#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2igq s ARG 977 N 0.00 4.58 -0.32 5.31 0.52 -0.51 -4.89 118.95 123.64 2igq s ARG 977 Ca 0.00 1.22 -0.27 0.00 -0.52 0.00 0.00 55.73 56.16 2igq s ARG 977 Cb 0.00 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 32.12 2igq s ARG 977 CO 0.00 0.28 0.97 0.42 0.02 0.00 0.00 175.30 176.99 2igq s ILE 978 N -0.11 4.60 -1.92 1.52 1.01 -1.26 -0.49 121.20 124.55 2igq s ILE 978 Ca 0.41 1.50 0.20 0.00 0.00 0.00 0.00 60.65 62.76 2igq s ILE 978 Cb -0.22 -4.33 0.02 0.00 0.01 0.00 0.00 42.46 37.94 2igq s ILE 978 CO 0.26 -0.43 1.01 1.33 0.00 0.00 0.00 174.94 177.11 2igq n VAL 979 N 5.79 0.00 -3.64 2.92 0.24 -0.01 -4.94 118.33 118.70 2igq n VAL 979 Ca 0.09 -0.32 -0.10 0.00 -2.04 0.00 0.00 64.34 61.97 2igq n VAL 979 Cb 0.47 1.26 -0.07 0.00 -1.47 0.00 0.00 33.84 34.04 2igq n VAL 979 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2igq s SER 980 N -2.16 -0.72 0.28 -1.34 0.15 -1.04 -4.56 113.70 104.31 2igq s SER 980 Ca 0.17 1.28 -0.02 0.00 0.70 0.00 0.00 55.95 58.09 2igq s SER 980 Cb 0.16 1.30 0.39 0.00 -1.71 0.00 0.00 66.02 66.16 2igq s SER 980 CO 0.47 -0.21 1.87 -0.09 1.20 0.00 0.00 173.24 176.47 2igq h ARG 981 N 5.47 0.95 -0.40 5.44 2.43 -1.90 -1.47 114.38 124.90 2igq h ARG 981 Ca -0.29 -0.14 0.22 0.00 -0.81 0.00 0.00 59.98 58.95 2igq h ARG 981 Cb 1.18 -0.17 -0.21 0.00 -0.42 0.00 0.00 29.97 30.36 2igq h ARG 981 CO 0.11 0.76 0.06 0.34 -1.51 0.00 0.00 179.97 179.73 2igq s ASP 982 N -6.47 -0.57 0.22 -3.80 2.15 -1.26 -3.42 116.67 103.53 2igq s ASP 982 Ca -0.11 0.31 0.23 0.00 0.43 0.00 0.00 52.55 53.42 2igq s ASP 982 Cb 0.16 1.46 0.93 0.00 -0.30 0.00 0.00 42.92 45.17 2igq s ASP 982 CO 0.80 -0.11 1.70 2.30 -0.17 0.00 0.00 175.17 179.70 2igq n ILE 983 N 5.43 0.79 1.20 4.11 -5.35 -0.33 -2.62 119.36 122.58 2igq n ILE 983 Ca -0.04 0.15 0.13 0.00 -0.27 0.00 0.00 62.75 62.71 2igq n ILE 983 Cb 0.54 -1.04 0.30 0.00 -1.74 0.00 0.00 39.64 37.70 2igq n ILE 983 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2igq n ALA 984 N -1.74 3.19 -3.85 -1.28 0.00 -1.26 -4.83 120.51 110.73 2igq n ALA 984 Ca 0.03 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 52.74 2igq n ALA 984 Cb 0.26 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.67 2igq n ALA 984 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2igq n ARG 985 N -0.56 -5.87 -0.95 0.00 1.74 -1.08 -1.81 116.66 108.13 2igq n ARG 985 Ca 0.11 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 2igq n ARG 985 Cb 0.37 -5.53 0.00 0.00 -1.02 0.00 0.00 32.46 26.28 2igq n ARG 985 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2igq n GLY 986 N -1.73 0.93 0.02 -0.13 0.00 -1.26 -4.92 105.19 98.09 2igq n GLY 986 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 2igq n GLY 986 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2igq n TYR 987 N -2.10 0.14 -4.09 1.61 4.02 -0.75 -4.77 117.16 111.21 2igq n TYR 987 Ca 0.00 0.05 -0.22 0.00 -0.01 0.00 0.00 57.90 57.72 2igq n TYR 987 Cb 0.00 -0.58 -0.04 0.00 -0.02 0.00 0.00 39.34 38.70 2igq n TYR 987 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2igq s GLU 988 N -3.03 3.00 0.54 -0.72 0.41 -1.26 -4.94 118.70 112.69 2igq s GLU 988 Ca 0.10 -1.01 0.24 0.00 -0.41 0.00 0.00 54.97 53.89 2igq s GLU 988 Cb 0.14 -2.61 1.42 0.00 -1.78 0.00 0.00 34.13 31.29 2igq s GLU 988 CO 0.41 0.41 2.05 0.00 -0.49 0.00 0.00 175.26 177.64 2igq h ARG 989 N 1.45 0.00 -6.05 1.61 3.08 -1.86 -3.42 114.38 109.18 2igq h ARG 989 Ca -0.49 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 58.99 2igq h ARG 989 Cb 1.24 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.04 2igq h ARG 989 CO 0.61 0.00 -0.83 -1.50 -1.07 0.00 0.00 179.97 177.17 2igq s ILE 990 N -4.95 1.64 0.60 2.04 1.10 -1.26 -5.10 121.20 115.26 2igq s ILE 990 Ca -0.05 -1.26 -0.17 0.00 -0.51 0.00 0.00 60.65 58.66 2igq s ILE 990 Cb 0.18 -1.44 -0.03 0.00 0.15 0.00 0.00 42.46 41.32 2igq s ILE 990 CO 0.68 0.13 1.08 -2.16 -2.11 0.00 0.00 174.94 172.57 2igq s PRO 991 N -1.34 3.20 -0.54 3.50 0.04 -1.26 -4.95 135.00 133.65 2igq s PRO 991 Ca 0.07 1.35 0.04 0.00 0.04 0.00 0.00 61.00 62.50 2igq s PRO 991 Cb -0.09 -2.01 0.13 0.00 0.04 0.00 0.00 34.50 32.58 2igq s PRO 991 CO 0.02 -0.93 0.29 0.42 0.04 0.00 0.00 177.00 176.84 2igq s ILE 992 N -2.26 2.61 0.76 0.56 1.01 -1.26 -4.57 121.20 118.04 2igq s ILE 992 Ca 0.67 -3.43 -0.12 0.00 0.00 0.00 0.00 60.65 57.76 2igq s ILE 992 Cb -0.19 -2.80 0.05 0.00 0.01 0.00 0.00 42.46 39.54 2igq s ILE 992 CO 0.35 -0.83 1.11 -2.16 0.00 0.00 0.00 174.94 173.41 2igq s PRO 993 N -0.43 2.25 -0.14 2.79 0.05 -1.22 -1.19 135.00 137.11 2igq s PRO 993 Ca 0.18 1.30 -0.00 0.00 0.05 0.00 0.00 61.00 62.52 2igq s PRO 993 Cb -0.23 -1.89 -0.01 0.00 0.05 0.00 0.00 34.50 32.42 2igq s PRO 993 CO -0.02 -1.67 -0.13 0.00 0.05 0.00 0.00 177.00 175.23 2igq s VAL 995 N 0.43 1.98 -0.17 0.00 -7.23 0.48 -0.83 120.40 115.06 2igq s VAL 995 Ca -0.10 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 57.98 2igq s VAL 995 Cb -0.16 -1.98 0.06 0.00 0.56 0.00 0.00 36.38 34.86 2igq s VAL 995 CO 0.05 -0.33 0.09 0.21 -0.31 0.00 0.00 175.10 174.81 2igq s ASN 996 N -2.87 2.28 -0.11 4.85 3.84 0.35 -2.63 114.94 120.65 2igq s ASN 996 Ca 0.19 -0.58 0.14 0.00 0.21 0.00 0.00 52.86 52.83 2igq s ASN 996 Cb -0.05 -0.22 0.30 0.00 -0.55 0.00 0.00 41.25 40.73 2igq s ASN 996 CO 0.08 -0.35 1.20 0.00 -2.79 0.00 0.00 177.10 175.25 2igq n ALA 997 N 5.28 2.39 0.00 1.71 0.00 -1.26 -1.42 120.51 127.22 2igq n ALA 997 Ca -0.07 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.23 2igq n ALA 997 Cb 0.49 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2igq n ALA 997 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2igq n VAL 998 N -0.88 0.00 -3.10 0.00 0.31 -1.26 -4.70 118.33 108.70 2igq n VAL 998 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2igq n VAL 998 Cb 0.62 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 2igq n VAL 998 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2igq n ASP 999 N -2.45 0.00 -1.38 4.52 5.68 -1.26 -5.06 116.55 116.60 2igq n ASP 999 Ca 0.00 -0.57 0.11 0.00 -0.50 0.00 0.00 54.79 53.84 2igq n ASP 999 Cb 0.47 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.78 2igq n ASP 999 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2igq n SER 1000N -1.17 4.01 -4.70 -1.12 3.41 -1.26 -4.95 113.62 107.84 2igq n SER 1000Ca 0.00 -2.05 -0.44 0.00 -0.26 0.00 0.00 58.87 56.12 2igq n SER 1000Cb 0.00 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.42 2igq n SER 1000CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2igq n GLU 1001N 1.59 2.46 -1.91 4.33 -0.58 -1.26 -5.01 120.64 120.26 2igq n GLU 1001Ca 0.25 0.88 -0.29 0.00 -0.42 0.00 0.00 57.16 57.58 2igq n GLU 1001Cb 0.65 -2.66 0.08 0.00 -0.57 0.00 0.00 31.44 28.94 2igq n GLU 1001CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2igq s PRO 1002N 0.44 2.22 0.01 3.49 0.04 -1.26 -4.94 135.00 135.00 2igq s PRO 1002Ca 0.72 0.20 -0.38 0.00 0.04 0.00 0.00 61.00 61.58 2igq s PRO 1002Cb -0.58 -1.98 -0.18 0.00 0.04 0.00 0.00 34.50 31.81 2igq s PRO 1002CO 0.40 -1.43 1.32 0.00 0.04 0.00 0.00 177.00 177.33 2igq n PRO 1004N 2.57 1.88 -0.48 0.00 -0.02 -1.26 -4.89 135.00 132.81 2igq n PRO 1004Ca 0.20 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2igq n PRO 1004Cb 0.15 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2igq n PRO 1004CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2igq n SER 1005N 1.57 0.00 -1.49 2.55 3.41 -1.26 -4.85 113.62 113.55 2igq n SER 1005Ca 0.09 -1.67 0.02 0.00 -0.26 0.00 0.00 58.87 57.05 2igq n SER 1005Cb 0.32 -0.13 0.25 0.00 -0.26 0.00 0.00 64.21 64.39 2igq n SER 1005CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2igq n ASN 1006N 0.00 4.12 -3.85 4.04 6.94 -1.26 -4.88 115.26 120.36 2igq n ASN 1006Ca 0.00 -2.69 -0.09 0.00 -0.02 0.00 0.00 54.58 51.78 2igq n ASN 1006Cb 0.63 -0.64 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 2igq n ASN 1006CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2igq s TYR 1007N -2.19 0.17 -0.27 -2.53 -0.85 -1.26 -4.89 117.35 105.53 2igq s TYR 1007Ca 0.37 -0.56 -0.11 0.00 -0.52 0.00 0.00 57.07 56.25 2igq s TYR 1007Cb 0.29 0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.59 2igq s TYR 1007CO 0.10 -0.64 0.18 