#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k5k s LYS 920 N 0.00 1.37 -0.20 3.49 -0.14 -1.26 -5.03 119.74 117.97 3k5k s LYS 920 Ca 0.00 -1.45 -0.35 0.00 -1.36 0.00 0.00 55.97 52.81 3k5k s LYS 920 Cb 0.00 -1.55 -0.11 0.00 -1.68 0.00 0.00 37.83 34.49 3k5k s LYS 920 CO 0.00 0.32 1.99 -0.89 -0.76 0.00 0.00 175.35 176.01 3k5k n ILE 921 N 0.30 0.42 -0.06 2.17 5.41 -1.26 -4.55 119.36 121.78 3k5k n ILE 921 Ca -0.13 -0.18 -0.20 0.00 1.00 0.00 0.00 62.75 63.24 3k5k n ILE 921 Cb 0.57 -1.81 -0.13 0.00 -0.71 0.00 0.00 39.64 37.56 3k5k n ILE 921 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3k5k h ILE 922 N 6.07 1.20 -3.32 1.39 5.03 -1.43 -3.46 117.51 122.98 3k5k h ILE 922 Ca -0.42 -2.29 -0.66 0.00 -0.12 0.00 0.00 64.86 61.37 3k5k h ILE 922 Cb 1.29 2.70 -0.33 0.00 -3.03 0.00 0.00 36.82 37.44 3k5k h ILE 922 CO 0.97 0.51 -0.87 0.00 -0.68 0.00 0.00 178.15 178.08 3k5k h ARG 924 N 6.86 0.44 -1.20 0.00 3.08 -1.89 0.96 114.38 122.62 3k5k h ARG 924 Ca -0.23 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 3k5k h ARG 924 Cb 1.22 -0.01 -0.23 0.00 0.08 0.00 0.00 29.97 31.04 3k5k h ARG 924 CO 0.48 0.74 -0.39 0.34 -1.07 0.00 0.00 179.97 180.08 3k5k s ASP 925 N -6.85 -1.06 0.58 7.04 2.15 -1.26 -3.16 116.67 114.11 3k5k s ASP 925 Ca -0.06 0.28 0.38 0.00 0.43 0.00 0.00 52.55 53.58 3k5k s ASP 925 Cb 0.13 1.83 1.89 0.00 -0.30 0.00 0.00 42.92 46.47 3k5k s ASP 925 CO 0.80 -0.30 2.15 -0.37 -0.17 0.00 0.00 175.17 177.28 3k5k h VAL 926 N 6.04 0.00 -0.01 1.11 -1.51 -1.32 -2.40 116.25 118.17 3k5k h VAL 926 Ca -0.10 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 3k5k h VAL 926 Cb 1.17 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 3k5k h VAL 926 CO 0.21 0.00 -0.14 0.00 -1.23 0.00 0.00 177.57 176.41 3k5k n ALA 927 N -2.04 2.84 -3.90 5.19 0.00 -1.26 -4.84 120.51 116.49 3k5k n ALA 927 Ca -0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 53.44 52.75 3k5k n ALA 927 Cb 0.16 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.43 3k5k n ALA 927 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k5k n ARG 928 N -0.50 -5.66 -1.00 0.00 1.74 -0.90 -1.55 116.66 108.80 3k5k n ARG 928 Ca 0.15 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 3k5k n ARG 928 Cb 0.32 -5.51 0.00 0.00 -1.02 0.00 0.00 32.46 26.25 3k5k n ARG 928 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k5k n GLY 929 N -1.71 0.48 0.14 -0.13 0.00 -1.26 -4.93 105.19 97.78 3k5k n GLY 929 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3k5k n GLY 929 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3k5k h TYR 930 N 0.00 0.00 -1.66 1.61 -1.99 -1.65 -3.46 116.97 109.82 3k5k h TYR 930 Ca 0.00 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 60.29 3k5k h TYR 930 Cb 0.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.84 3k5k h TYR 930 CO 0.07 0.00 -0.33 -1.21 -0.00 0.00 0.00 178.16 176.69 3k5k s GLU 931 N -3.20 2.94 0.50 4.88 0.41 -1.26 -4.93 118.70 118.05 3k5k s GLU 931 Ca 0.07 -1.15 0.16 0.00 -0.41 0.00 0.00 54.97 53.63 3k5k s GLU 931 Cb 0.09 -2.74 1.22 0.00 -1.78 0.00 0.00 34.13 30.92 3k5k s GLU 931 CO 0.68 -0.07 2.11 -0.91 -0.49 0.00 0.00 175.26 176.58 3k5k h ASN 932 N 0.85 0.00 -4.13 -0.19 2.35 -1.90 -3.43 115.58 109.13 3k5k h ASN 932 Ca -0.43 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 54.91 3k5k h ASN 932 Cb 1.26 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.45 3k5k h ASN 932 CO 0.51 0.05 -0.76 0.68 -1.65 0.00 0.00 177.43 176.26 3k5k s VAL 933 N -4.92 1.26 0.63 2.81 -7.23 -1.26 -5.08 120.40 106.61 3k5k s VAL 933 Ca -0.05 -1.67 -0.15 0.00 -1.81 0.00 0.00 61.98 58.31 3k5k s VAL 933 Cb 0.17 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.62 3k5k s VAL 933 CO 0.67 -0.41 1.08 -2.16 -0.31 0.00 0.00 175.10 173.97 3k5k s PRO 934 N -2.59 3.07 -0.42 4.82 0.04 -1.26 -4.95 135.00 133.71 3k5k s PRO 934 Ca 0.07 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.39 3k5k s PRO 934 Cb -0.05 -2.00 0.12 0.00 0.04 0.00 0.00 34.50 32.61 3k5k s PRO 934 CO 0.03 -1.02 0.18 0.42 0.04 0.00 0.00 177.00 176.65 3k5k s ILE 935 N -2.48 1.83 0.67 0.56 1.01 -1.26 -4.67 121.20 116.86 3k5k s ILE 935 Ca 0.64 -2.54 -0.12 0.00 0.00 0.00 0.00 60.65 58.63 3k5k s ILE 935 Cb -0.17 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 3k5k s ILE 935 CO 0.41 -0.77 1.06 -2.16 0.00 0.00 0.00 174.94 173.47 3k5k s PRO 936 N 0.49 3.05 -0.09 2.79 0.04 -1.19 -0.95 135.00 139.13 3k5k s PRO 936 Ca 0.15 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.23 3k5k s PRO 936 Cb -0.23 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 3k5k s PRO 936 CO -0.06 -1.01 -0.23 0.00 0.04 0.00 0.00 177.00 175.73 3k5k s VAL 938 N 0.30 1.27 -0.22 0.00 -7.23 -0.49 -0.95 120.40 113.08 3k5k s VAL 938 Ca -0.17 -1.45 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 3k5k s VAL 938 Cb -0.17 -1.27 0.07 0.00 0.56 0.00 0.00 36.38 35.56 3k5k s VAL 938 CO 0.08 -0.24 0.03 0.21 -0.31 0.00 0.00 175.10 174.87 3k5k s ASN 939 N -1.95 3.20 -0.11 4.85 3.84 -1.26 -2.65 114.94 