43 -0.77 -1.00 114.38 119.91 2gbx h ARG 415 Ca 0.00 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 2gbx h ARG 415 Cb 0.67 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2gbx h ARG 415 CO 0.00 0.49 -0.44 0.35 -1.51 0.00 0.00 179.97 178.86 2gbx h PHE 416 N -0.26 0.36 -0.51 2.20 3.57 -1.44 -2.01 116.94 118.86 2gbx h PHE 416 Ca 0.01 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.42 2gbx h PHE 416 Cb 0.45 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2gbx h PHE 416 CO 0.06 0.70 0.33 2.35 -2.23 0.00 0.00 178.31 179.52 2gbx h TRP 417 N 0.25 0.62 -0.61 0.41 7.01 -1.25 -0.87 115.95 121.51 2gbx h TRP 417 Ca 0.02 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 60.97 2gbx h TRP 417 Cb 0.88 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.71 2gbx h TRP 417 CO 0.02 0.38 0.14 -0.22 -2.79 0.00 0.00 178.44 175.97 2gbx h LYS 418 N 0.67 0.96 -0.66 2.65 3.64 -1.02 -1.79 116.57 121.02 2gbx h LYS 418 Ca 0.19 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2gbx h LYS 418 Cb -0.06 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 2gbx h LYS 418 CO -0.05 0.86 0.20 1.49 -2.27 0.00 0.00 179.45 179.68 2gbx h GLU 419 N 0.92 1.03 -0.24 1.90 4.81 -0.90 -1.33 114.58 120.75 2gbx h GLU 419 Ca 0.20 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 59.05 2gbx h GLU 419 Cb 0.34 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2gbx h GLU 419 CO 0.00 0.90 -0.43 0.52 -0.73 0.00 0.00 179.01 179.28 2gbx h MET 420 N 0.96 0.72 -0.07 1.92 2.86 -1.04 -1.82 114.93 118.46 2gbx h MET 420 Ca 0.21 -0.45 -0.10 0.00 -2.06 0.00 0.00 59.70 57.30 2gbx h MET 420 Cb 0.31 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2gbx h MET 420 CO -0.01 1.07 -0.42 0.82 1.06 0.00 0.00 176.91 179.44 2gbx h ILE 421 N 0.45 1.31 0.21 -1.22 1.08 -1.26 -3.24 117.51 114.85 2gbx h ILE 421 Ca 0.02 -1.51 -0.32 0.00 -0.39 0.00 0.00 64.86 62.65 2gbx h ILE 421 Cb 1.03 1.73 0.02 0.00 -3.07 0.00 0.00 36.82 36.53 2gbx h ILE 421 CO 0.10 0.44 -1.49 0.44 -0.69 0.00 0.00 178.15 176.95 2gbx h ASP 422 N 0.13 0.69 -3.62 1.72 5.19 -1.27 -3.46 116.42 115.79 2gbx h ASP 422 Ca 0.01 -0.93 -0.52 0.00 -0.62 0.00 0.00 57.03 54.98 2gbx h ASP 422 Cb 0.80 -0.23 0.03 0.00 0.18 0.00 0.00 39.33 40.11 2gbx h ASP 422 CO 0.06 1.70 0.57 0.00 -3.12 0.00 0.00 179.24 178.45 2gbx s ALA 423 N -2.56 3.46 -0.84 3.45 0.00 -0.69 -4.95 121.76 119.63 2gbx s ALA 423 Ca -0.13 1.03 0.27 0.00 0.00 0.00 0.00 51.96 53.13 2gbx s ALA 423 Cb 0.04 -3.42 0.90 0.00 0.00 0.00 0.00 23.12 20.64 2gbx s ALA 423 CO 0.89 -0.40 1.76 -0.35 0.00 0.00 0.00 175.76 177.66 2gbx n PRO 424 N 1.85 0.15 -3.83 0.00 -0.04 -1.26 -4.89 135.00 126.98 2gbx n PRO 424 Ca 0.02 0.11 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 2gbx n PRO 424 Cb 0.44 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2gbx