0.21 -1.52 0.00 0.00 175.55 173.88 2igq s LYS 1008N -3.89 3.99 -0.10 -3.49 2.47 0.06 -5.01 119.74 113.77 2igq s LYS 1008Ca 0.09 -0.30 -0.30 0.00 -1.56 0.00 0.00 55.97 53.90 2igq s LYS 1008Cb 0.04 -3.63 -0.03 0.00 -1.46 0.00 0.00 37.83 32.75 2igq s LYS 1008CO -0.07 -0.11 1.38 -0.47 0.16 0.00 0.00 175.35 176.24 2igq s TYR 1009N 1.56 2.65 -0.03 4.03 5.04 -1.26 -2.23 117.35 127.12 2igq s TYR 1009Ca 0.07 0.78 0.05 0.00 -2.44 0.00 0.00 57.07 55.53 2igq s TYR 1009Cb -0.15 -3.63 -0.01 0.00 0.35 0.00 0.00 41.96 38.52 2igq s TYR 1009CO 0.09 -2.36 -0.17 0.14 -1.34 0.00 0.00 175.55 171.91 2igq s VAL 1010N 3.33 1.36 -0.80 3.14 -7.23 -0.59 -4.93 120.40 114.68 2igq s VAL 1010Ca 0.61 -0.71 0.25 0.00 -1.81 0.00 0.00 61.98 60.33 2igq s VAL 1010Cb -0.27 -1.15 0.06 0.00 0.56 0.00 0.00 36.38 35.59 2igq s VAL 1010CO 0.21 0.39 1.43 -1.54 -0.31 0.00 0.00 175.10 175.28 2igq n SER 1011N 2.89 0.57 -4.14 4.85 3.41 -1.26 -3.54 113.62 116.40 2igq n SER 1011Ca -0.16 0.06 -0.15 0.00 -0.26 0.00 0.00 58.87 58.36 2igq n SER 1011Cb 0.54 0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.45 2igq n SER 1011CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2igq s GLN 1012N -3.09 0.75 0.46 4.33 -0.21 -1.26 -4.99 119.66 115.66 2igq s GLN 1012Ca 0.09 -1.00 -0.23 0.00 0.02 0.00 0.00 55.36 54.23 2igq s GLN 1012Cb 0.15 -0.54 -0.09 0.00 1.00 0.00 0.00 33.01 33.54 2igq s GLN 1012CO 0.69 0.10 1.05 0.09 -2.12 0.00 0.00 175.29 175.10 2igq n ASN 1013N 0.97 1.41 -4.36 5.90 5.03 -1.26 -4.76 115.26 118.20 2igq n ASN 1013Ca -0.19 1.00 -0.18 0.00 0.87 0.00 0.00 54.58 56.07 2igq n ASN 1013Cb 0.56 -1.39 -0.10 0.00 -1.02 0.00 0.00 39.78 37.82 2igq n ASN 1013CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2igq s VAL 1015N -3.60 1.56 0.00 0.00 -7.23 -1.26 -1.34 120.40 108.52 2igq s VAL 1015Ca 0.37 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2igq s VAL 1015Cb 0.08 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.89 2igq s VAL 1015CO 0.14 -0.53 0.00 0.35 -0.31 0.00 0.00 175.10 174.75 2igq n THR 1016N -0.40 0.00 -1.61 5.32 -2.24 -1.26 -5.00 114.28 109.08 2igq n THR 1016Ca -0.07 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.27 2igq n THR 1016Cb 0.61 -0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 2igq n THR 1016CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2igq n SER 1017N -0.48 1.56 -4.75 3.42 7.64 -1.26 -4.88 113.62 114.87 2igq n SER 1017Ca 0.00 1.16 -0.41 0.00 1.01 0.00 0.00 58.87 60.63 2igq n SER 1017Cb 0.00 -1.34 -0.01 0.00 -1.01 0.00 0.00 64.21 61.85 2igq n SER 1017CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2igq s PRO 1018N -1.69 4.12 -0.21 1.43 0.04 -1.26 -4.99 135.00 132.44 2igq s PRO 1018Ca 0.59 2.58 -0.03 0.00 0.04 0.00 0.00 61.00 64.18 2igq s PRO 1018Cb -0.65 -3.02 -0.00 0.00 0.04 0.00 0.00 34.50 30.87 2igq s PRO 1018CO 0.60 -0.62 -0.08 -1.64 0.04 0.00 0.00 177.00 175.30 2igq s MET 1019N -0.69 3.30 -1.13 4.56 -1.94 -1.26 -5.02 119.30 117.11 2igq s MET 1019Ca 0.62 -0.67 -0.08 0.00 -1.71 0.00 0.00 55.69 53.85 2igq s MET 1019Cb -0.48 -2.91 -0.08 0.00 2.01 0.00 0.00 34.83 33.37 2igq s MET 1019CO 0.50 -0.19 3.00 0.27 -0.01 0.00 0.00 175.02 178.59 2igq n ASN 1020N 4.74 7.70 -4.70 3.03 6.94 -1.26 -4.93 115.26 126.78 2igq n ASN 1020Ca -0.19 -2.69 -0.43 0.00 -0.02 0.00 0.00 54.58 51.25 2igq n ASN 1020Cb 0.51 -1.47 -0.03 0.00 -2.36 0.00 0.00 39.78 36.42 2igq n ASN 1020CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2igq n ILE 1021N 2.82 0.01 -2.07 1.53 5.41 -1.26 -4.88 119.36 120.94 2igq n ILE 1021Ca 0.66 -0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.98 2igq n ILE 1021Cb 0.41 -1.85 -0.03 0.00 -0.71 0.00 0.00 39.64 37.46 2igq n ILE 1021CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2igq s ASP 1022N 1.15 5.92 -0.06 4.38 2.15 -1.26 -4.83 116.67 124.12 2igq s ASP 1022Ca 0.76 1.13 0.09 0.00 0.43 0.00 0.00 52.55 54.97 2igq s ASP 1022Cb -0.56 -2.53 0.18 0.00 -0.30 0.00 0.00 42.92 39.71 2igq s ASP 1022CO 0.34 -1.71 1.12 0.54 -0.17 0.00 0.00 175.17 175.29 2igq n ARG 1023N 8.43 2.45 -1.63 4.34 1.74 -1.26 -4.50 116.66 126.22 2igq n ARG 1023Ca 0.21 -2.03 -0.44 0.00 -0.77 0.00 0.00 57.85 54.82 2igq n ARG 1023Cb 0.47 -1.27 -0.04 0.00 -1.02 0.00 0.00 32.46 30.61 2igq n ARG 1023CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2igq n ASN 1024N -0.65 3.57 0.25 0.55 2.85 -1.26 -4.87 115.26 115.70 2igq n ASN 1024Ca 0.08 0.65 0.09 0.00 -0.11 0.00 0.00 54.58 55.30 2igq n ASN 1024Cb 0.45 -1.48 0.65 0.00 1.24 0.00 0.00 39.78 40.65 2igq n ASN 1024CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 2igq h ILE 1025N 6.20 0.91 0.00 -1.44 2.10 -1.97 -1.18 117.51 122.14 2igq h ILE 1025Ca -0.45 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.23 2igq h ILE 1025Cb 1.25 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 38.13 2igq h ILE 1025CO 0.95 0.07 0.00 0.35 -1.08 0.00 0.00 178.15 178.45 2igq n THR 1026N -4.25 0.62 1.35 2.19 -2.24 -1.26 -2.76 114.28 107.93 2igq n THR 1026Ca -0.03 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 61.93 2igq n THR 1026Cb 0.16 -0.83 0.60 0.00 -2.10 0.00 0.00 70.33 68.15 2igq n THR 1026CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2igq n HIS 1027N -1.93 0.00 -2.46 4.78 8.25 -0.45 -4.87 115.22 118.54 2igq n HIS 1027Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 2igq n HIS 1027Cb 0.30 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 2igq n HIS 1027CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2igq s LEU 1028N -2.56 4.39 0.29 2.41 1.43 -1.11 -4.93 118.68 118.61 2igq s LEU 1028Ca 0.26 2.01 -0.27 0.00 -1.03 0.00 0.00 54.13 55.10 2igq s LEU 1028Cb 0.20 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.74 2igq s LEU 1028CO 0.49 -0.41 0.95 -1.10 0.23 0.00 0.00 176.35 176.51 2igq s GLN 1029N 0.75 4.68 0.27 1.70 -0.21 -1.26 -5.07 119.66 120.53 2igq s GLN 1029Ca 0.56 1.40 -0.14 0.00 0.02 0.00 0.00 55.36 57.20 2igq s GLN 1029Cb -0.29 -2.97 0.01 0.00 1.00 0.00 0.00 33.01 30.76 2igq s GLN 1029CO 0.30 0.36 0.56 1.52 -2.12 0.00 0.00 175.29 175.91 2igq s TYR 1030N -1.46 0.29 0.37 0.91 -0.85 -1.26 -4.92 117.35 110.43 2igq s TYR 1030Ca 0.47 -0.69 0.08 0.00 -0.52 0.00 0.00 57.07 56.41 2igq s TYR 1030Cb -0.21 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 2igq s TYR 1030CO 0.27 -1.11 0.23 0.00 -1.52 0.00 0.00 175.55 173.42 2igq n VAL 1032N -1.30 1.81 -1.74 0.00 0.24 -1.26 -1.43 118.33 114.66 2igq n VAL 1032Ca -0.01 -2.32 -0.40 0.00 -2.04 0.00 0.00 64.34 59.57 2igq n VAL 1032Cb 0.62 -0.17 0.01 0.00 -1.47 0.00 0.00 33.84 32.83 2igq n VAL 1032CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2igq n ILE 1034N -0.11 0.00 -1.27 0.00 -5.35 -1.26 -4.04 119.36 107.33 2igq n ILE 1034Ca 0.05 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 2igq n ILE 1034Cb 0.40 1.33 0.00 0.00 -1.74 0.00 0.00 39.64 39.63 2igq n ILE 1034CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2igq n ASP 1035N 0.85 0.00 -2.04 7.28 5.75 -1.26 -5.03 116.55 122.11 2igq n ASP 1035Ca 0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.74 2igq n ASP 1035Cb 0.40 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.73 2igq n ASP 1035CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2igq n ASP 1036N 0.00 4.27 -2.97 -1.12 5.75 -1.26 -4.70 116.55 116.52 2igq n ASP 1036Ca 0.00 -3.29 -0.22 0.00 -0.01 0.00 0.00 54.79 51.27 2igq n ASP 1036Cb 0.00 -0.77 0.02 0.00 -1.03 0.00 0.00 41.12 39.34 2igq n ASP 1036CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2igq n SER 1038N -2.37 2.44 -4.92 0.00 3.41 -1.26 -4.60 113.62 106.31 2igq n SER 1038Ca -0.11 -1.72 -0.26 0.00 -0.26 0.00 0.00 58.87 56.51 2igq n SER 1038Cb 0.61 0.26 0.04 0.00 -0.26 0.00 0.00 64.21 64.86 2igq n SER 1038CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2igq s SER 1039N -2.26 5.47 0.42 4.04 1.04 -1.26 -4.96 113.70 116.19 2igq s SER 1039Ca 0.23 0.65 0.29 0.00 0.48 0.00 0.00 55.95 57.60 2igq s SER 1039Cb 0.19 -1.59 1.50 0.00 0.10 0.00 0.00 66.02 66.22 2igq s SER 1039CO 0.45 -1.14 1.88 0.77 0.98 0.00 0.00 173.24 176.18 2igq h SER 1040N -0.22 0.00 0.10 7.02 4.64 -2.03 -3.02 113.55 120.03 2igq h SER 1040Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2igq h SER 1040Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2igq