120.86 3k5k s ASN 939 Ca 0.02 -0.99 0.15 0.00 0.21 0.00 0.00 52.86 52.25 3k5k s ASN 939 Cb -0.09 -0.70 0.49 0.00 -0.55 0.00 0.00 41.25 40.40 3k5k s ASN 939 CO 0.03 -0.31 1.40 0.61 -2.79 0.00 0.00 177.10 176.03 3k5k n GLY 940 N 4.98 3.42 0.87 1.21 0.00 -1.26 -4.63 105.19 109.78 3k5k n GLY 940 Ca -0.08 -0.79 -0.04 0.00 0.00 0.00 0.00 46.02 45.11 3k5k n GLY 940 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k5k n VAL 941 N 0.07 0.66 -3.36 1.61 0.31 -1.26 -4.77 118.33 111.58 3k5k n VAL 941 Ca 0.19 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 3k5k n VAL 941 Cb 0.75 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 3k5k n VAL 941 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3k5k n ASP 942 N -3.38 0.00 -1.05 4.52 5.68 -1.26 -5.07 116.55 115.99 3k5k n ASP 942 Ca -0.06 -0.39 0.11 0.00 -0.50 0.00 0.00 54.79 53.95 3k5k n ASP 942 Cb 0.38 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.61 3k5k n ASP 942 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k5k n GLY 943 N 0.00 1.50 3.67 6.12 0.00 -1.26 -4.95 105.19 110.27 3k5k n GLY 943 Ca 0.00 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 3k5k n GLY 943 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k5k s GLU 944 N -1.50 4.23 0.86 1.61 0.41 -1.26 -5.00 118.70 118.05 3k5k s GLU 944 Ca 0.38 1.95 -0.11 0.00 -0.41 0.00 0.00 54.97 56.78 3k5k s GLU 944 Cb 0.22 -3.78 0.11 0.00 -1.78 0.00 0.00 34.13 28.89 3k5k s GLU 944 CO 0.30 -0.71 1.11 -1.25 -0.49 0.00 0.00 175.26 174.22 3k5k s PRO 945 N 3.34 1.51 0.31 0.39 0.04 -1.26 -4.92 135.00 134.42 3k5k s PRO 945 Ca 0.64 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.63 3k5k s PRO 945 Cb -0.29 -1.81 -0.13 0.00 0.04 0.00 0.00 34.50 32.32 3k5k s PRO 945 CO 0.24 -2.19 1.33 0.00 0.04 0.00 0.00 177.00 176.42 3k5k s PRO 947 N -1.44 4.46 0.00 0.00 0.04 -1.26 -4.94 135.00 131.86 3k5k s PRO 947 Ca 0.59 2.07 0.01 0.00 0.04 0.00 0.00 61.00 63.71 3k5k s PRO 947 Cb -0.59 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 30.85 3k5k s PRO 947 CO 0.58 -0.05 1.00 -0.85 0.04 0.00 0.00 177.00 177.72 3k5k n GLU 948 N 1.04 0.00 -1.48 4.56 0.28 -1.26 -4.88 120.64 118.90 3k5k n GLU 948 Ca -0.00 -1.03 -0.27 0.00 -0.16 0.00 0.00 57.16 55.70 3k5k n GLU 948 Cb 0.43 -0.47 -0.04 0.00 1.43 0.00 0.00 31.44 32.79 3k5k n GLU 948 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3k5k n ASP 949 N 0.02 6.59 -3.60 -1.84 4.64 -1.26 -4.85 116.55 116.25 3k5k n ASP 949 Ca 0.00 -3.26 -0.05 0.00 -1.38 0.00 0.00 54.79 50.10 3k5k n ASP 949 Cb 0.72 -1.20 -0.02 0.00 -1.04 0.00 0.00 41.12 39.58 3k5k n ASP 949 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 3k5k s TYR 950 N -1.98 -0.22 -0.25 -0.67 -0.85 -1.26 -4.85 117.35 107.28 3k5k s TYR 950 Ca 0.56 0.05 -0.07 0.00 -0.52 0.00 0.00 57.07 57.09 3k5k s TYR 950 Cb 0.38 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 43.26 3k5k s TYR 950 CO -0.22 -0.55 0.07 0.21 -1.52 0.00 0.00 175.55 173.54 3k5k s LYS 951 N -2.99 3.67 -0.04 -3.49 2.47 0.61 -5.00 119.74 114.96 3k5k s LYS 951 Ca 0.09 -0.47 -0.30 0.00 -1.56 0.00 0.00 55.97 53.73 3k5k s LYS 951 Cb -0.00 -3.32 -0.04 0.00 -1.46 0.00 0.00 37.83 33.01 3k5k s LYS 951 CO -0.05 -0.17 1.33 -0.47 0.16 0.00 0.00 175.35 176.16 3k5k s TYR 952 N 1.56 2.92 0.02 4.03 5.04 -1.26 -1.83 117.35 127.83 3k5k s TYR 952 Ca 0.06 0.94 0.05 0.00 -2.44 0.00 0.00 57.07 55.68 3k5k s TYR 952 Cb -0.15 -3.58 -0.02 0.00 0.35 0.00 0.00 41.96 38.56 3k5k s TYR 952 CO 0.04 -2.05 -0.15 0.96 -1.34 0.00 0.00 175.55 173.00 3k5k s ILE 953 N 2.55 1.23 -0.42 3.14 -4.36 0.11 -4.90 121.20 118.55 3k5k s ILE 953 Ca 0.61 -0.91 0.23 0.00 -0.26 0.00 0.00 60.65 60.32 3k5k s ILE 953 Cb -0.28 -1.07 0.05 0.00 1.25 0.00 0.00 42.46 42.41 3k5k s ILE 953 CO 0.24 0.15 1.21 0.77 0.24 0.00 0.00 174.94 177.55 3k5k h SER 954 N 5.21 0.00 -4.58 4.36 4.64 -1.92 -3.25 113.55 118.02 3k5k h SER 954 Ca -0.38 -0.09 -0.24 0.00 -0.47 0.00 0.00 61.79 60.62 3k5k h SER 954 Cb 1.17 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.10 3k5k h SER 954 CO 0.46 0.04 -0.70 -1.61 -0.87 0.00 0.00 176.83 174.14 3k5k s GLU 955 N -3.27 0.81 0.43 4.77 2.02 -1.26 -4.98 118.70 117.22 3k5k s GLU 955 Ca 0.03 -1.26 -0.25 0.00 0.02 0.00 0.00 54.97 53.51 3k5k s GLU 955 Cb 0.11 -0.26 -0.10 0.00 0.10 0.00 0.00 34.13 33.98 3k5k s GLU 955 CO 0.75 0.00 1.15 0.09 0.02 0.00 0.00 175.26 177.27 3k5k n ASN 956 N 0.18 1.94 -4.56 -0.19 3.02 -1.26 -4.74 115.26 109.64 3k5k n ASN 956 Ca -0.14 1.07 -0.26 0.00 -0.03 0.00 0.00 54.58 55.22 3k5k n ASN 956 Cb 0.60 -1.43 -0.11 0.00 -0.61 0.00 0.00 39.78 38.23 3k5k n ASN 956 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k5k s GLU 958 N -3.66 1.08 -0.03 0.00 -1.05 -1.26 -1.13 118.70 112.66 3k5k s GLU 958 Ca 0.33 -1.21 0.04 0.00 -0.15 0.00 0.00 54.97 53.98 3k5k s GLU 958 Cb 0.05 -1.15 0.06 0.00 -0.44 0.00 0.00 34.13 32.65 3k5k s GLU 958 CO 0.17 0.24 0.90 0.25 0.95 0.00 0.00 175.26 177.77 3k5k n THR 959 N 0.76 0.79 -3.90 1.83 -2.24 -1.26 -4.99 114.28 105.26 3k5k n THR 959 Ca -0.17 -0.87 -0.09 0.00 -2.27 0.00 0.00 64.05 60.65 3k5k n THR 959 Cb 0.55 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 69.25 3k5k n THR 959 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3k5k s SER 960 N -1.12 0.10 -0.29 3.42 1.04 -1.26 -5.12 113.70 110.47 3k5k s SER 960 Ca 0.06 -1.05 -0.29 0.00 0.48 0.00 0.00 55.95 55.16 3k5k s SER 960 Cb 0.06 0.74 -0.01 0.00 0.10 0.00 0.00 66.02 66.91 3k5k s SER 960 CO 0.01 -1.45 1.58 -0.89 0.98 0.00 0.00 173.24 173.47 3k5k s THR 961 N -3.12 3.74 -0.08 2.02 2.01 -1.26 -4.83 115.64 114.12 3k5k s THR 961 Ca 0.18 0.81 0.07 0.00 0.31 0.00 0.00 61.69 63.06 3k5k s THR 961 Cb -0.04 -3.84 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 3k5k s THR 961 CO 0.12 -0.42 0.02 0.23 -0.69 0.00 0.00 174.62 173.87 3k5k n MET 962 N 7.85 2.49 -3.75 4.92 2.81 -1.26 -5.05 117.12 125.14 3k5k n MET 962 Ca 0.19 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.79 3k5k n MET 962 Cb 0.46 -1.21 0.03 0.00 -0.71 0.00 0.00 33.22 31.79 3k5k n MET 962 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3k5k n ASN 963 N -2.34 -3.73 -4.68 7.83 4.13 -1.26 -4.88 115.26 110.33 3k5k n ASN 963 Ca -0.14 -1.00 -0.44 0.00 1.68 0.00 0.00 54.58 54.68 3k5k n ASN 963 Cb 0.76 -3.37 -0.03 0.00 -1.54 0.00 0.00 39.78 35.60 3k5k n ASN 963 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3k5k n ILE 964 N -4.24 0.83 -2.23 2.41 5.41 -1.26 -4.85 119.36 115.43 3k5k n ILE 964 Ca -0.16 -0.21 -0.40 0.00 1.00 0.00 0.00 62.75 62.98 3k5k n ILE 964 Cb 0.62 -1.55 -0.03 0.00 -0.71 0.00 0.00 39.64 37.98 3k5k n ILE 964 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3k5k s ASP 965 N 0.40 5.63 -0.18 4.38 2.15 -1.26 -4.81 116.67 122.99 3k5k s ASP 965 Ca 0.69 0.12 0.16 0.00 0.43 0.00 0.00 52.55 53.95 3k5k s ASP 965 Cb -0.63 -2.54 0.70 0.00 -0.30 0.00 0.00 42.92 40.14 3k5k s ASP 965 CO 0.48 -2.14 1.61 0.54 -0.17 0.00 0.00 175.17 175.49 3k5k n ARG 966 N 9.18 4.01 -1.96 4.34 1.74 -1.26 -4.35 116.66 128.37 3k5k n ARG 966 Ca 0.14 -2.96 -0.43 0.00 -0.77 0.00 0.00 57.85 53.83 3k5k n ARG 966 Cb 0.51 -2.02 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 3k5k n ARG 966 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3k5k s ASN 967 N -1.13 6.11 0.49 0.55 3.84 -1.26 -4.85 114.94 118.69 3k5k s ASN 967 Ca 0.49 1.69 0.14 0.00 0.21 0.00 0.00 52.86 55.39 3k5k s ASN 967 Cb 0.36 -2.53 1.17 0.00 -0.55 0.00 0.00 41.25 39.70 3k5k s ASN 967 CO 0.16 -1.47 2.11 -0.29 -2.79 0.00 0.00 177.10 174.82 3k5k h ILE 968 N 6.43 1.04 0.00 -5.21 2.10 -1.95 0.12 117.51 120.04 3k5k h ILE 968 Ca -0.36 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.44 3k5k h ILE 968 Cb 1.18 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 3k5k h ILE 968 CO 1.00 0.04 0.00 0.71 -1.08 0.00 0.00 178.15 178.82 3k5k h THR 969 N 0.08 0.00 -0.03 2.19 1.35 -2.02 -2.59 112.91 111.89 3k5k h THR 969 Ca 0.02 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3k5k h THR 969 Cb 0.05 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 3k5k h THR 969 CO 0.00 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.68 3k5k n HIS 970 N -2.31 0.02 -2.88 4.73 8.25 0.42 -4.88 115.22 118.57 3k5k n HIS 970 Ca 0.02 -0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 3k5k n HIS 970 Cb 0.25 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.32 3k5k n HIS 970 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3k5k s LEU 971 N -1.96 4.16 0.24 2.41 1.43 -0.98 -4.88 118.68 119.10 3k5k s LEU 971 Ca 0.39 1.16 -0.30 0.00 -1.03 0.00 0.00 54.13 54.35 3k5k s LEU 971 Cb 0.21 -3.24 -0.09 0.00 0.03 0.00 0.00 46.19 43.10 3k5k s LEU 971 CO 0.33 -0.43 1.16 -1.10 0.23 0.00 0.00 176.35 176.55 3k5k s GLN 972 N 2.30 4.54 0.15 1.70 -0.21 -1.26 -5.01 119.66 121.87 3k5k s GLN 972 Ca 0.38 1.87 -0.15 0.00 0.02 0.00 0.00 55.36 57.49 3k5k s GLN 972 Cb -0.16 -3.20 0.02 0.00 1.00 0.00 0.00 33.01 30.67 3k5k s GLN 972 CO 0.11 0.03 0.41 -3.38 -2.12 0.00 0.00 175.29 170.34 3k5k s HIS 973 N -0.61 -0.05 0.39 0.91 -3.43 -1.26 -4.91 115.29 106.33 3k5k s HIS 973 Ca 0.49 -0.30 0.08 0.00 -0.80 0.00 0.00 55.06 54.53 3k5k s HIS 973 Cb -0.33 0.23 -0.00 0.00 -1.43 0.00 0.00 32.58 31.04 3k5k s HIS 973 CO 0.40 -0.76 0.48 0.00 -2.00 0.00 0.00 174.74 172.86 3k5k n THR 975 N -1.70 1.13 -1.70 0.00 -2.24 -1.26 -2.09 114.28 106.43 3k5k n THR 975 Ca 0.04 -1.10 -0.43 0.00 -2.27 0.00 0.00 64.05 60.29 3k5k n THR 975 Cb 0.59 0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 69.23 3k5k n THR 975 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k5k n VAL 977 N 1.38 1.11 -1.08 0.00 0.24 -1.26 -3.16 118.33 115.55 3k5k n VAL 977 Ca 0.08 -1.10 0.00 0.00 -2.04 0.00 0.00 64.34 61.29 3k5k n VAL 977 Cb 0.34 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 3k5k n VAL 977 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3k5k n ASP 978 N 0.02 0.00 -1.38 -1.34 3.85 -1.26 -5.01 116.55 111.43 3k5k n ASP 978 Ca 0.08 0.00 0.05 0.00 -0.71 0.00 0.00 54.79 54.21 3k5k n ASP 978 Cb 0.40 0.00 0.27 0.00 -1.35 0.00 0.00 41.12 