n PRO 424 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2gbx s ASP 425 N -3.84 -0.12 0.46 3.54 -4.77 -1.26 -5.04 116.67 105.64 2gbx s ASP 425 Ca 0.11 -0.84 0.21 0.00 -3.30 0.00 0.00 52.55 48.73 2gbx s ASP 425 Cb 0.15 0.75 1.11 0.00 -1.09 0.00 0.00 42.92 43.85 2gbx s ASP 425 CO 0.59 -1.45 1.96 -0.50 0.70 0.00 0.00 175.17 176.47 2gbx h TRP 426 N 2.00 0.00 -0.65 2.11 4.06 -1.93 -2.78 115.95 118.77 2gbx h TRP 426 Ca -0.26 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.64 2gbx h TRP 426 Cb 1.25 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.38 2gbx h TRP 426 CO 0.92 0.22 0.22 0.00 -3.56 0.00 0.00 178.44 176.24 2gbx h ALA 427 N 1.78 1.17 0.00 1.49 0.00 -1.96 -0.27 119.26 121.47 2gbx h ALA 427 Ca -0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2gbx h ALA 427 Cb 0.49 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2gbx h ALA 427 CO 0.03 0.58 -0.61 0.77 0.00 0.00 0.00 179.25 180.03 2gbx h SER 428 N 0.94 0.00 0.14 0.00 0.02 -1.91 -3.05 113.55 109.69 2gbx h SER 428 Ca 0.21 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2gbx h SER 428 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2gbx h SER 428 CO -0.01 0.61 -0.07 0.58 -1.14 0.00 0.00 176.83 176.80 2gbx h VAL 429 N 0.00 1.03 0.00 2.27 2.07 -1.29 -3.26 116.25 117.07 2gbx h VAL 429 Ca -0.01 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2gbx h VAL 429 Cb 1.10 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2gbx h VAL 429 CO 0.08 0.22 0.00 0.11 0.02 0.00 0.00 177.57 178.00 2gbx h LYS 430 N -0.68 0.00 0.00 1.57 1.57 -1.09 -1.33 116.57 116.61 2gbx h LYS 430 Ca -0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2gbx h LYS 430 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 2gbx h LYS 430 CO 0.03 0.00 -0.11 0.00 -0.57 0.00 0.00 179.45 178.80 2gbx h ALA 431 N 2.01 1.08 -0.47 3.86 0.00 -1.57 -3.10 119.26 121.07 2gbx h ALA 431 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2gbx h ALA 431 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2gbx h ALA 431 CO 0.00 0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.47 2gbx n ASN 432 N -3.33 3.01 0.01 0.00 3.02 -0.50 -4.49 115.26 112.97 2gbx n ASN 432 Ca -0.00 -2.15 0.13 0.00 -0.03 0.00 0.00 54.58 52.53 2gbx n ASN 432 Cb 0.31 -0.40 0.58 0.00 -0.61 0.00 0.00 39.78 39.66 2gbx n ASN 432 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2gbx h ASP 433 N 2.83 0.20 0.13 6.41 5.19 -1.71 -1.39 116.42 128.08 2gbx h ASP 433 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2gbx h ASP 433 Cb 0.86 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.33 2gbx h ASP 433 CO 0.08 0.12 -1.19 0.47 -3.12 0.00 0.00 179.24 175.61 2gbx n ASP 434 N -4.46 0.67 -1.15 6.45 9.92 -1.26 -4.50 116.55 122.22 2gbx n ASP 434 Ca 0.07 -0.56 0.04 0.00 -0.53 0.00 0.00 54.79 53.81 