h SER 1040CO 0.60 0.00 -0.35 0.59 -0.87 0.00 0.00 176.83 176.80 2igq n ASN 1041N -2.53 1.55 -4.63 4.97 4.13 -1.26 -4.90 115.26 112.59 2igq n ASN 1041Ca -0.01 -1.23 -0.44 0.00 1.68 0.00 0.00 54.58 54.59 2igq n ASN 1041Cb 0.09 0.29 -0.03 0.00 -1.54 0.00 0.00 39.78 38.59 2igq n ASN 1041CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2igq h MET 1043N 12.04 0.30 -0.14 0.00 2.86 -1.90 -1.38 114.93 126.70 2igq h MET 1043Ca -0.46 -0.02 -0.20 0.00 -2.06 0.00 0.00 59.70 56.97 2igq h MET 1043Cb 1.25 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2igq h MET 1043CO 0.95 0.20 -0.71 0.00 1.06 0.00 0.00 176.91 178.41 2igq h GLY 1045N 0.93 1.45 1.57 0.00 0.00 -1.63 -2.85 103.07 102.54 2igq h GLY 1045Ca -0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 2igq h GLY 1045CO 0.13 0.27 0.12 1.46 0.00 0.00 0.00 176.54 178.52 2igq h GLN 1046N 1.05 0.55 -0.07 4.80 1.08 -0.86 -1.71 115.11 119.94 2igq h GLN 1046Ca 0.42 -0.08 -0.10 0.00 -1.45 0.00 0.00 58.65 57.44 2igq h GLN 1046Cb 0.24 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2igq h GLN 1046CO -0.20 0.49 -0.41 -0.07 -0.95 0.00 0.00 178.83 177.69 2igq h LEU 1047N 0.54 0.16 -1.46 1.46 3.38 -1.21 -2.69 115.31 115.48 2igq h LEU 1047Ca 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2igq h LEU 1047Cb 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2igq h LEU 1047CO -0.01 0.56 0.00 -1.20 0.09 0.00 0.00 178.44 177.88 2igq n SER 1048N -4.03 2.12 0.00 -0.43 7.64 -0.75 -4.83 113.62 113.34 2igq n SER 1048Ca -0.02 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.75 2igq n SER 1048Cb 0.47 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2igq n SER 1048CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2igq n MET 1049N 0.40 0.00 -4.07 1.43 2.81 -1.02 -4.74 117.12 111.93 2igq n MET 1049Ca 0.11 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.90 2igq n MET 1049Cb 0.39 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.82 2igq n MET 1049CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 2igq s ARG 1050N 0.00 1.34 0.01 0.03 1.70 -0.72 -4.44 118.95 116.88 2igq s ARG 1050Ca 0.00 -1.39 -0.30 0.00 -0.47 0.00 0.00 55.73 53.57 2igq s ARG 1050Cb 0.00 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 2igq s ARG 1050CO 0.00 -0.50 1.28 0.00 -1.08 0.00 0.00 175.30 175.00 2igq n TRP 1052N 4.78 0.00 -3.62 0.00 7.02 -1.26 -4.91 117.44 119.44 2igq n TRP 1052Ca 0.11 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.22 2igq n TRP 1052Cb 0.45 -0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.27 2igq n TRP 1052CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 2igq s TYR 1053N -2.02 3.61 0.34 -5.99 2.02 -1.26 0.51 117.35 114.56 2igq s TYR 1053Ca 0.33 0.74 -0.02 0.00 -0.37 0.00 0.00 57.07 57.75 2igq s TYR 1053Cb 0.20 -2.21 0.07 0.00 -0.40 0.00 0.00 41.96 39.63 2igq s TYR 1053CO 0.33 0.55 0.46 -0.40 -1.57 0.00 0.00 175.55 174.92 2igq n ASP 1054N 2.39 0.40 0.30 2.29 5.68 -0.21 -4.90 116.55 122.51 2igq n ASP 1054Ca -0.15 -1.39 0.19 0.00 -0.50 0.00 0.00 54.79 52.93 2igq n ASP 1054Cb 0.53 -0.32 1.02 0.00 -1.14 0.00 0.00 41.12 41.21 2igq n ASP 1054CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2igq h LYS 1055N 0.00 0.00 -0.66 0.11 2.10 -1.96 -2.21 116.57 113.96 2igq h LYS 1055Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 2igq h LYS 1055Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2igq h LYS 1055CO 0.14 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.34 2igq n ASP 1056N -3.45 4.63 -0.62 7.07 8.00 -1.26 -4.95 116.55 125.97 2igq n ASP 1056Ca -0.02 -2.38 -0.08 0.00 0.71 0.00 0.00 54.79 53.02 2igq n ASP 1056Cb 0.14 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 2igq n ASP 1056CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2igq n GLY 1057N 1.19 0.98 3.85 0.44 0.00 -0.83 -5.04 105.19 105.78 2igq n GLY 1057Ca 0.26 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2igq n GLY 1057CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2igq s ARG 1058N -2.46 3.25 0.32 1.61 0.52 -1.26 -4.49 118.95 116.44 2igq s ARG 1058Ca 0.00 -0.41 -0.29 0.00 -0.52 0.00 0.00 55.73 54.51 2igq s ARG 1058Cb 0.00 -2.98 -0.11 0.00 0.52 0.00 0.00 34.95 32.39 2igq s ARG 1058CO 0.00 0.66 1.48 -0.51 0.02 0.00 0.00 175.30 176.94 2igq s LEU 1059N -1.90 4.36 0.68 2.53 1.43 0.57 -1.05 118.68 125.30 2igq s LEU 1059Ca 0.26 2.89 -0.17 0.00 -1.03 0.00 0.00 54.13 56.08 2igq s LEU 1059Cb -0.12 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2igq s LEU 1059CO 0.17 -0.79 1.18 0.18 0.23 0.00 0.00 176.35 177.32 2igq n LEU 1060N 1.37 5.10 0.23 1.79 4.77 0.18 -4.76 117.00 125.69 2igq n LEU 1060Ca 0.04 0.76 0.18 0.00 -0.03 0.00 0.00 56.01 56.96 2igq n LEU 1060Cb 0.39 -1.50 0.86 0.00 -2.33 0.00 0.00 43.42 40.84 2igq n LEU 1060CO 0.62 -1.39 1.15 -0.65 -1.33 0.00 0.00 177.39 175.80 2igq h PRO 1061N 0.17 0.00 0.00 3.23 0.11 -1.92 -1.06 132.00 132.54 2igq h PRO 1061Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2igq h PRO 1061Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2igq h PRO 1061CO 0.51 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.69 2igq n GLU 1062N -3.49 0.07 -1.68 1.05 4.71 -1.26 -4.86 120.64 115.18 2igq n GLU 1062Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.73 2igq n GLU 1062Cb 0.36 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.25 2igq n GLU 1062CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2igq n PHE 1063N -1.46 2.55 -2.47 -0.32 7.35 -0.40 -4.90 117.46 117.81 2igq n PHE 1063Ca 0.08 -0.16 -0.39 0.00 -0.76 0.00 0.00 57.45 56.22 2igq n PHE 1063Cb 0.32 -2.73 -0.03 0.00 0.35 0.00 0.00 39.48 37.39 2igq n PHE 1063CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2igq s ASN 1064N 3.15 6.19 0.63 -2.13 3.84 -1.26 -4.87 114.94 120.49 2igq s ASN 1064Ca 0.84 -1.07 0.40 0.00 0.21 0.00 0.00 52.86 53.24 2igq s ASN 1064Cb -0.51 -2.56 2.10 0.00 -0.55 0.00 0.00 41.25 39.73 2igq s ASN 1064CO 0.40 -1.78 2.27 0.24 -2.79 0.00 0.00 177.10 175.44 2igq h MET 1065N 10.27 0.00 0.00 0.43 2.86 -1.97 -2.13 114.93 124.39 2igq h MET 1065Ca 0.07 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 2igq h MET 1065Cb 1.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.66 2igq h MET 1065CO 1.36 0.01 -0.97 0.00 1.06 0.00 0.00 176.91 178.37 2igq h ALA 1066N 1.99 0.65 -1.35 6.32 0.00 -2.02 -3.40 119.26 121.46 2igq h ALA 1066Ca -0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 54.91 53.88 2igq h ALA 1066Cb 0.12 0.10 -0.29 0.00 0.00 0.00 0.00 17.79 17.71 2igq h ALA 1066CO 0.00 0.71 -0.85 -1.91 0.00 0.00 0.00 179.25 177.21 2igq n GLU 1067N -3.02 0.65 -2.11 0.00 2.13 -0.96 -5.15 120.64 112.17 2igq n GLU 1067Ca -0.04 -2.65 -0.39 0.00 0.66 0.00 0.00 57.16 54.74 2igq n GLU 1067Cb 0.77 -1.37 -0.01 0.00 0.27 0.00 0.00 31.44 31.10 2igq n GLU 1067CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2igq s PRO 1068N -0.26 3.92 0.84 5.31 0.02 -0.84 -4.75 135.00 139.23 2igq s PRO 1068Ca 0.33 2.05 -0.12 0.00 0.02 0.00 0.00 61.00 63.28 2igq s PRO 1068Cb 0.16 -2.68 0.10 0.00 0.02 0.00 0.00 34.50 32.10 2igq s PRO 1068CO -0.16 -0.50 1.12 -1.25 -0.33 0.00 0.00 177.00 175.88 2igq s PRO 1069N -2.33 1.72 0.17 5.54 0.04 -1.26 -4.97 135.00 133.90 2igq s PRO 1069Ca 0.58 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.80 2igq s PRO 1069Cb -0.36 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 2igq s PRO 1069CO 0.45 -1.84 1.22 -0.51 0.04 0.00 0.00 177.00 176.36 2igq s LEU 1070N -5.86 4.43 -0.18 -3.56 1.43 -1.26 -4.56 118.68 109.11 2igq s LEU 1070Ca 0.62 2.23 -0.11 0.00 -1.03 0.00 0.00 54.13 55.84 2igq s LEU 1070Cb -0.14 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 2igq s LEU 1070CO 0.54 -0.41 0.18 -0.63 0.23 0.00 0.00 176.35 176.25 2igq s ILE 1071N 0.16 5.38 -0.37 -0.59 1.01 -0.35 -4.39 121.20 122.05 2igq s ILE 1071Ca 0.54 0.30 -0.01 0.00 0.00 0.00 0.00 60.65 61.49 2igq s ILE 1071Cb -0.33 -3.52 0.10 0.00 0.01 0.00 0.00 42.46 38.72 2igq s ILE 1071CO 0.36 0.44 0.12 -0.36 0.00 0.00 0.00 174.94 175.50 2igq s PHE 1072N 0.27 3.58 0.66 3.97 0.08 -1.26 -0.49 117.98 124.78 2igq s PHE 1072Ca 0.11 -2.48 -0.12 0.00 0.12 0.00 0.00 56.93 54.56 2igq s PHE 1072Cb -0.12 -2.94 -0.01 0.00 -0.57 0.00 0.00 43.02 39.38 2igq s PHE 