40.44 3k5k n ASP 978 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3k5k n ASP 979 N 0.00 4.02 -2.83 -1.12 5.75 -1.26 -4.61 116.55 116.50 3k5k n ASP 979 Ca 0.00 -2.54 -0.21 0.00 -0.01 0.00 0.00 54.79 52.03 3k5k n ASP 979 Cb 0.00 -0.58 0.01 0.00 -1.03 0.00 0.00 41.12 39.52 3k5k n ASP 979 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k5k n SER 981 N -2.27 0.76 -4.87 0.00 3.41 -1.26 -4.67 113.62 104.72 3k5k n SER 981 Ca -0.14 -0.61 -0.30 0.00 -0.26 0.00 0.00 58.87 57.56 3k5k n SER 981 Cb 0.63 0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 3k5k n SER 981 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3k5k s SER 982 N -2.67 6.54 0.00 4.04 1.04 -1.26 -4.97 113.70 116.43 3k5k s SER 982 Ca 0.20 1.12 0.15 0.00 0.48 0.00 0.00 55.95 57.91 3k5k s SER 982 Cb 0.19 -2.32 0.74 0.00 0.10 0.00 0.00 66.02 64.73 3k5k s SER 982 CO 0.57 -0.36 1.45 -1.54 0.98 0.00 0.00 173.24 174.34 3k5k n SER 983 N -1.17 0.00 -0.12 7.02 3.41 -1.26 -2.48 113.62 119.02 3k5k n SER 983 Ca 0.02 0.20 0.14 0.00 -0.26 0.00 0.00 58.87 58.97 3k5k n SER 983 Cb 0.54 -0.35 0.57 0.00 -0.26 0.00 0.00 64.21 64.70 3k5k n SER 983 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3k5k n ASN 984 N -1.35 0.52 -4.65 4.04 5.15 -1.26 -4.73 115.26 112.98 3k5k n ASN 984 Ca 0.06 -0.55 -0.43 0.00 -0.60 0.00 0.00 54.58 53.06 3k5k n ASN 984 Cb 0.14 -0.05 -0.03 0.00 -0.53 0.00 0.00 39.78 39.30 3k5k n ASN 984 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k5k h LEU 986 N 11.09 0.89 -0.73 0.00 5.85 -1.88 -1.61 115.31 128.91 3k5k h LEU 986 Ca -0.48 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.06 3k5k h LEU 986 Cb 1.25 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 3k5k h LEU 986 CO 0.95 0.93 0.46 0.00 -0.34 0.00 0.00 178.44 180.43 3k5k h GLY 988 N 0.88 0.52 1.27 0.00 0.00 -1.70 -2.92 103.07 101.11 3k5k h GLY 988 Ca 0.30 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.44 3k5k h GLY 988 CO -0.12 0.25 0.33 1.46 0.00 0.00 0.00 176.54 178.45 3k5k h GLN 989 N 0.41 0.36 0.00 4.80 4.20 -0.89 -0.86 115.11 123.13 3k5k h GLN 989 Ca 0.12 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 3k5k h GLN 989 Cb 0.12 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3k5k h GLN 989 CO -0.01 0.24 -0.33 -0.07 -0.67 0.00 0.00 178.83 177.98 3k5k h LEU 990 N 0.37 0.00 -1.57 1.46 3.38 -1.09 -1.96 115.31 115.91 3k5k h LEU 990 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3k5k h LEU 990 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3k5k h LEU 990 CO -0.05 0.33 0.00 -1.20 0.09 0.00 0.00 178.44 177.61 3k5k n SER 991 N -3.82 2.30 0.00 -0.43 7.64 -0.44 -4.84 113.62 114.02 3k5k n SER 991 Ca -0.01 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.77 3k5k n SER 991 Cb 0.41 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3k5k n SER 991 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3k5k n ILE 992 N 0.55 0.00 -3.87 0.44 -0.00 -0.74 -4.74 119.36 111.00 3k5k n ILE 992 Ca 0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.78 3k5k n ILE 992 Cb 0.40 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 39.98 3k5k n ILE 992 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3k5k s ARG 993 N 0.00 1.24 0.15 6.28 1.70 -0.53 -4.32 118.95 123.48 3k5k s ARG 993 Ca 0.00 -1.05 -0.31 0.00 -0.47 0.00 0.00 55.73 53.90 3k5k s ARG 993 Cb 0.00 0.43 -0.08 0.00 -0.57 0.00 0.00 34.95 34.73 3k5k s ARG 993 CO 0.00 -0.48 1.39 0.00 -1.08 0.00 0.00 175.30 175.12 3k5k n TRP 995 N 3.52 0.15 -3.30 0.00 7.02 -1.26 -4.90 117.44 118.67 3k5k n TRP 995 Ca 0.10 -0.08 -0.38 0.00 -1.02 0.00 0.00 57.50 56.12 3k5k n TRP 995 Cb 0.42 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.24 3k5k n TRP 995 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 3k5k s TYR 996 N -1.85 3.43 0.64 -5.99 4.12 -1.26 -0.85 117.35 115.60 3k5k s TYR 996 Ca 0.33 0.79 -0.11 0.00 0.02 0.00 0.00 57.07 58.11 3k5k s TYR 996 Cb 0.21 -2.59 0.16 0.00 -1.52 0.00 0.00 41.96 38.21 3k5k s TYR 996 CO 0.31 0.03 0.70 -0.40 0.02 0.00 0.00 175.55 176.20 3k5k n ASP 997 N 4.25 -0.85 0.25 2.29 5.68 0.16 -4.87 116.55 123.46 3k5k n ASP 997 Ca -0.06 -1.07 0.17 0.00 -0.50 0.00 0.00 54.79 53.33 3k5k n ASP 997 Cb 0.51 -0.58 0.88 0.00 -1.14 0.00 0.00 41.12 40.79 3k5k n ASP 997 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3k5k h LYS 998 N 0.00 0.00 -0.02 0.11 5.09 -1.97 -2.40 116.57 117.37 3k5k h LYS 998 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.50 3k5k h LYS 998 Cb 0.71 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.04 3k5k h LYS 998 CO 0.16 0.00 -0.10 -0.25 -2.09 0.00 0.00 179.45 177.18 3k5k n ASP 999 N -2.72 2.54 0.00 7.07 8.00 -1.26 -4.95 116.55 125.23 3k5k n ASP 999 Ca -0.02 -1.77 0.00 0.00 0.71 0.00 0.00 54.79 53.71 3k5k n ASP 999 Cb 0.10 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3k5k n ASP 999 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k5k n GLY 1000N 1.21 0.77 3.85 0.44 0.00 -0.90 -5.08 105.19 105.48 3k5k n GLY 1000Ca 0.11 