2gbx n ASP 434 Cb 0.38 1.12 0.11 0.00 -0.64 0.00 0.00 41.12 42.09 2gbx n ASP 434 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2gbx n THR 435 N -1.77 1.23 0.12 -3.53 -2.24 -0.88 -4.81 114.28 102.40 2gbx n THR 435 Ca 0.02 -2.31 -0.22 0.00 -2.27 0.00 0.00 64.05 59.27 2gbx n THR 435 Cb 0.41 0.32 -0.14 0.00 -2.10 0.00 0.00 70.33 68.82 2gbx n THR 435 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 2gbx h TRP 436 N 1.12 0.93 -0.71 4.78 5.08 -1.50 -3.33 115.95 122.32 2gbx h TRP 436 Ca -0.09 -0.63 -0.24 0.00 1.08 0.00 0.00 58.89 59.01 2gbx h TRP 436 Cb 1.43 -0.06 -0.14 0.00 -3.00 0.00 0.00 29.16 27.39 2gbx h TRP 436 CO 0.50 1.48 0.31 -0.40 -1.28 0.00 0.00 178.44 179.05 2gbx n ASP 437 N -3.73 4.41 0.21 0.11 5.75 -1.26 -4.16 116.55 117.88 2gbx n ASP 437 Ca -0.14 -3.14 0.10 0.00 -0.01 0.00 0.00 54.79 51.60 2gbx n ASP 437 Cb 1.04 -0.74 0.32 0.00 -1.03 0.00 0.00 41.12 40.71 2gbx n ASP 437 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2gbx h SER 438 N 2.15 0.00 0.44 -1.12 4.64 -1.92 -3.07 113.55 114.68 2gbx h SER 438 Ca 0.30 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.59 2gbx h SER 438 Cb 2.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.35 2gbx h SER 438 CO 0.72 0.18 -0.12 -0.37 -0.87 0.00 0.00 176.83 176.38 2gbx h VAL 439 N 0.00 0.52 -2.86 0.95 -1.51 -1.86 -3.36 116.25 108.13 2gbx h VAL 439 Ca -0.00 -0.58 -0.65 0.00 -1.23 0.00 0.00 66.70 64.24 2gbx h VAL 439 Cb 0.92 1.39 -0.16 0.00 -2.13 0.00 0.00 31.29 31.31 2gbx h VAL 439 CO 0.02 0.12 0.39 -0.36 -1.23 0.00 0.00 177.57 176.51 2gbx s PHE 440 N -4.11 2.81 -0.11 5.19 0.08 -1.16 -4.89 117.98 115.78 2gbx s PHE 440 Ca -0.02 -0.57 0.14 0.00 0.12 0.00 0.00 56.93 56.60 2gbx s PHE 440 Cb 0.13 -4.10 0.01 0.00 -0.57 0.00 0.00 43.02 38.48 2gbx s PHE 440 CO 0.58 -1.45 1.39 -1.00 -0.10 0.00 0.00 175.22 174.64 2gbx h PRO 441 N 9.37 0.00 -5.88 0.24 0.13 -1.84 -3.42 132.00 130.61 2gbx h PRO 441 Ca -0.28 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.35 2gbx h PRO 441 Cb 1.08 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.13 2gbx h PRO 441 CO 1.12 0.57 1.35 1.21 -0.23 0.00 0.00 178.00 182.02 2gbx s ASN 442 N -6.46 5.99 0.04 1.44 3.84 -1.26 -4.77 114.94 113.75 2gbx s ASN 442 Ca 0.03 -1.42 -0.18 0.00 0.21 0.00 0.00 52.86 51.50 2gbx s ASN 442 Cb 0.08 -2.57 -0.22 0.00 -0.55 0.00 0.00 41.25 37.99 2gbx s ASN 442 CO 0.76 -2.00 1.16 0.03 -2.79 0.00 0.00 177.10 174.27 2gbx h ARG 443 N 9.84 0.53 -1.26 0.43 2.47 -1.87 -3.34 114.38 121.19 2gbx h ARG 443 Ca 0.22 -0.52 -0.54 0.00 -1.26 0.00 0.00 59.98 57.87 2gbx h ARG 443 Cb 0.98 0.14 -0.23 0.00 -1.65 0.00 0.00 29.97 29.21 2gbx h ARG 443 CO 1.35 1.15 0.69 0.09 0.56 0.00 0.00 179.97 183.81 2gbx n ASN 444 N -4.12 7.20 -0.06 7.04 5.03 -1.26 -4.59 115.26 124.50 2gbx n ASN 444 Ca -0.10 -3.49 -0.04 0.00 0.87 