1072CO 0.00 -0.94 1.05 -1.21 -0.10 0.00 0.00 175.22 174.03 2igq s GLU 1073N 1.09 3.14 0.73 0.44 2.02 -0.24 -4.52 118.70 121.35 2igq s GLU 1073Ca 0.06 0.99 -0.14 0.00 0.02 0.00 0.00 54.97 55.90 2igq s GLU 1073Cb -0.21 -2.02 0.04 0.00 0.10 0.00 0.00 34.13 32.04 2igq s GLU 1073CO -0.05 -0.94 1.17 0.00 0.02 0.00 0.00 175.26 175.46 2igq n ASN 1075N -2.79 0.89 0.10 0.00 0.23 -1.26 -4.85 115.26 107.56 2igq n ASN 1075Ca 0.12 -2.17 0.11 0.00 -0.53 0.00 0.00 54.58 52.11 2igq n ASN 1075Cb 0.51 0.61 0.45 0.00 -2.08 0.00 0.00 39.78 39.27 2igq n ASN 1075CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2igq n HIS 1076N -0.47 0.64 0.53 -2.53 1.44 -1.26 -2.41 115.22 111.15 2igq n HIS 1076Ca -0.02 0.24 0.12 0.00 -2.01 0.00 0.00 57.72 56.05 2igq n HIS 1076Cb 0.33 -0.89 0.25 0.00 0.12 0.00 0.00 29.99 29.81 2igq n HIS 1076CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2igq h ALA 1077N 2.37 0.78 -2.54 1.59 0.00 -1.95 -3.47 119.26 116.04 2igq h ALA 1077Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 2igq h ALA 1077Cb 0.39 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.27 2igq h ALA 1077CO 0.00 0.00 0.40 0.00 0.00 0.00 0.00 179.25 179.65 2igq h SER 1079N 0.59 0.00 -3.90 0.00 0.02 -1.55 -3.47 113.55 105.25 2igq h SER 1079Ca -0.48 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.03 2igq h SER 1079Cb 1.26 0.00 0.16 0.00 0.14 0.00 0.00 62.40 63.96 2igq h SER 1079CO 0.55 0.00 0.27 0.00 -1.14 0.00 0.00 176.83 176.52 2igq s TRP 1081N -3.36 3.48 0.57 0.00 0.52 -1.26 -4.99 118.94 113.90 2igq s TRP 1081Ca 0.70 0.83 0.26 0.00 0.02 0.00 0.00 56.10 57.91 2igq s TRP 1081Cb -0.10 -2.27 1.56 0.00 -1.15 0.00 0.00 33.47 31.51 2igq s TRP 1081CO 0.54 0.00 2.09 -0.09 0.02 0.00 0.00 176.95 179.51 2igq h ARG 1082N 1.32 0.00 -0.76 4.98 9.65 -1.97 -2.20 114.38 125.39 2igq h ARG 1082Ca -0.47 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 2igq h ARG 1082Cb 1.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 2igq h ARG 1082CO 0.64 0.00 0.00 0.27 2.80 0.00 0.00 179.97 183.68 2igq n ASN 1083N -4.01 3.59 -4.71 -3.80 6.94 -1.26 -4.98 115.26 107.03 2igq n ASN 1083Ca 0.02 -2.50 -0.29 0.00 -0.02 0.00 0.00 54.58 51.79 2igq n ASN 1083Cb 0.34 -0.60 0.15 0.00 -2.36 0.00 0.00 39.78 37.31 2igq n ASN 1083CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2igq h ARG 1085N -1.63 0.36 -1.85 0.00 9.65 -1.37 -3.30 114.38 116.23 2igq h ARG 1085Ca -0.51 -0.07 -0.38 0.00 -1.10 0.00 0.00 59.98 57.93 2igq h ARG 1085Cb 1.29 -0.06 -0.14 0.00 -1.39 0.00 0.00 29.97 29.67 2igq h ARG 1085CO 0.55 0.40 0.27 -1.71 2.80 0.00 0.00 179.97 182.28 2igq n ASN 1086N -4.32 6.24 -3.38 -3.80 5.15 -1.26 -4.71 115.26 109.17 2igq n ASN 1086Ca 0.00 -3.02 -0.12 0.00 -0.60 0.00 0.00 54.58 50.85 2igq n ASN 1086Cb 0.22 -1.20 -0.09 0.00 -0.53 0.00 0.00 39.78 38.18 2igq n ASN 1086CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2igq s ARG 1087N -1.28 0.32 0.24 1.20 0.52 -1.25 -1.41 118.95 117.29 2igq s ARG 1087Ca 0.48 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 56.07 2igq s ARG 1087Cb 0.31 -0.63 0.00 0.00 0.52 0.00 0.00 34.95 35.15 2igq s ARG 1087CO -0.11 -0.71 0.00 0.28 0.02 0.00 0.00 175.30 174.78 2igq n VAL 1088N 5.35 0.17 -0.03 3.52 0.31 -1.26 -4.82 118.33 121.57 2igq n VAL 1088Ca -0.04 0.06 0.01 0.00 -0.01 0.00 0.00 64.34 64.36 2igq n VAL 1088Cb 0.50 -0.61 0.33 0.00 -0.91 0.00 0.00 33.84 33.14 2igq n VAL 1088CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2igq h VAL 1089N 0.00 1.16 0.00 2.52 2.07 -1.95 -1.72 116.25 118.33 2igq h VAL 1089Ca 0.00 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2igq h VAL 1089Cb 0.00 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2igq h VAL 1089CO 0.00 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.79 2igq n GLN 1090N -4.36 0.09 0.05 1.57 10.64 -1.26 -1.88 117.38 122.22 2igq n GLN 1090Ca 0.03 0.29 0.12 0.00 -1.83 0.00 0.00 57.00 55.61 2igq n GLN 1090Cb 0.15 -1.66 0.27 0.00 -0.86 0.00 0.00 30.24 28.15 2igq n GLN 1090CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2igq n ASN 1091N -1.82 0.59 0.00 2.61 3.02 -0.65 -5.06 115.26 113.95 2igq n ASN 1091Ca 0.03 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2igq n ASN 1091Cb 0.23 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 2igq n ASN 1091CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2igq n GLY 1092N 1.39 -0.10 3.66 7.41 0.00 -0.79 -4.94 105.19 111.83 2igq n GLY 1092Ca 0.05 -1.75 -0.46 0.00 0.00 0.00 0.00 46.02 43.86 2igq n GLY 1092CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2igq n LEU 1093N -1.07 3.00 0.00 0.99 0.00 -1.26 -4.89 117.00 113.77 2igq n LEU 1093Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 56.01 57.10 2igq n LEU 1093Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 43.42 42.01 2igq n LEU 1093CO 0.00 -0.37 -0.28 0.54 0.00 0.00 0.00 177.39 177.28 2igq n ARG 1094N 3.13 2.34 -2.21 1.96 1.74 -1.26 -4.33 116.66 118.03 2igq n ARG 1094Ca 0.16 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.87 2igq n ARG 1094Cb 0.29 -0.78 -0.01 0.00 -1.02 0.00 0.00 32.46 30.94 2igq n ARG 1094CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2igq s ALA 1095N -1.44 3.02 -0.49 7.54 0.00 -1.26 -4.91 121.76 124.22 2igq s ALA 1095Ca 0.00 0.99 -0.28 0.00 0.00 0.00 0.00 51.96 52.67 2igq s ALA 1095Cb 0.00 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.75 2igq s ALA 1095CO 0.00 -0.70 1.10 1.03 0.00 0.00 0.00 175.76 177.19 2igq s ARG 1096N -2.61 3.66 0.34 0.00 0.52 -1.26 -4.96 118.95 114.65 2igq s ARG 1096Ca 0.62 0.44 0.08 0.00 -0.52 0.00 0.00 55.73 56.36 2igq s ARG 1096Cb -0.31 -3.92 -0.04 0.00 0.52 0.00 0.00 34.95 31.20 2igq s ARG 1096CO 0.37 -1.39 0.12 -0.51 0.02 0.00 0.00 175.30 173.92 2igq s LEU 1097N 4.37 3.20 -0.19 2.53 1.43 -1.26 -0.59 118.68 128.17 2igq s LEU 1097Ca 0.45 -0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 2igq s LEU 1097Cb -0.08 -1.65 0.06 0.00 0.03 0.00 0.00 46.19 44.55 2igq s LEU 1097CO 0.30 -0.30 0.48 -1.58 0.23 0.00 0.00 176.35 175.47 2igq s GLN 1098N -3.83 0.50 -0.08 1.70 0.74 -0.63 -4.17 119.66 113.89 2igq s GLN 1098Ca 0.37 0.81 -0.25 0.00 0.05 0.00 0.00 55.36 56.34 2igq s GLN 1098Cb -0.02 0.10 -0.03 0.00 1.10 0.00 0.00 33.01 34.16 2igq s GLN 1098CO 0.22 -0.13 0.79 -1.17 -0.55 0.00 0.00 175.29 174.45 2igq s LEU 1099N 1.05 4.29 0.09 3.68 2.96 -0.17 -1.42 118.68 129.17 2igq s LEU 1099Ca -0.06 1.28 -0.02 0.00 -0.22 0.00 0.00 54.13 55.11 2igq s LEU 1099Cb -0.06 -3.22 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 2igq s LEU 1099CO -0.09 -0.22 0.04 -0.72 -1.32 0.00 0.00 176.35 174.04 2igq s TYR 1100N 1.17 0.60 -0.28 5.38 -0.85 -0.71 -0.39 117.35 122.27 2igq s TYR 1100Ca 0.41 -1.06 -0.17 0.00 -0.52 0.00 0.00 57.07 55.72 2igq s TYR 1100Cb -0.18 -0.37 -0.03 0.00 0.38 0.00 0.00 41.96 41.77 2igq s TYR 1100CO 0.19 -0.47 0.49 0.50 -1.52 0.00 0.00 175.55 174.74 2igq s ARG 1101N -3.96 3.99 0.60 -3.49 6.06 -1.08 -1.30 118.95 119.77 2igq s ARG 1101Ca 0.13 0.20 -0.10 0.00 -2.50 0.00 0.00 55.73 53.46 2igq s ARG 1101Cb 0.07 -3.68 -0.03 0.00 0.06 0.00 0.00 34.95 31.37 2igq s ARG 1101CO -0.05 -0.39 0.99 0.95 -2.50 0.00 0.00 175.30 174.30 2igq s THR 1102N 2.29 4.63 0.22 4.11 -4.23 -1.26 -4.66 115.64 116.74 2igq s THR 1102Ca 0.20 0.71 0.08 0.00 -1.18 0.00 0.00 61.69 61.50 2igq s THR 1102Cb -0.16 -3.83 -0.08 0.00 1.34 0.00 0.00 72.50 69.77 2igq s THR 1102CO 0.10 -1.04 1.51 0.03 -0.54 0.00 0.00 174.62 174.67 2igq h ARG 1103N -0.25 0.07 0.00 3.99 2.47 -1.99 -3.39 114.38 115.28 2igq h ARG 1103Ca -0.45 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 2igq h ARG 1103Cb 1.20 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2igq h ARG 1103CO 0.62 0.76 -0.08 -0.40 0.56 0.00 0.00 179.97 181.43 2igq n ASP 1104N -3.71 0.41 -0.51 7.04 5.75 -1.26 -4.84 116.55 119.43 2igq n ASP 1104Ca -0.02 -0.24 0.01 0.00 -0.01 0.00 0.00 54.79 54.54 2igq n ASP 1104Cb 0.71 0.56 0.02 0.00 -1.03 0.00 0.00 41.12 41.38 2igq n ASP 1104CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 2igq n MET 1105N -0.61 0.16 -0.51 0.11 1.56 -1.26 -5.08 117.12 111.50 2igq n MET 1105Ca 0.00 -1.26 0.00 0.00 -0.27 0.00 0.00 57.70 56.17 2igq n MET 1105Cb 0.00 -0.60 0.00 0.00 2.15 0.00 0.00 33.22 34.77 2igq n MET 