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3k5k n GLY 1000CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k5k s ARG 1001N -0.58 3.26 0.40 1.61 0.52 -1.26 -4.54 118.95 118.36 3k5k s ARG 1001Ca 0.00 -0.42 -0.27 0.00 -0.52 0.00 0.00 55.73 54.52 3k5k s ARG 1001Cb 0.00 -2.98 -0.09 0.00 0.52 0.00 0.00 34.95 32.40 3k5k s ARG 1001CO 0.00 0.65 1.40 -0.51 0.02 0.00 0.00 175.30 176.86 3k5k s LEU 1002N -1.95 4.24 0.53 2.53 1.43 0.38 0.39 118.68 126.22 3k5k s LEU 1002Ca 0.26 2.87 -0.21 0.00 -1.03 0.00 0.00 54.13 56.02 3k5k s LEU 1002Cb -0.12 -3.81 -0.05 0.00 0.03 0.00 0.00 46.19 42.23 3k5k s LEU 1002CO 0.18 -0.92 1.24 -0.76 0.23 0.00 0.00 176.35 176.31 3k5k s LEU 1003N -2.34 3.85 0.50 1.79 1.43 -0.03 -4.64 118.68 119.23 3k5k s LEU 1003Ca 0.56 2.47 0.22 0.00 -1.03 0.00 0.00 54.13 56.35 3k5k s LEU 1003Cb -0.43 -4.37 1.28 0.00 0.03 0.00 0.00 46.19 42.70 3k5k s LEU 1003CO 0.56 -1.34 1.98 0.06 0.23 0.00 0.00 176.35 177.84 3k5k h GLN 1004N 1.48 0.13 0.00 1.70 -0.00 -1.93 -0.09 115.11 116.41 3k5k h GLN 1004Ca -0.50 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.14 3k5k h GLN 1004Cb 1.28 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 28.73 3k5k h GLN 1004CO 0.58 0.09 0.00 0.93 -0.00 0.00 0.00 178.83 180.42 3k5k h GLU 1005N 0.14 0.00 -6.21 0.06 3.07 -1.99 -3.46 114.58 106.19 3k5k h GLU 1005Ca 0.28 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.43 3k5k h GLU 1005Cb 0.92 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 28.88 3k5k h GLU 1005CO -0.04 0.00 0.40 0.34 -1.40 0.00 0.00 179.01 178.31 3k5k n PHE 1006N -2.46 1.36 -2.07 4.33 7.35 -0.05 -4.81 117.46 121.12 3k5k n PHE 1006Ca 0.02 0.73 -0.37 0.00 -0.76 0.00 0.00 57.45 57.07 3k5k n PHE 1006Cb 0.27 -2.29 -0.03 0.00 0.35 0.00 0.00 39.48 37.78 3k5k n PHE 1006CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3k5k s ASN 1007N 0.57 5.29 0.47 -2.13 3.84 -1.26 -4.82 114.94 116.90 3k5k s ASN 1007Ca 0.87 0.12 0.26 0.00 0.21 0.00 0.00 52.86 54.32 3k5k s ASN 1007Cb -1.03 -2.54 0.67 0.00 -0.55 0.00 0.00 41.25 37.80 3k5k s ASN 1007CO 0.50 -2.41 1.73 0.07 -2.79 0.00 0.00 177.10 174.20 3k5k h LYS 1008N 14.12 0.00 0.14 0.43 5.09 -1.94 -2.95 116.57 131.46 3k5k h LYS 1008Ca -0.20 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.54 3k5k h LYS 1008Cb 1.13 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.46 3k5k h LYS 1008CO 1.22 0.02 -0.07 -0.84 -2.09 0.00 0.00 179.45 177.69 3k5k h ILE 1009N 0.00 0.74 -2.96 0.07 -2.65 -2.01 -3.41 117.51 107.29 3k5k h ILE 1009Ca -0.00 -1.21 -0.61 0.00 1.03 0.00 0.00 64.86 64.07 3k5k h ILE 1009Cb 0.85 1.29 -0.40 0.00 -2.05 0.00 0.00 36.82 36.51 3k5k h ILE 1009CO 0.00 0.21 -0.73 -1.83 0.03 0.00 0.00 178.15 175.83 3k5k s GLU 1010N -2.94 1.52 0.44 0.16 -1.05 -1.25 -5.12 118.70 110.46 3k5k s GLU 1010Ca -0.11 -2.32 -0.26 0.00 -0.15 0.00 0.00 54.97 52.14 3k5k s GLU 1010Cb -0.00 -2.51 -0.09 0.00 -0.44 0.00 0.00 34.13 31.09 3k5k s GLU 1010CO 0.40 -1.21 1.45 -2.14 0.95 0.00 0.00 175.26 174.71 3k5k s PRO 1011N -0.07 3.72 0.72 -4.83 0.02 -1.11 -4.83 135.00 128.62 3k5k s PRO 1011Ca 0.21 2.46 -0.11 0.00 0.02 0.00 0.00 61.00 63.58 3k5k s PRO 1011Cb -0.17 -2.69 0.03 0.00 0.02 0.00 0.00 34.50 31.68 3k5k s PRO 1011CO -0.05 -0.80 1.07 -1.25 -0.33 0.00 0.00 177.00 175.63 3k5k s PRO 1012N -2.42 2.69 0.09 5.54 0.04 -1.26 -4.93 135.00 134.75 3k5k s PRO 1012Ca 0.60 0.78 -0.31 0.00 0.04 0.00 0.00 61.00 62.11 3k5k s PRO 1012Cb -0.45 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 3k5k s PRO 1012CO 0.58 -1.23 1.36 -0.51 0.04 0.00 0.00 177.00 177.24 3k5k s LEU 1013N -5.58 4.36 -0.17 -3.56 1.43 -1.26 -4.61 118.68 109.29 3k5k s LEU 1013Ca 0.59 2.25 -0.12 0.00 -1.03 0.00 0.00 54.13 55.81 3k5k s LEU 1013Cb -0.14 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 3k5k s LEU 1013CO 0.54 -0.63 0.23 -0.63 0.23 0.00 0.00 176.35 176.09 3k5k s ILE 1014N 1.28 5.34 -0.41 -0.59 1.01 -0.46 -4.33 121.20 123.05 3k5k s ILE 1014Ca 0.64 0.42 -0.05 0.00 0.00 0.00 0.00 60.65 61.65 3k5k s ILE 1014Cb -0.35 -3.57 0.10 0.00 0.01 0.00 0.00 42.46 38.65 3k5k s ILE 1014CO 0.30 0.42 0.21 -0.36 0.00 0.00 0.00 174.94 175.51 3k5k s PHE 1015N 0.35 3.46 0.73 3.97 0.08 -1.26 -0.56 117.98 124.74 3k5k s PHE 1015Ca 0.14 -2.04 -0.11 0.00 0.12 0.00 0.00 56.93 55.04 3k5k s PHE 1015Cb -0.12 -3.05 0.03 0.00 -0.57 0.00 0.00 43.02 39.30 3k5k s PHE 1015CO 0.02 -0.92 1.07 -1.21 -0.10 0.00 0.00 175.22 174.08 3k5k s GLU 1016N 1.26 2.63 0.81 0.44 2.02 0.04 -4.46 118.70 121.43 3k5k s GLU 1016Ca 0.05 0.95 -0.11 0.00 0.02 0.00 0.00 54.97 55.88 3k5k s GLU 1016Cb -0.23 -1.96 0.08 0.00 0.10 0.00 0.00 34.13 32.13 3k5k s GLU 1016CO -0.02 -1.32 1.10 0.00 0.02 0.00 0.00 175.26 175.04 3k5k n ASN 1018N -3.70 -0.67 0.05 0.00 0.23 -1.26 -4.85 115.26 105.06 3k5k n ASN 1018Ca 0.09 -2.02 0.09 0.00 -0.53 0.00 0.00 54.58 52.21 3k5k n ASN 1018Cb 0.53 1.27 0.37 0.00 -2.08 0.00 0.00 39.78 39.87 3k5k n ASN 1018CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3k5k n GLN 1019N -0.31 0.07 0.07 -3.83 0.00 -1.26 -2.05 117.38 