0.00 0.00 54.58 51.82 2gbx n ASN 444 Cb 0.71 -1.02 -0.04 0.00 -1.02 0.00 0.00 39.78 38.41 2gbx n ASN 444 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2gbx h PHE 445 N 1.85 0.00 0.00 3.10 3.57 -1.89 -3.31 116.94 120.26 2gbx h PHE 445 Ca 0.48 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.87 2gbx h PHE 445 Cb 0.83 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 2gbx h PHE 445 CO 1.18 0.29 -0.50 -1.49 -2.23 0.00 0.00 178.31 175.56 2gbx h TRP 446 N -1.00 0.00 -0.61 0.41 4.06 -1.82 -1.68 115.95 115.31 2gbx h TRP 446 Ca -0.01 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.88 2gbx h TRP 446 Cb 0.32 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.45 2gbx h TRP 446 CO 0.06 0.50 0.14 -0.91 -3.56 0.00 0.00 178.44 174.66 2gbx h ASN 447 N 0.00 0.91 0.43 -3.49 -0.26 -1.88 -0.66 115.58 110.63 2gbx h ASN 447 Ca -0.00 -0.18 -0.19 0.00 -0.56 0.00 0.00 56.30 55.36 2gbx h ASN 447 Cb 0.98 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 38.00 2gbx h ASN 447 CO 0.06 0.89 -0.82 -0.33 -1.06 0.00 0.00 177.43 176.18 2gbx h GLU 448 N 0.92 0.29 -0.08 0.81 5.08 -1.58 -3.01 114.58 117.01 2gbx h GLU 448 Ca 0.20 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2gbx h GLU 448 Cb 0.35 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2gbx h GLU 448 CO 0.00 0.96 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.64 2gbx h LYS 449 N 0.18 0.22 -0.26 2.33 1.63 -1.08 -2.53 116.57 117.05 2gbx h LYS 449 Ca -0.04 -0.12 -0.11 0.00 -0.85 0.00 0.00 60.65 59.52 2gbx h LYS 449 Cb 1.42 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 33.05 2gbx h LYS 449 CO 0.13 0.68 -0.27 -0.07 -3.45 0.00 0.00 179.45 176.47 2gbx h LEU 450 N -0.23 0.68 -0.90 5.20 3.38 -1.25 -2.30 115.31 119.89 2gbx h LEU 450 Ca 0.01 -0.48 -0.11 0.00 0.09 0.00 0.00 57.88 57.39 2gbx h LEU 450 Cb 0.65 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2gbx h LEU 450 CO 0.03 1.02 -0.43 0.78 0.09 0.00 0.00 178.44 179.92 2gbx h ASN 451 N 0.35 0.26 -0.21 -0.43 4.21 -1.64 -3.02 115.58 115.10 2gbx h ASN 451 Ca 0.04 -0.11 -0.17 0.00 1.21 0.00 0.00 56.30 57.27 2gbx h ASN 451 Cb 0.84 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.96 2gbx h ASN 451 CO 0.07 0.66 -0.50 0.00 -1.29 0.00 0.00 177.43 176.37 2gbx h ALA 452 N 1.35 0.58 -2.35 -0.83 0.00 -1.45 -3.45 119.26 113.11 2gbx h ALA 452 Ca 0.02 -0.50 -0.49 0.00 0.00 0.00 0.00 54.91 53.94 2gbx h ALA 452 Cb 0.85 -0.09 0.13 0.00 0.00 0.00 0.00 17.79 18.68 2gbx h ALA 452 CO 0.07 0.68 0.29 0.00 0.00 0.00 0.00 179.25 180.29 2gbx s ALA 453 N -4.17 1.96 0.00 0.00 0.00 -0.87 -5.10 121.76 113.58 2gbx s ALA 453 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2gbx s ALA 453 Cb 0.11 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2gbx s ALA 453 CO 0.87 -1.99 0.00 -0.85 0.00 0.00 0.00 175.76 173.80