1105CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2igq n GLY 1106N -0.15 0.00 1.71 -5.12 0.00 -1.26 -4.78 105.19 95.59 2igq n GLY 1106Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2igq n GLY 1106CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2igq n TRP 1107N 1.57 -3.83 -4.19 1.61 5.03 -1.25 -4.81 117.44 111.57 2igq n TRP 1107Ca 0.00 2.31 -0.15 0.00 3.03 0.00 0.00 57.50 62.70 2igq n TRP 1107Cb 0.00 -3.31 -0.08 0.00 -1.03 0.00 0.00 31.31 26.89 2igq n TRP 1107CO 0.00 0.00 0.00 0.20 -0.03 0.00 0.00 177.69 177.86 2igq s GLY 1108N -0.40 1.65 -0.07 6.99 0.00 -0.42 -4.78 107.32 110.30 2igq s GLY 1108Ca 0.00 -1.71 0.06 0.00 0.00 0.00 0.00 44.72 43.06 2igq s GLY 1108CO 0.00 -1.28 -0.25 0.14 0.00 0.00 0.00 173.10 171.71 2igq s VAL 1109N -3.74 2.05 0.31 1.40 1.01 -1.25 -1.74 120.40 118.46 2igq s VAL 1109Ca 0.37 -1.05 0.10 0.00 0.00 0.00 0.00 61.98 61.39 2igq s VAL 1109Cb 0.04 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 2igq s VAL 1109CO 0.18 0.57 -0.03 0.00 0.00 0.00 0.00 175.10 175.82 2igq s ARG 1110N -0.03 2.04 -0.00 2.72 1.70 -0.51 0.31 118.95 125.18 2igq s ARG 1110Ca -0.08 -1.70 -0.13 0.00 -0.47 0.00 0.00 55.73 53.35 2igq s ARG 1110Cb -0.15 -1.94 -0.06 0.00 -0.57 0.00 0.00 34.95 32.24 2igq s ARG 1110CO 0.05 0.21 0.38 0.45 -1.08 0.00 0.00 175.30 175.31 2igq s SER 1111N -3.67 6.75 0.00 -2.89 0.15 -0.23 -1.61 113.70 112.21 2igq s SER 1111Ca 0.33 0.90 0.26 0.00 0.70 0.00 0.00 55.95 58.14 2igq s SER 1111Cb -0.02 -2.23 0.58 0.00 -1.71 0.00 0.00 66.02 62.64 2igq s SER 1111CO 0.19 0.32 1.46 0.18 1.20 0.00 0.00 173.24 176.59 2igq n LEU 1112N 1.75 1.74 -4.28 3.45 4.77 0.24 0.48 117.00 125.14 2igq n LEU 1112Ca -0.14 -0.57 -0.15 0.00 -0.03 0.00 0.00 56.01 55.12 2igq n LEU 1112Cb 0.53 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 2igq n LEU 1112CO 0.37 0.30 -0.34 0.00 -1.33 0.00 0.00 177.39 176.39 2igq s GLN 1113N -2.26 1.20 0.21 3.23 -2.07 -1.26 -4.57 119.66 114.14 2igq s GLN 1113Ca 0.28 -1.58 -0.30 0.00 -1.82 0.00 0.00 55.36 51.93 2igq s GLN 1113Cb 0.20 -0.49 -0.09 0.00 -1.09 0.00 0.00 33.01 31.54 2igq s GLN 1113CO 0.44 -0.08 1.40 -0.51 -1.32 0.00 0.00 175.29 175.22 2igq s ASP 1114N -3.23 6.75 -0.22 12.60 1.01 -1.26 -3.26 116.67 129.06 2igq s ASP 1114Ca 0.25 2.53 -0.00 0.00 0.71 0.00 0.00 52.55 56.03 2igq s ASP 1114Cb 0.05 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.40 2igq s ASP 1114CO 0.05 -0.64 -0.11 -0.63 0.21 0.00 0.00 175.17 174.05 2igq s ILE 1115N 0.26 2.53 0.87 0.77 1.01 0.82 -4.94 121.20 122.52 2igq s ILE 1115Ca 0.60 -1.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 2igq s ILE 1115Cb -0.40 -2.23 0.12 0.00 0.01 0.00 0.00 42.46 39.96 2igq s ILE 1115CO 0.39 0.30 1.15 -2.84 0.00 0.00 0.00 174.94 173.94 2igq s PRO 1116N 1.29 1.35 0.49 2.79 0.02 -1.26 -0.77 135.00 138.90 2igq s PRO 1116Ca 0.01 1.54 -0.23 0.00 0.02 0.00 0.00 61.00 62.33 2igq s PRO 1116Cb -0.16 -1.77 -0.07 0.00 0.02 0.00 0.00 34.50 32.53 2igq s PRO 1116CO -0.07 -2.38 1.34 -1.25 -0.33 0.00 0.00 177.00 174.30 2igq s PRO 1117N -4.56 3.50 -0.16 5.54 0.04 -1.25 -3.22 135.00 134.89 2igq s PRO 1117Ca 0.67 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.91 2igq s PRO 1117Cb -0.23 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2igq s PRO 1117CO 0.56 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2igq n GLY 1118N 0.64 0.52 3.76 0.56 0.00 0.16 -4.66 105.19 106.17 2igq n GLY 1118Ca 0.07 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 2igq n GLY 1118CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2igq s THR 1119N -2.01 4.86 0.02 2.61 2.01 -1.20 -0.31 115.64 121.62 2igq s THR 1119Ca 0.00 1.31 -0.30 0.00 0.31 0.00 0.00 61.69 63.01 2igq s THR 1119Cb 0.00 -3.96 -0.08 0.00 0.01 0.00 0.00 72.50 68.47 2igq s THR 1119CO 0.00 0.42 1.82 0.12 -0.69 0.00 0.00 174.62 176.29 2igq s PHE 1120N -0.24 1.71 -0.22 4.92 5.36 -1.26 -1.14 117.98 127.11 2igq s PHE 1120Ca 0.32 -0.12 -0.16 0.00 -0.96 0.00 0.00 56.93 56.00 2igq s PHE 1120Cb -0.19 -4.10 -0.08 0.00 -0.34 0.00 0.00 43.02 38.31 2igq s PHE 1120CO 0.18 -4.76 -0.34 0.28 -1.46 0.00 0.00 175.22 169.13 2igq n VAL 1121N 5.37 1.51 -3.49 3.12 0.31 0.06 -4.70 118.33 120.51 2igq n VAL 1121Ca 0.18 -0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.37 2igq n VAL 1121Cb 0.41 -2.17 -0.02 0.00 -0.91 0.00 0.00 33.84 31.15 2igq n VAL 1121CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2igq s GLU 1123N -3.25 3.49 -0.67 0.00 2.12 -1.26 -0.08 118.70 119.04 2igq s GLU 1123Ca 0.04 -0.11 -0.27 0.00 0.36 0.00 0.00 54.97 54.99 2igq s GLU 1123Cb -0.01 -3.17 0.01 0.00 0.26 0.00 0.00 34.13 31.22 2igq s GLU 1123CO -0.10 0.75 1.51 -0.47 -0.54 0.00 0.00 175.26 176.41 2igq s TYR 1124N -1.09 2.05 0.00 5.30 5.04 0.73 -4.56 117.35 124.83 2igq s TYR 1124Ca 0.18 0.32 0.03 0.00 -2.44 0.00 0.00 57.07 55.16 2igq s TYR 1124Cb -0.13 -4.40 -0.03 0.00 0.35 0.00 0.00 41.96 37.75 2igq s TYR 1124CO 0.08 -2.15 -0.06 0.14 -1.34 0.00 0.00 175.55 172.21 2igq s VAL 1125N 6.99 3.68 0.00 3.14 -7.23 -1.26 -4.55 120.40 121.17 2igq s VAL 1125Ca 0.49 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 2igq s VAL 1125Cb -0.10 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.24 2igq s VAL 1125CO 0.18 0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.98 2igq n GLY 1126N 1.55 1.38 3.52 2.32 0.00 -1.26 -2.68 105.19 110.03 2igq n GLY 1126Ca -0.15 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 2igq n GLY 1126CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2igq s GLU 1127N 4.25 3.82 -0.23 1.61 2.12 0.11 -1.94 118.70 128.43 2igq s GLU 1127Ca 0.00 -0.39 -0.29 0.00 0.36 0.00 0.00 54.97 54.65 2igq s GLU 1127Cb 0.00 -3.51 0.01 0.00 0.26 0.00 0.00 34.13 30.89 2igq s GLU 1127CO 0.00 -0.18 1.08 -1.17 -0.54 0.00 0.00 175.26 174.44 2igq s LEU 1128N 1.69 4.09 0.09 2.70 2.96 -0.45 -0.09 118.68 129.67 2igq s LEU 1128Ca 0.07 1.38 0.01 0.00 -0.22 0.00 0.00 54.13 55.37 2igq s LEU 1128Cb -0.16 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 2igq s LEU 1128CO 0.08 -0.71 -0.06 0.27 -1.32 0.00 0.00 176.35 174.60 2igq s ILE 1129N 3.32 0.59 0.65 6.68 -4.36 -0.47 -4.54 121.20 123.07 2igq s ILE 1129Ca 0.46 -1.90 -0.12 0.00 -0.26 0.00 0.00 60.65 58.82 2igq s ILE 1129Cb -0.16 -1.64 -0.02 0.00 1.25 0.00 0.00 42.46 41.90 2igq s ILE 1129CO 0.09 -0.90 1.05 -0.94 0.24 0.00 0.00 174.94 174.48 2igq s SER 1130N -3.00 5.68 0.37 4.36 1.04 -1.26 -1.07 113.70 119.82 2igq s SER 1130Ca 0.11 1.64 0.13 0.00 0.48 0.00 0.00 55.95 58.30 2igq s SER 1130Cb 0.06 -2.50 0.93 0.00 0.10 0.00 0.00 66.02 64.61 2igq s SER 1130CO -0.06 -1.24 1.82 -2.24 0.98 0.00 0.00 173.24 172.50 2igq h ASP 1131N -0.26 0.58 -0.47 7.02 3.04 -1.15 -1.63 116.42 123.55 2igq h ASP 1131Ca -0.45 0.07 -0.12 0.00 -3.24 0.00 0.00 57.03 53.28 2igq h ASP 1131Cb 1.21 -0.04 -0.01 0.00 -1.04 0.00 0.00 39.33 39.45 2igq h ASP 1131CO 0.58 0.22 -0.19 0.77 -2.04 0.00 0.00 179.24 178.57 2igq h SER 1132N 0.57 0.98 -0.60 4.15 4.64 -1.93 -0.71 113.55 120.65 2igq h SER 1132Ca 0.52 -0.39 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 2igq h SER 1132Cb 1.07 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 2igq h SER 1132CO -0.26 1.15 0.04 -0.08 -0.87 0.00 0.00 176.83 176.80 2igq h GLU 1133N 0.80 1.03 -0.84 4.77 4.57 -1.80 -2.35 114.58 120.77 2igq h GLU 1133Ca 0.11 -0.31 0.02 0.00 -1.18 0.00 0.00 59.36 58.00 2igq h GLU 1133Cb 0.76 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.21 2igq h GLU 1133CO 0.06 1.00 0.55 0.00 -1.18 0.00 0.00 179.01 179.43 2igq h ALA 1134N 0.99 1.08 -0.89 2.92 0.00 -1.21 -2.93 119.26 119.22 2igq h ALA 1134Ca 0.17 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2igq h ALA 1134Cb 0.51 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2igq h ALA 1134CO 0.02 0.42 0.57 -0.44 0.00 0.00 0.00 179.25 179.82 2igq h ASP 1135N 1.09 0.79 -0.06 0.00 3.32 -0.60 -2.82 116.42 118.14 2igq h ASP 1135Ca 0.32 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2igq h ASP 1135Cb -0.06 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2igq h ASP 1135CO -0.09 0.46 0.00 0.55 -1.72 0.00 0.00 179.24 178.44 2igq n VAL 1136N -4.53 0.06 -3.46 -1.35 3.14 -1.02 -4.90 118.33 106.27 2igq n VAL 1136Ca 0.15 -0.30 -0.36 0.00 -2.96 0.00 0.00 64.34 60.88 2igq n VAL 