110.06 3k5k n GLN 1019Ca 0.01 0.32 0.03 0.00 0.00 0.00 0.00 57.00 57.36 3k5k n GLN 1019Cb 0.31 -1.63 -0.04 0.00 0.00 0.00 0.00 30.24 28.87 3k5k n GLN 1019CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k5k h ALA 1020N 2.41 0.63 -2.87 2.61 0.00 -1.94 -3.48 119.26 116.61 3k5k h ALA 1020Ca 0.00 -0.57 -0.56 0.00 0.00 0.00 0.00 54.91 53.78 3k5k h ALA 1020Cb 0.28 0.16 0.14 0.00 0.00 0.00 0.00 17.79 18.37 3k5k h ALA 1020CO 0.00 0.63 0.49 0.00 0.00 0.00 0.00 179.25 180.38 3k5k n SER 1022N -0.46 0.69 -4.51 0.00 3.41 -0.89 -4.90 113.62 106.97 3k5k n SER 1022Ca 0.09 0.61 -0.29 0.00 -0.26 0.00 0.00 58.87 59.02 3k5k n SER 1022Cb 0.43 -0.78 0.16 0.00 -0.26 0.00 0.00 64.21 63.76 3k5k n SER 1022CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k5k s TRP 1024N -3.36 3.55 0.03 0.00 0.52 -1.26 -4.96 118.94 113.45 3k5k s TRP 1024Ca 0.67 1.07 0.27 0.00 0.02 0.00 0.00 56.10 58.13 3k5k s TRP 1024Cb -0.12 -2.51 1.45 0.00 -1.15 0.00 0.00 33.47 31.15 3k5k s TRP 1024CO 0.53 -0.36 1.81 -0.09 0.02 0.00 0.00 176.95 178.86 3k5k h ARG 1025N 0.40 0.00 -0.43 4.98 9.65 -1.97 -1.97 114.38 125.04 3k5k h ARG 1025Ca -0.46 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.38 3k5k h ARG 1025Cb 1.19 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.75 3k5k h ARG 1025CO 0.62 0.00 0.03 0.27 2.80 0.00 0.00 179.97 183.69 3k5k n ASN 1026N -2.45 4.56 -4.09 -3.80 6.94 -1.26 -4.97 115.26 110.20 3k5k n ASN 1026Ca -0.02 -3.06 -0.29 0.00 -0.02 0.00 0.00 54.58 51.19 3k5k n ASN 1026Cb 0.06 -0.62 0.24 0.00 -2.36 0.00 0.00 39.78 37.10 3k5k n ASN 1026CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k5k n LYS 1028N -4.81 0.43 -2.17 0.00 4.76 0.24 -3.98 118.16 112.64 3k5k n LYS 1028Ca 0.09 -0.05 -0.34 0.00 -2.87 0.00 0.00 58.31 55.14 3k5k n LYS 1028Cb 0.58 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.30 3k5k n LYS 1028CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3k5k n ASN 1029N -1.24 6.24 -1.80 4.39 5.15 -1.26 -4.67 115.26 122.08 3k5k n ASN 1029Ca 0.13 -3.78 0.01 0.00 -0.60 0.00 0.00 54.58 50.34 3k5k n ASN 1029Cb 0.26 -0.79 0.02 0.00 -0.53 0.00 0.00 39.78 38.75 3k5k n ASN 1029CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3k5k n ARG 1030N -0.52 0.47 0.12 1.20 1.74 -1.26 -1.24 116.66 117.19 3k5k n ARG 1030Ca 0.47 -2.15 -0.14 0.00 -0.77 0.00 0.00 57.85 55.26 3k5k n ARG 1030Cb 0.44 -0.27 -0.08 0.00 -1.02 0.00 0.00 32.46 31.53 3k5k n ARG 1030CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3k5k h VAL 1031N 6.22 0.85 -0.40 1.55 2.07 -1.89 -2.91 116.25 121.75 3k5k h VAL 1031Ca -0.27 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 66.68 3k5k h VAL 1031Cb 1.65 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 3k5k h VAL 1031CO 0.05 0.09 -0.34 0.58 0.02 0.00 0.00 177.57 177.97 3k5k h VAL 1032N -0.51 1.27 0.00 2.57 2.07 -1.93 -2.17 116.25 117.55 3k5k h VAL 1032Ca -0.03 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 65.97 3k5k h VAL 1032Cb 0.38 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3k5k h VAL 1032CO 0.05 0.51 0.00 0.00 0.02 0.00 0.00 177.57 178.15 3k5k n GLN 1033N -4.09 0.16 0.00 1.57 10.64 -1.22 -1.81 117.38 122.63 3k5k n GLN 1033Ca -0.02 0.45 0.13 0.00 -1.83 0.00 0.00 57.00 55.73 3k5k n GLN 1033Cb 0.52 -1.85 0.42 0.00 -0.86 0.00 0.00 30.24 28.47 3k5k n GLN 1033CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3k5k n SER 1034N -2.16 0.27 0.00 2.61 7.64 -0.82 -5.05 113.62 116.12 3k5k n SER 1034Ca 0.01 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3k5k n SER 1034Cb 0.18 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3k5k n SER 1034CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k5k n GLY 1035N 1.50 -1.94 3.72 0.23 0.00 -0.75 -4.92 105.19 103.03 3k5k n GLY 1035Ca 0.06 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 3k5k n GLY 1035CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k5k s ILE 1036N 0.00 3.78 -0.02 -0.61 1.01 -1.26 -4.92 121.20 119.18 3k5k s ILE 1036Ca 0.00 1.32 0.02 0.00 0.00 0.00 0.00 60.65 61.99 3k5k s ILE 1036Cb 0.00 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 3k5k s ILE 1036CO 0.00 0.13 0.02 0.29 0.00 0.00 0.00 174.94 175.38 3k5k n LYS 1037N 3.60 2.74 -2.48 2.79 4.76 -1.26 -4.38 118.16 123.93 3k5k n LYS 1037Ca 0.08 -0.01 -0.33 0.00 -2.87 0.00 0.00 58.31 55.19 3k5k n LYS 1037Cb 0.45 -1.05 -0.04 0.00 -1.84 0.00 0.00 35.03 32.55 3k5k n LYS 1037CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3k5k s VAL 1038N -2.08 4.29 -0.29 -0.18 -7.23 -1.26 -5.01 120.40 108.63 3k5k s VAL 1038Ca -0.01 1.22 -0.25 0.00 -1.81 0.00 0.00 61.98 61.14 3k5k s VAL 1038Cb 0.01 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.35 3k5k s VAL 1038CO 0.09 -0.50 0.86 -0.13 -0.31 0.00 0.00 175.10 175.10 3k5k s ARG 1039N -3.72 4.04 0.33 4.82 1.81 -1.26 -4.97 118.95 120.00 3k5k s ARG 1039Ca 0.62 0.78 0.09 0.00 -1.72 0.00 0.00 55.73 55.50 3k5k s ARG 1039Cb -0.11 -3.71 -0.05 0.00 -0.45 0.00 0.00 34.95 30.63 3k5k s ARG 1039CO 0.26 -0.68 0.02 -0.51 -0.68 0.00 0.00 