1136Cb 0.32 0.53 -0.06 0.00 -1.06 0.00 0.00 33.84 33.57 2igq n VAL 1136CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2igq s ARG 1137N -1.94 3.92 0.11 1.45 0.52 -1.07 -5.01 118.95 116.93 2igq s ARG 1137Ca 0.36 0.40 -0.14 0.00 -0.52 0.00 0.00 55.73 55.83 2igq s ARG 1137Cb 0.20 -3.06 -0.10 0.00 0.52 0.00 0.00 34.95 32.51 2igq s ARG 1137CO 0.32 0.58 1.39 1.49 0.02 0.00 0.00 175.30 179.09 2igq h GLU 1138N 4.01 0.77 -5.20 3.54 4.81 -1.90 -3.41 114.58 117.20 2igq h GLU 1138Ca -0.50 -0.48 -0.67 0.00 -0.13 0.00 0.00 59.36 57.59 2igq h GLU 1138Cb 1.20 0.05 -0.17 0.00 0.63 0.00 0.00 28.75 30.47 2igq h GLU 1138CO 0.65 1.10 0.14 -2.00 -0.73 0.00 0.00 179.01 178.17 2igq s GLU 1139N -4.15 3.19 0.00 1.92 2.56 -1.26 -4.89 118.70 116.06 2igq s GLU 1139Ca -0.12 -0.68 0.22 0.00 0.00 0.00 0.00 54.97 54.40 2igq s GLU 1139Cb 0.09 -4.05 0.33 0.00 2.00 0.00 0.00 34.13 32.50 2igq s GLU 1139CO 0.86 -1.20 1.31 -0.40 -0.56 0.00 0.00 175.26 175.27 2igq n ASP 1140N 6.37 3.20 0.00 -1.70 5.75 -1.26 -4.65 116.55 124.27 2igq n ASP 1140Ca -0.04 -1.95 0.13 0.00 -0.01 0.00 0.00 54.79 52.92 2igq n ASP 1140Cb 0.46 -0.16 0.67 0.00 -1.03 0.00 0.00 41.12 41.06 2igq n ASP 1140CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2igq n SER 1141N 1.35 0.00 -0.73 -1.12 7.64 -1.26 -3.35 113.62 116.15 2igq n SER 1141Ca 0.17 -0.05 0.06 0.00 1.01 0.00 0.00 58.87 60.06 2igq n SER 1141Cb 0.57 -0.30 0.17 0.00 -1.01 0.00 0.00 64.21 63.63 2igq n SER 1141CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2igq n TYR 1142N -1.30 0.00 -3.37 1.43 4.01 -1.26 -5.05 117.16 111.61 2igq n TYR 1142Ca 0.12 -1.27 -0.38 0.00 -0.16 0.00 0.00 57.90 56.22 2igq n TYR 1142Cb 0.22 -0.22 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 2igq n TYR 1142CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2igq s LEU 1143N -2.59 4.19 -0.28 7.72 1.02 -1.21 -0.83 118.68 126.70 2igq s LEU 1143Ca 0.36 0.60 -0.06 0.00 0.02 0.00 0.00 54.13 55.05 2igq s LEU 1143Cb 0.36 -2.56 0.01 0.00 0.02 0.00 0.00 46.19 44.02 2igq s LEU 1143CO -0.08 -0.05 0.06 0.12 0.02 0.00 0.00 176.35 176.42 2igq s PHE 1144N 1.08 3.13 0.15 0.29 5.36 0.16 -4.97 117.98 123.18 2igq s PHE 1144Ca 0.21 -0.98 -0.30 0.00 -0.96 0.00 0.00 56.93 54.89 2igq s PHE 1144Cb -0.15 -2.23 -0.08 0.00 -0.34 0.00 0.00 43.02 40.23 2igq s PHE 1144CO 0.08 -0.57 1.29 -0.51 -1.46 0.00 0.00 175.22 174.05 2igq s ASP 1145N 1.49 6.94 -0.18 6.13 1.11 -1.26 -0.32 116.67 130.58 2igq s ASP 1145Ca 0.03 2.28 -0.23 0.00 0.18 0.00 0.00 52.55 54.81 2igq s ASP 1145Cb -0.17 -2.60 -0.21 0.00 1.07 0.00 0.00 42.92 41.01 2igq s ASP 1145CO 0.02 -0.53 0.38 -0.07 1.18 0.00 0.00 175.17 176.15 2igq h LEU 1146N 6.01 0.03 0.00 1.23 3.38 -1.52 -3.48 115.31 120.96 2igq h LEU 1146Ca -0.43 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 56.88 2igq h LEU 1146Cb 1.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2igq h LEU 1146CO 0.80 1.39 0.00 -0.90 0.09 0.00 0.00 178.44 179.82 2igq n ASP 1147N -4.43 0.00 -0.17 -0.43 5.68 -1.26 -4.92 116.55 111.02 2igq n ASP 1147Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.03 2igq n ASP 1147Cb 0.65 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 2igq n ASP 1147CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2igq n GLU 1152N 0.00 0.00 -4.76 0.11 4.71 -1.26 -4.92 120.64 114.52 2igq n GLU 1152Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.82 2igq n GLU 1152Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 31.44 30.31 2igq n GLU 1152CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2igq s VAL 1153N 0.00 3.37 0.22 2.62 1.01 -1.26 -5.01 120.40 121.35 2igq s VAL 1153Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2igq s VAL 1153Cb 0.00 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 2igq s VAL 1153CO 0.00 0.59 -0.15 -0.31 0.00 0.00 0.00 175.10 175.24 2igq s TYR 1154N -0.75 1.78 0.06 5.22 2.02 -1.26 -0.57 117.35 123.85 2igq s TYR 1154Ca 0.12 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 2igq s TYR 1154Cb -0.11 -0.83 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 2igq s TYR 1154CO 0.01 0.39 -0.05 0.00 -1.57 0.00 0.00 175.55 174.34 2igq s ILE 1156N -3.20 4.19 -0.36 0.00 1.01 0.56 -1.36 121.20 122.04 2igq s ILE 1156Ca 0.03 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 2igq s ILE 1156Cb 0.03 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.24 2igq s ILE 1156CO -0.06 -0.07 0.41 -0.62 0.00 0.00 0.00 174.94 174.61 2igq s ASP 1157N 1.51 6.22 -0.04 3.58 2.15 0.87 -0.67 116.67 130.29 2igq s ASP 1157Ca 0.02 -0.25 0.18 0.00 0.43 0.00 0.00 52.55 52.93 2igq s ASP 1157Cb -0.18 -2.22 0.60 0.00 -0.30 0.00 0.00 42.92 40.82 2igq s ASP 1157CO 0.04 -0.42 1.49 0.00 -0.17 0.00 0.00 175.17 176.12 2igq n ALA 1158N 5.51 2.67 0.07 3.66 0.00 -0.01 0.09 120.51 132.50 2igq n ALA 1158Ca -0.08 -1.24 -0.13 0.00 0.00 0.00 0.00 53.44 52.00 2igq n ALA 1158Cb 0.49 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 2igq n ALA 1158CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2igq h ARG 1159N 3.69 -0.10 0.02 0.00 9.65 -1.93 -3.37 114.38 122.34 2igq h ARG 1159Ca 0.00 0.01 -0.36 0.00 -1.10 0.00 0.00 59.98 58.53 2igq h ARG 1159Cb 1.05 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.60 2igq h ARG 1159CO 0.09 0.03 -2.23 1.19 2.80 0.00 0.00 179.97 181.85 2igq n PHE 1160N -5.08 0.36 -3.89 2.20 3.72 -1.26 -4.70 117.46 108.81 2igq n PHE 1160Ca -0.08 0.11 -0.22 0.00 -0.05 0.00 0.00 57.45 57.21 2igq n PHE 1160Cb 0.11 -1.06 -0.17 0.00 -0.94 0.00 0.00 39.48 37.42 2igq n PHE 1160CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2igq s TYR 1161N -2.53 0.73 0.25 1.38 2.02 -1.26 -0.76 117.35 117.19 2igq s TYR 1161Ca -0.17 -0.21 -0.21 0.00 -0.37 0.00 0.00 57.07 56.11 2igq s TYR 1161Cb 0.07 -0.78 0.06 0.00 -0.40 0.00 0.00 41.96 40.92 2igq s TYR 1161CO 0.76 -0.30 0.92 0.20 -1.57 0.00 0.00 175.55 175.56 2igq s GLY 1162N 1.62 0.10 0.00 0.71 0.00 -0.95 -3.59 107.32 105.22 2igq s GLY 1162Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.35 2igq s GLY 1162CO -0.04 0.87 0.00 1.16 0.00 0.00 0.00 173.10 175.10 2igq n ASN 1163N -1.06 1.11 -0.33 1.64 6.94 -1.09 -1.54 115.26 120.93 2igq n ASN 1163Ca -0.05 -0.44 0.23 0.00 -0.02 0.00 0.00 54.58 54.30 2igq n ASN 1163Cb 0.60 0.00 0.51 0.00 -2.36 0.00 0.00 39.78 38.53 2igq n ASN 1163CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 2igq h VAL 1164N 0.24 0.50 -0.14 3.53 3.04 -1.90 -2.61 116.25 118.92 2igq h VAL 1164Ca 0.00 -0.13 0.04 0.00 -1.01 0.00 0.00 66.70 65.60 2igq h VAL 1164Cb 0.00 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.36 2igq h VAL 1164CO 0.00 0.07 0.11 0.28 -1.01 0.00 0.00 177.57 177.02 2igq h SER 1165N 0.39 0.00 0.23 3.17 0.02 -1.91 -1.36 113.55 114.08 2igq h SER 1165Ca 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 2igq h SER 1165Cb 1.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.09 2igq h SER 1165CO -0.31 0.00 0.00 0.08 -1.14 0.00 0.00 176.83 175.46 2igq h ARG 1166N 0.00 0.00 -0.02 3.45 0.11 -1.77 -1.98 114.38 114.18 2igq h ARG 1166Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 2igq h ARG 1166Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 2igq h ARG 1166CO -0.00 0.00 -0.21 1.19 0.10 0.00 0.00 179.97 181.05 2igq n PHE 1167N -2.76 0.00 -2.26 4.08 3.72 -0.51 -4.93 117.46 114.80 2igq n PHE 1167Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 2igq n PHE 1167Cb 0.11 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.62 2igq n PHE 1167CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2igq s ILE 1168N -2.23 3.95 0.59 4.37 1.01 -0.75 -3.88 121.20 124.27 2igq s ILE 1168Ca 0.25 1.21 -0.14 0.00 0.00 0.00 0.00 60.65 61.96 2igq s ILE 1168Cb 0.19 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 2igq s ILE 1168CO 0.43 -0.08 1.03 0.20 0.00 0.00 0.00 174.94 176.52 2igq s ASN 1169N 2.33 6.02 0.34 3.58 0.02 -1.26 -4.85 114.94 121.12 2igq s ASN 1169Ca 0.62 1.64 -0.28 0.00 -1.02 0.00 0.00 52.86 53.83 2igq s ASN 1169Cb -0.27 -2.51 -0.09 0.00 0.02 0.00 0.00 41.25 38.39 2igq s ASN 1169CO 0.22 -1.00 1.18 -2.28 0.02 0.00 0.00 177.10 175.23 2igq s HIS 1170N -2.73 3.26 -0.01 2.20 5.65 -1.26 -2.80 115.29 119.61 2igq s HIS 1170Ca 0.60 1.58 0.00 0.00 0.25 0.00 0.00 55.06 57.49 2igq s HIS 1170Cb -0.13 -3.42 0.01 0.00 -1.18 0.00 0.00 32.58 27.86 2igq s HIS 1170CO 0.41 -1.15 0.00 -1.58 -0.65 0.00 0.00 174.74 171.78 2igq s HIS 1171N -1.25 0.10 0.05 3.88 2.46 -0.56 -4.65 115.29 115.31 2igq s HIS 1171Ca 0.50 0.02 0.25 0.00 0.47 0.00 0.00 55.06 56.30 2igq s HIS 1171Cb -0.33 -0.14 0.89 0.00 -0.13 0.00 0.00 32.58 32.87 2igq s HIS 1171CO 0.43 -0.04 1.81 0.00 -2.47 0.00 0.00 174.74 174.47 2igq n GLU 1173N -3.29 2.33 -2.35 0.00 -0.58 -1.26 -4.92 120.64 110.57 2igq n GLU 1173Ca 0.01 -4.55 -0.37 0.00 -0.42 0.00 0.00 57.16 51.83 2igq n GLU 1173Cb 0.44 -2.18 -0.02 0.00 -0.57 0.00 0.00 31.44 29.10 2igq n GLU 1173CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2igq s PRO 1174N -2.29 3.91 0.00 3.49 0.04 -1.24 -4.93 135.00 133.98 2igq s PRO 1174Ca 0.38 1.70 0.28 0.00 0.04 0.00 0.00 61.00 63.40 2igq s PRO 1174Cb 0.13 -2.48 1.25 0.00 0.04 0.00 0.00 34.50 33.45 2igq s PRO 1174CO -0.03 -0.40 1.85 0.27 0.04 0.00 0.00 177.00 178.73 2igq n ASN 1175N -0.30 1.04 -4.18 6.66 0.23 -1.19 -4.78 115.26 112.74 2igq n ASN 1175Ca 0.06 -1.38 -0.22 0.00 -0.53 0.00 0.00 54.58 52.51 2igq n ASN 1175Cb 0.48 -0.01 -0.14 0.00 -2.08 0.00 0.00 39.78 38.04 2igq n ASN 1175CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2igq s LEU 1176N -1.93 2.16 -0.05 -4.53 1.43 -0.85 -1.07 118.68 113.84 2igq s LEU 1176Ca 0.40 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2igq s LEU 1176Cb 0.20 -0.74 0.02 0.00 0.03 0.00 0.00 46.19 45.70 2igq s LEU 1176CO 0.33 0.09 -0.07 0.54 0.23 0.00 0.00 176.35 177.47 2igq s VAL 1177N -0.80 0.75 0.22 -1.59 0.11 -0.25 -4.48 120.40 114.36 2igq s VAL 1177Ca 0.04 -0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 58.54 2igq s VAL 1177Cb -0.08 -0.74 -0.08 0.00 -1.53 0.00 0.00 36.38 33.95 2igq s VAL 1177CO 0.01 0.27 1.11 -2.16 -3.33 0.00 0.00 175.10 171.01 2igq s PRO 1178N 0.86 4.60 -0.06 1.54 0.04 -1.26 -1.46 135.00 139.26 2igq s PRO 1178Ca -0.12 1.77 0.04 0.00 0.04 0.00 0.00 61.00 62.73 2igq s PRO 1178Cb -0.15 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2igq s PRO 1178CO 0.01 0.11 -0.17 0.08 0.04 0.00 0.00 177.00 177.07 2igq s VAL 1179N -0.57 1.44 -0.19 -0.36 1.01 0.13 -4.93 120.40 116.94 2igq s VAL 1179Ca 0.48 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 2igq s VAL 1179Cb -0.31 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 2igq s VAL 1179CO 0.37 0.42 0.96 -0.13 0.00 0.00 0.00 175.10 176.72 2igq s ARG 1180N 0.26 4.30 0.03 2.72 0.52 -1.26 -1.03 118.95 124.49 2igq s ARG 1180Ca -0.09 1.24 0.06 0.00 -0.52 0.00 0.00 55.73 56.42 2igq s ARG 1180Cb -0.14 -3.60 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 2igq s ARG 1180CO 0.04 -0.47 -0.17 0.08 0.02 0.00 0.00 175.30 174.80 2igq s VAL 1181N 2.62 1.36 -0.05 3.52 1.01 0.15 -1.21 120.40 127.80 2igq s VAL 1181Ca 0.43 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.50 2igq s VAL 1181Cb -0.16 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 2igq s VAL 1181CO 0.11 0.18 -0.25 -0.36 0.00 0.00 0.00 175.10 174.78 2igq s PHE 1182N -0.69 2.40 0.00 5.22 0.08 0.35 -1.18 117.98 124.17 2igq s PHE 1182Ca 0.05 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.45 2igq s PHE 1182Cb -0.08 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.81 2igq s PHE 1182CO 0.01 -0.17 0.00 -1.33 -0.10 0.00 0.00 175.22 173.63 2igq n MET 1183N 2.82 0.00 0.24 0.44 2.81 -1.26 -1.08 117.12 121.08 2igq n MET 1183Ca -0.17 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 55.87 2igq n MET 1183Cb 0.52 0.00 0.53 0.00 -0.71 0.00 0.00 33.22 33.56 2igq n MET 1183CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2igq h ALA 1184N 1.00 1.00 -2.28 3.04 0.00 -1.92 -3.42 119.26 116.67 2igq h ALA 1184Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 2igq h ALA 1184Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 2igq h ALA 1184CO 0.00 0.00 -0.67 -3.38 0.00 0.00 0.00 179.25 175.20 2igq s HIS 1185N -3.49 1.03 -0.28 0.00 0.00 -1.26 -4.94 115.29 106.35 2igq s HIS 1185Ca 0.03 -1.01 0.12 0.00 -3.00 0.00 0.00 55.06 51.20 2igq s HIS 1185Cb 0.08 -0.59 0.47 0.00 -4.00 0.00 0.00 32.58 28.54 2igq s HIS 1185CO 0.56 -0.24 1.17 1.04 -1.00 0.00 0.00 174.74 176.27 2igq n GLN 1186N -0.14 2.96 -2.63 -0.38 6.02 -1.26 -4.79 117.38 117.16 2igq n GLN 1186Ca -0.09 -3.92 -0.43 0.00 -0.01 0.00 0.00 57.00 52.55 2igq n GLN 1186Cb 0.62 -2.04 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 2igq n GLN 1186CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2igq s ASP 1187N -3.63 6.57 0.39 1.08 -1.08 -1.26 -4.91 116.67 113.83 2igq s ASP 1187Ca 0.43 0.33 0.28 0.00 -0.52 0.00 0.00 52.55 53.08 2igq s ASP 1187Cb 0.38 -2.54 1.20 0.00 -1.46 0.00 0.00 42.92 40.51 2igq s ASP 1187CO 0.01 -1.28 1.84 -0.07 0.52 0.00 0.00 175.17 176.19 2igq h LEU 1188N 11.28 0.00 -1.63 -1.34 3.38 -1.98 -0.75 115.31 124.27 2igq h LEU 1188Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2igq h LEU 1188Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2igq h LEU 1188CO 1.13 0.00 0.00 0.03 0.09 0.00 0.00 178.44 179.69 2igq h ARG 1189N 0.00 0.00 -2.15 1.13 3.08 -1.95 -3.36 114.38 111.14 2igq h ARG 1189Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2igq h ARG 1189Cb 0.38 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.02 2igq h ARG 1189CO 0.00 0.00 -0.85 1.19 -1.07 0.00 0.00 179.97 179.24 2igq n PHE 1190N -2.91 2.25 -1.20 3.04 3.72 -0.29 -4.69 117.46 117.39 2igq n PHE 1190Ca 0.00 -3.92 -0.32 0.00 -0.05 0.00 0.00 57.45 53.16 2igq n PHE 1190Cb 0.23 -0.46 0.11 0.00 -0.94 0.00 0.00 39.48 38.42 2igq n PHE 1190CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2igq s PRO 1191N -2.64 1.88 0.03 -1.08 0.04 -1.26 -4.85 135.00 127.12 2igq s PRO 1191Ca 0.43 1.54 0.01 0.00 0.04 0.00 0.00 61.00 63.01 2igq s PRO 1191Cb 0.26 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.93 2igq s PRO 1191CO -0.09 -1.99 0.11 1.03 0.04 0.00 0.00 177.00 176.10 2igq s ARG 1192N -4.35 3.08 -0.37 4.56 0.52 -0.32 -4.90 118.95 117.17 2igq s ARG 1192Ca 0.69 -0.54 -0.10 0.00 -0.52 0.00 0.00 55.73 55.26 2igq s ARG 1192Cb -0.24 -2.86 0.03 0.00 0.52 0.00 0.00 34.95 32.41 2igq s ARG 1192CO 0.51 0.62 0.19 0.42 0.02 0.00 0.00 175.30 177.06 2igq s ILE 1193N -1.32 4.44 -0.16 1.52 -1.09 -1.26 -0.68 121.20 122.66 2igq s ILE 1193Ca 0.27 -0.93 -0.03 0.00 -2.23 0.00 0.00 60.65 57.73 2igq s ILE 1193Cb -0.12 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 2igq s ILE 1193CO 0.19 -0.24 -0.06 0.00 -1.23 0.00 0.00 174.94 173.60 2igq s ALA 1194N 1.53 2.89 -0.16 9.38 0.00 -0.20 -0.19 121.76 135.01 2igq s ALA 1194Ca 0.01 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 2igq s ALA 1194Cb -0.19 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 2igq s ALA 1194CO 0.06 0.14 0.43 -0.06 0.00 0.00 0.00 175.76 176.33 2igq s PHE 1195N 0.50 3.44 0.05 0.00 0.08 0.88 0.20 117.98 123.13 2igq s PHE 1195Ca -0.05 0.74 0.08 0.00 0.12 0.00 0.00 56.93 57.83 2igq s PHE 1195Cb -0.15 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 39.74 2igq s PHE 1195CO 0.03 0.08 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.97 2igq s PHE 1196N 0.97 2.50 0.27 0.36 0.08 -0.54 -0.76 117.98 120.86 2igq s PHE 1196Ca 0.22 -0.29 -0.29 0.00 0.12 0.00 0.00 56.93 56.68 2igq s PHE 1196Cb -0.15 -1.43 -0.09 0.00 -0.57 0.00 0.00 43.02 40.78 2igq s PHE 1196CO 0.08 0.24 1.23 -1.54 -0.10 0.00 0.00 175.22 175.14 2igq s SER 1197N -1.49 6.98 0.00 1.36 1.04 -0.30 -1.09 113.70 120.21 2igq s SER 1197Ca 0.14 2.44 0.26 0.00 0.48 0.00 0.00 55.95 59.28 2igq s SER 1197Cb -0.10 -2.63 0.74 0.00 0.10 0.00 0.00 66.02 64.13 2igq s SER 1197CO 0.05 -0.40 1.56 0.35 0.98 0.00 0.00 173.24 175.78 2igq n THR 1198N 1.58 0.00 -3.59 2.02 -2.24 -0.23 -0.67 114.28 111.15 2igq n THR 1198Ca 0.02 -0.26 0.04 0.00 -2.27 0.00 0.00 64.05 61.58 2igq n THR 1198Cb 0.43 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 2igq n THR 1198CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2igq s ARG 1199N -2.17 0.04 -0.04 -0.78 1.70 -1.26 -4.87 118.95 111.57 2igq s ARG 1199Ca 0.31 -0.02 -0.31 0.00 -0.47 0.00 0.00 55.73 55.24 2igq s ARG 1199Cb 0.20 0.01 -0.09 0.00 -0.57 0.00 0.00 34.95 34.50 2igq s ARG 1199CO 0.40 -0.02 1.98 -0.11 -1.08 0.00 0.00 175.30 176.47 2igq n LEU 1200N -0.54 3.82 -4.70 -1.89 7.94 -1.26 -3.77 117.00 116.61 2igq n LEU 1200Ca -0.09 0.84 -0.37 0.00 -1.11 0.00 0.00 56.01 55.28 2igq n LEU 1200Cb 0.63 -1.48 -0.07 0.00 0.53 0.00 0.00 43.42 43.03 2igq n LEU 1200CO 0.11 0.01 0.01 -0.63 -1.11 0.00 0.00 177.39 175.79 2igq s ILE 1201N 4.84 5.27 0.31 1.96 1.01 0.05 -4.96 121.20 129.68 2igq s ILE 1201Ca 0.92 0.58 -0.01 0.00 0.00 0.00 0.00 60.65 62.14 2igq s ILE 1201Cb -0.51 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2igq s ILE 1201CO 0.44 0.33 0.52 -1.83 0.00 0.00 0.00 174.94 174.40 2igq s GLU 1202N 0.89 3.51 0.15 2.79 -1.05 -1.26 -0.13 118.70 123.61 2igq s GLU 1202Ca 0.17 -0.29 -0.34 0.00 -0.15 0.00 0.00 54.97 54.36 2igq s GLU 1202Cb -0.14 -2.69 -0.16 0.00 -0.44 0.00 0.00 34.13 30.70 2igq s GLU 1202CO 0.06 0.21 1.22 0.00 0.95 0.00 0.00 175.26 177.69 2igq n ALA 1203N -1.45 -0.73 0.00 -0.84 0.00 -1.20 -1.13 120.51 115.16 2igq n ALA 1203Ca -0.04 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2igq n ALA 1203Cb 0.55 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2igq n ALA 1203CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2igq n GLY 1204N 2.16 2.45 3.70 0.00 0.00 0.18 -4.93 105.19 108.75 2igq n GLY 1204Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2igq n GLY 1204CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2igq s GLU 1205N -0.47 4.26 0.36 1.61 2.02 -0.28 -4.70 118.70 121.49 2igq s GLU 1205Ca 0.00 2.16 -0.28 0.00 0.02 0.00 0.00 54.97 56.87 2igq s GLU 1205Cb 0.00 -3.42 -0.11 0.00 0.10 0.00 0.00 34.13 30.69 2igq s GLU 1205CO 0.00 -0.59 1.47 0.94 0.02 0.00 0.00 175.26 177.11 2igq n GLN 1206N 4.81 2.59 -2.68 1.61 7.27 -1.26 -1.06 117.38 128.65 2igq n GLN 1206Ca 0.14 0.91 -0.38 0.00 0.07 0.00 0.00 57.00 57.74 2igq n GLN 1206Cb 0.42 -2.62 -0.06 0.00 2.41 0.00 0.00 30.24 30.39 2igq n GLN 1206CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2igq s LEU 1207N -1.63 4.37 -0.04 1.69 1.43 0.15 -4.89 118.68 119.75 2igq s LEU 1207Ca 0.55 1.95 -0.07 0.00 -1.03 0.00 0.00 54.13 55.54 2igq s LEU 1207Cb -0.50 -3.94 0.01 0.00 0.03 0.00 0.00 46.19 41.80 2igq s LEU 1207CO 0.61 -0.14 0.17 -0.83 0.23 0.00 0.00 176.35 176.39 2igq s GLY 1208N -1.44 -0.08 0.27 -3.19 0.00 -1.26 -4.00 107.32 97.62 2igq s GLY 1208Ca 0.50 0.30 0.04 0.00 0.00 0.00 0.00 44.72 45.56 2igq s GLY 1208CO 0.28 0.21 0.01 -0.11 0.00 0.00 0.00 173.10 173.50 2igq s PHE 1209N -0.36 1.74 -0.48 1.90 -0.12 -1.12 -2.00 117.98 117.53 2igq s PHE 1209Ca -0.05 -0.91 -0.21 0.00 -0.05 0.00 0.00 56.93 55.71 2igq s PHE 1209Cb -0.03 -1.04 0.04 0.00 -0.63 0.00 0.00 43.02 41.35 2igq s PHE 1209CO 0.01 0.01 0.72 0.34 -0.05 0.00 0.00 175.22 176.24 2igq s ASP 1210N -3.38 6.31 0.66 1.98 -1.08 -1.25 -1.50 116.67 118.42 2igq s ASP 1210Ca 0.31 -0.46 0.45 0.00 -0.52 0.00 0.00 52.55 52.33 2igq s ASP 1210Cb 0.06 -2.34 2.43 0.00 -1.46 0.00 0.00 42.92 41.61 2igq s ASP 1210CO 0.11 -0.92 2.37 1.88 0.52 0.00 0.00 175.17 179.13 2igq h TYR 1211N 9.01 0.00 0.00 -5.34 -1.99 -1.94 -3.48 116.97 113.23 2igq h TYR 1211Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 2igq h TYR 1211Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 2igq h TYR 1211CO 0.78 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.35 2igq n GLY 1212N -1.08 -1.29 0.19 3.88 0.00 -1.26 -4.50 105.19 101.12 2igq n GLY 1212Ca -0.03 -1.60 -0.21 0.00 0.00 0.00 0.00 46.02 44.18 2igq n GLY 1212CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2igq h GLU 1213N 0.00 0.66 -0.79 1.61 3.07 -1.99 -2.92 114.58 114.22 2igq h GLU 1213Ca 0.00 -0.78 0.15 0.00 -0.50 0.00 0.00 59.36 58.23 2igq h GLU 1213Cb 0.00 0.24 -0.15 0.00 -0.84 0.00 0.00 28.75 28.00 2igq h GLU 1213CO 0.00 1.34 -0.26 -0.09 -1.40 0.00 0.00 179.01 178.60 2igq h ARG 1214N 0.33 -0.04 -0.06 2.33 2.43 -1.99 0.32 114.38 117.70 2igq h ARG 1214Ca -0.15 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.04 2igq h ARG 1214Cb 1.77 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.31 2igq h ARG 1214CO 0.21 -0.02 -0.04 0.35 -1.51 0.00 0.00 179.97 178.96 2igq h PHE 1215N -0.04 -0.10 0.00 2.20 3.57 -1.74 -2.93 116.94 117.90 2igq h PHE 1215Ca 0.35 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.74 2igq h PHE 1215Cb 0.59 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2igq h PHE 1215CO -0.68 -0.07 -0.54 -1.49 -2.23 0.00 0.00 178.31 173.31 2igq h TRP 1216N -0.05 0.00 -0.63 0.41 4.06 -1.25 -0.10 115.95 118.39 2igq h TRP 1216Ca 0.04 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.04 2igq h TRP 1216Cb 0.11 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.23 2igq h TRP 1216CO -0.14 0.54 0.42 0.22 -3.56 0.00 0.00 178.44 175.91 2igq h ASP 1217N 0.00 0.57 0.00 -3.49 3.58 -0.33 -3.12 116.42 113.63 2igq h ASP 1217Ca -0.01 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2igq h ASP 1217Cb 1.16 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 2igq h ASP 1217CO 0.07 0.38 -0.12 0.40 -2.88 0.00 0.00 179.24 177.09 2igq h ILE 1218N 0.66 1.20 -3.22 2.25 2.04 -1.32 -3.51 117.51 115.60 2igq h ILE 1218Ca 0.27 -1.94 -0.57 0.00 1.00 0.00 0.00 64.86 63.62 2igq h ILE 1218Cb 0.23 2.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.56 2igq h ILE 1218CO -0.08 0.41 0.94 -0.54 0.00 0.00 0.00 178.15 178.88 2igq s LYS 1219N -2.06 3.93 0.00 2.37 3.01 -0.07 -5.01 119.74 121.91 2igq s LYS 1219Ca -0.15 1.16 0.00 0.00 -1.01 0.00 0.00 55.97 55.97 2igq s LYS 1219Cb -0.01 -3.85 0.00 0.00 -1.01 0.00 0.00 37.83 32.95 2igq s LYS 1219CO 0.49 -1.10 0.00 1.28 0.51 0.00 0.00 175.35 176.52 2igq n LEU 1222N 7.51 0.00 -3.86 3.17 4.77 -1.26 -4.73 117.00 122.60 2igq n LEU 1222Ca 0.14 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.03 2igq n LEU 1222Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2igq n LEU 1222CO 0.63 0.00 0.12 0.72 -1.33 0.00 0.00 177.39 177.53 2igq s PHE 1223N 0.00 0.16 0.23 -1.77 -0.12 -1.26 -5.18 117.98 110.05 2igq s PHE 1223Ca 0.00 -0.52 0.08 0.00 -0.05 0.00 0.00 56.93 56.44 2igq s PHE 1223Cb 0.00 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 2igq s PHE 1223CO 0.00 -0.82 0.03 -1.54 -0.05 0.00 0.00 175.22 172.84 2igq s SER 1224N -2.93 4.80 0.28 1.98 1.04 -1.26 -5.08 113.70 112.53 2igq s SER 1224Ca 0.14 -0.49 -0.30 0.00 0.48 0.00 0.00 55.95 55.78 2igq s SER 1224Cb 0.01 -1.01 -0.11 0.00 0.10 0.00 0.00 66.02 65.01 2igq s SER 1224CO -0.01 0.02 1.56 0.00 0.98 0.00 0.00 173.24 175.80 2igq n ARG 1226N 2.32 2.44 0.25 0.00 1.74 -1.26 -4.50 116.66 117.65 2igq n ARG 1226Ca 0.08 -2.79 0.10 0.00 -0.77 0.00 0.00 57.85 54.48 2igq n ARG 1226Cb 0.38 -1.75 0.66 0.00 -1.02 0.00 0.00 32.46 30.73 2igq n ARG 1226CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2igq n GLY 1228N -0.82 0.55 3.73 0.00 0.00 -1.26 -4.99 105.19 102.41 2igq n GLY 1228Ca -0.02 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 2igq n GLY 1228CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2igq s SER 1229N -2.39 7.23 0.66 1.61 0.15 -1.26 -4.92 113.70 114.78 2igq s SER 1229Ca 0.00 2.05 0.35 0.00 0.70 0.00 0.00 55.95 59.05 2igq s SER 1229Cb 0.00 -2.60 1.88 0.00 -1.71 0.00 0.00 66.02 63.59 2igq s SER 1229CO 0.00 -0.28 2.06 -0.65 1.20 0.00 0.00 173.24 175.57 2igq h PRO 1230N 5.56 0.00 -0.38 5.44 0.11 -2.03 -1.89 132.00 138.81 2igq h PRO 1230Ca -0.44 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.52 2igq h PRO 1230Cb 1.21 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 2igq h PRO 1230CO 0.74 0.00 0.01 1.63 -0.21 0.00 0.00 178.00 180.17 2igq n LYS 1231N -2.93 2.20 -1.67 1.05 4.76 -1.26 -5.05 118.16 115.25 2igq n LYS 1231Ca -0.02 -3.07 -0.44 0.00 -2.87 0.00 0.00 58.31 51.91 2igq n LYS 1231Cb 0.28 -1.86 -0.01 0.00 -1.84 0.00 0.00 35.03 31.59 2igq n LYS 1231CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2igq n ARG 1233N 1.03 0.90 -0.54 0.00 1.74 -1.26 -4.55 116.66 113.99 2igq n ARG 1233Ca 0.07 -1.31 0.02 0.00 -0.77 0.00 0.00 57.85 55.86 2igq n ARG 1233Cb 0.34 -1.24 0.03 0.00 -1.02 0.00 0.00 32.46 30.56 2igq n ARG 1233CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2igq n HIS 1234N 0.70 0.00 1.31 -1.55 8.25 -1.26 -5.11 115.22 117.56 2igq n HIS 1234Ca 0.08 -0.25 0.10 0.00 -0.26 0.00 0.00 57.72 57.39 2igq n HIS 1234Cb 0.32 -0.08 0.62 0.00 1.12 0.00 0.00 29.99 31.97 2igq n HIS 1234CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41