175.30 173.71 3k5k s LEU 1040N 3.06 3.04 -0.06 2.53 1.43 -1.26 -1.08 118.68 126.34 3k5k s LEU 1040Ca 0.36 -0.90 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 3k5k s LEU 1040Cb -0.14 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.65 3k5k s LEU 1040CO 0.12 -0.20 0.14 -1.58 0.23 0.00 0.00 176.35 175.05 3k5k s GLN 1041N -3.72 0.11 -0.15 1.70 0.74 0.01 -4.14 119.66 114.21 3k5k s GLN 1041Ca 0.35 0.30 -0.25 0.00 0.05 0.00 0.00 55.36 55.80 3k5k s GLN 1041Cb -0.02 -0.09 -0.02 0.00 1.10 0.00 0.00 33.01 33.99 3k5k s GLN 1041CO 0.20 -0.11 0.82 -1.17 -0.55 0.00 0.00 175.29 174.48 3k5k s LEU 1042N 0.76 4.20 0.07 3.68 2.96 -0.34 -0.72 118.68 129.28 3k5k s LEU 1042Ca -0.06 1.19 -0.01 0.00 -0.22 0.00 0.00 54.13 55.03 3k5k s LEU 1042Cb -0.08 -3.23 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 3k5k s LEU 1042CO -0.04 -0.36 -0.00 -0.72 -1.32 0.00 0.00 176.35 173.91 3k5k s TYR 1043N 1.96 0.56 -0.20 5.38 -0.85 -0.56 -1.39 117.35 122.25 3k5k s TYR 1043Ca 0.39 -1.08 -0.20 0.00 -0.52 0.00 0.00 57.07 55.66 3k5k s TYR 1043Cb -0.17 -0.39 -0.03 0.00 0.38 0.00 0.00 41.96 41.76 3k5k s TYR 1043CO 0.14 -0.41 0.61 0.50 -1.52 0.00 0.00 175.55 174.87 3k5k s ARG 1044N -3.94 4.21 0.82 -3.49 6.06 -1.08 -0.76 118.95 120.76 3k5k s ARG 1044Ca 0.10 0.59 -0.10 0.00 -2.50 0.00 0.00 55.73 53.81 3k5k s ARG 1044Cb 0.08 -3.57 0.12 0.00 0.06 0.00 0.00 34.95 31.64 3k5k s ARG 1044CO -0.08 -0.22 1.16 0.95 -2.50 0.00 0.00 175.30 174.60 3k5k s THR 1045N 1.86 2.10 -0.00 4.11 -4.23 0.05 -4.70 115.64 114.81 3k5k s THR 1045Ca 0.28 -0.16 -0.21 0.00 -1.18 0.00 0.00 61.69 60.42 3k5k s THR 1045Cb -0.16 -2.94 -0.21 0.00 1.34 0.00 0.00 72.50 70.53 3k5k s THR 1045CO 0.10 0.00 1.13 0.00 -0.54 0.00 0.00 174.62 175.31 3k5k h ALA 1046N -1.06 0.10 0.00 3.99 0.00 -1.97 -3.42 119.26 116.90 3k5k h ALA 1046Ca -0.44 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3k5k h ALA 1046Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3k5k h ALA 1046CO 0.51 0.25 0.00 1.63 0.00 0.00 0.00 179.25 181.64 3k5k n LYS 1047N -4.34 0.33 -0.71 0.00 5.02 -1.26 -4.83 118.16 112.38 3k5k n LYS 1047Ca -0.09 -0.72 0.04 0.00 -2.02 0.00 0.00 58.31 55.51 3k5k n LYS 1047Cb 0.58 -0.90 0.05 0.00 -0.02 0.00 0.00 35.03 34.74 3k5k n LYS 1047CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3k5k n MET 1048N -0.14 0.40 0.00 1.97 2.81 -1.26 -4.88 117.12 116.02 3k5k n MET 1048Ca 0.00 -1.81 0.00 0.00 -1.81 0.00 0.00 57.70 54.08 3k5k n MET 1048Cb 0.14 -0.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.98 3k5k n MET 1048CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3k5k n GLY 1049N -0.24 2.41 3.80 3.03 0.00 -1.26 -4.70 105.19 108.23 3k5k n GLY 1049Ca 0.07 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 3k5k n GLY 1049CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3k5k s TRP 1050N 0.00 3.30 0.31 1.61 0.52 -1.26 -0.77 118.94 122.65 3k5k s TRP 1050Ca 0.00 1.64 0.04 0.00 0.02 0.00 0.00 56.10 57.80 3k5k s TRP 1050Cb 0.00 -2.94 -0.01 0.00 -1.15 0.00 0.00 33.47 29.36 3k5k s TRP 1050CO 0.00 -0.27 0.32 0.41 0.02 0.00 0.00 176.95 177.43 3k5k n GLY 1051N -0.22 2.73 3.12 0.98 0.00 0.06 -4.76 105.19 107.10 3k5k n GLY 1051Ca 0.06 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 3k5k n GLY 1051CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k5k s VAL 1052N -3.08 1.47 0.21 1.61 1.01 -1.24 -1.49 120.40 118.89 3k5k s VAL 1052Ca 0.33 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.66 3k5k s VAL 1052Cb 0.01 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 3k5k s VAL 1052CO 0.23 0.42 -0.09 0.00 0.00 0.00 0.00 175.10 175.67 3k5k s ARG 1053N 0.23 1.32 0.11 2.72 1.70 0.11 -1.07 118.95 124.07 3k5k s ARG 1053Ca -0.09 -1.62 -0.30 0.00 -0.47 0.00 0.00 55.73 53.26 3k5k s ARG 1053Cb -0.14 -0.92 -0.06 0.00 -0.57 0.00 0.00 34.95 33.27 3k5k s ARG 1053CO 0.04 0.07 0.95 0.00 -1.08 0.00 0.00 175.30 175.28 3k5k s ALA 1054N -3.15 3.26 -1.03 7.88 0.00 -0.84 -0.81 121.76 127.07 3k5k s ALA 1054Ca 0.24 0.56 0.17 0.00 0.00 0.00 0.00 51.96 52.92 3k5k s ALA 1054Cb 0.02 -3.25 0.72 0.00 0.00 0.00 0.00 23.12 20.60 3k5k s ALA 1054CO 0.07 -0.01 1.62 1.28 0.00 0.00 0.00 175.76 178.72 3k5k n LEU 1055N 2.72 4.78 -3.70 0.00 4.77 -0.24 0.20 117.00 125.52 3k5k n LEU 1055Ca 0.02 -2.41 -0.10 0.00 -0.03 0.00 0.00 56.01 53.49 3k5k n LEU 1055Cb 0.49 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 3k5k n LEU 1055CO 0.51 0.76 0.33 0.00 -1.33 0.00 0.00 177.39 177.65 3k5k s GLN 1056N -1.98 1.43 0.40 3.23 -2.07 -1.26 -4.86 119.66 114.56 3k5k s GLN 1056Ca 0.50 -0.82 -0.25 0.00 -1.82 0.00 0.00 55.36 52.97 3k5k s GLN 1056Cb 0.33 0.55 -0.08 0.00 -1.09 0.00 0.00 33.01 32.72 3k5k s GLN 1056CO 0.23 -0.62 1.18 0.95 -1.32 0.00 0.00 175.29 175.71 3k5k s THR 1057N -3.86 3.10 -0.21 3.63 -4.23 -1.26 -3.74 115.64 109.06 3k5k s THR 1057Ca 0.08 0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 61.50 3k5k s THR 1057Cb -0.02 -3.52 0.06 0.00 1.34 0.00 0.00 72.50 70.37 3k5k s THR 1057CO -0.03 0.08 0.01 -0.63 -0.54 0.00 0.00 174.62 173.51 3k5k s ILE 1058N -1.40 0.85 0.67 2.99 1.01 0.78 -4.96 121.20 121.14 3k5k s ILE 1058Ca 0.57 -0.76 -0.16 0.00 0.00 0.00 0.00 60.65 60.30 3k5k s ILE 1058Cb -0.31 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 40.89 3k5k s ILE 1058CO 0.39 -0.17 1.18 -2.84 0.00 0.00 0.00 174.94 173.51 3k5k s PRO 1059N 1.71 2.56 0.12 2.79 0.02 -1.26 0.38 135.00 141.31 3k5k s PRO 1059Ca -0.02 1.68 -0.34 0.00 0.02 0.00 0.00 61.00 62.33 3k5k s PRO 1059Cb -0.18 -1.89 -0.17 0.00 0.02 0.00 0.00 34.50 32.28 3k5k s PRO 1059CO -0.07 -1.49 1.03 0.94 -0.33 0.00 0.00 177.00 177.08 3k5k n GLN 1060N -2.31 0.59 -0.40 5.54 7.27 -1.22 -2.95 117.38 123.90 3k5k n GLN 1060Ca 0.13 0.21 0.00 0.00 0.07 0.00 0.00 57.00 57.41 3k5k n GLN 1060Cb 0.51 -1.63 0.00 0.00 2.41 0.00 0.00 30.24 31.52 3k5k n GLN 1060CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3k5k n GLY 1061N 1.89 0.79 3.79 1.69 0.00 -0.12 -4.72 105.19 108.51 3k5k n GLY 1061Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3k5k n GLY 1061CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k5k s THR 1062N -2.08 4.73 0.21 2.61 2.01 -1.15 -0.47 115.64 121.50 3k5k s THR 1062Ca 0.00 1.30 -0.30 0.00 0.31 0.00 0.00 61.69 63.00 3k5k s THR 1062Cb 0.00 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.48 3k5k s THR 1062CO 0.00 0.51 1.31 0.12 -0.69 0.00 0.00 174.62 175.87 3k5k s PHE 1063N -0.86 3.24 -0.05 4.92 5.36 -1.26 -1.36 117.98 127.98 3k5k s PHE 1063Ca 0.31 1.24 -0.06 0.00 -0.96 0.00 0.00 56.93 57.45 3k5k s PHE 1063Cb -0.20 -3.61 -0.02 0.00 -0.34 0.00 0.00 43.02 38.86 3k5k s PHE 1063CO 0.20 -1.87 -0.12 -0.89 -1.46 0.00 0.00 175.22 171.08 3k5k n ILE 1064N 2.47 0.74 -3.71 3.12 2.08 0.30 -4.66 119.36 119.69 3k5k n ILE 1064Ca 0.06 0.28 -0.04 0.00 0.56 0.00 0.00 62.75 63.60 3k5k n ILE 1064Cb 0.43 -1.73 -0.01 0.00 -0.75 0.00 0.00 39.64 37.57 3k5k n ILE 1064CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3k5k s GLU 1066N -3.27 3.45 -0.62 0.00 2.12 -1.26 -0.91 118.70 118.21 3k5k s GLU 1066Ca 0.11 -0.38 -0.24 0.00 0.36 0.00 0.00 54.97 54.82 3k5k s GLU 1066Cb -0.01 -3.05 0.05 0.00 0.26 0.00 0.00 34.13 31.38 3k5k s GLU 1066CO 0.00 0.62 1.01 -0.47 -0.54 0.00 0.00 175.26 175.88 3k5k s TYR 1067N -1.46 2.66 -0.07 5.30 5.04 0.59 -4.46 117.35 124.95 3k5k s TYR 1067Ca 0.33 -0.23 0.01 0.00 -2.44 0.00 0.00 57.07 54.74 3k5k s TYR 1067Cb -0.13 -4.26 -0.03 0.00 0.35 0.00 0.00 41.96 37.90 3k5k s TYR 1067CO 0.25 -1.59 -0.08 0.08 -1.34 0.00 0.00 175.55 172.87 3k5k s VAL 1068N 4.28 3.59 0.00 3.14 1.01 -1.26 -4.49 120.40 126.67 3k5k s VAL 1068Ca 0.28 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3k5k s VAL 1068Cb -0.14 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.78 3k5k s VAL 1068CO 0.15 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.45 3k5k n GLY 1069N 2.37 1.20 3.67 4.51 0.00 -1.26 -3.28 105.19 112.40 3k5k n GLY 1069Ca -0.18 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 3k5k n GLY 1069CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k5k s GLU 1070N 1.73 4.29 -0.12 1.61 2.12 -0.12 -1.64 118.70 126.58 3k5k s GLU 1070Ca 0.00 1.18 -0.30 0.00 0.36 0.00 0.00 54.97 56.21 3k5k s GLU 1070Cb 0.00 -3.60 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 3k5k s GLU 1070CO 0.00 -0.44 1.09 -0.51 -0.54 0.00 0.00 175.26 174.86 3k5k s LEU 1071N 2.52 4.23 0.05 2.70 1.43 -0.28 -0.16 118.68 129.17 3k5k s LEU 1071Ca 0.41 1.60 -0.00 0.00 -1.03 0.00 0.00 54.13 55.11 3k5k s LEU 1071Cb -0.16 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 3k5k s LEU 1071CO 0.11 -0.55 -0.04 0.27 0.23 0.00 0.00 176.35 176.37 3k5k s ILE 1072N 2.38 0.32 0.77 -0.59 -4.36 -0.36 -4.40 121.20 114.96 3k5k s ILE 1072Ca 0.50 -1.64 -0.11 0.00 -0.26 0.00 0.00 60.65 59.14 3k5k s ILE 1072Cb -0.20 -1.29 0.06 0.00 1.25 0.00 0.00 42.46 42.28 3k5k s ILE 1072CO 0.17 -0.85 1.09 -0.94 0.24 0.00 0.00 174.94 174.64 3k5k s SER 1073N -2.62 4.69 0.21 4.36 1.04 -1.26 -1.45 113.70 118.67 3k5k s SER 1073Ca 0.03 1.38 -0.09 0.00 0.48 0.00 0.00 55.95 57.74 3k5k s SER 1073Cb 0.03 -2.14 0.26 0.00 0.10 0.00 0.00 66.02 64.27 3k5k s SER 1073CO -0.07 -1.85 1.77 -0.78 0.98 0.00 0.00 173.24 173.29 3k5k h ASP 1074N -1.01 0.36 -0.70 7.02 3.58 -1.87 0.18 116.42 123.98 3k5k h ASP 1074Ca -0.46 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.06 3k5k h ASP 1074Cb 1.26 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.27 3k5k h ASP 1074CO 0.59 0.22 0.46 0.00 -2.88 0.00 0.00 179.24 177.62 3k5k h ALA 1075N 1.38 0.90 -0.25 -0.78 0.00 -1.92 0.81 119.26 119.39 3k5k h ALA 1075Ca 0.30 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3k5k h ALA 1075Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3k5k h ALA 1075CO -0.25 0.29 -0.00 1.49 0.00 0.00 0.00 179.25 180.77 3k5k h GLU 1076N 0.93 0.44 -0.92 0.00 4.57 -1.85 -2.69 114.58 115.06 3k5k h GLU 1076Ca 0.26 -0.14 0.14 0.00 -1.18 0.00 0.00 59.36 58.44 3k5k h GLU 1076Cb -0.08 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.40 3k5k h GLU 1076CO -0.07 0.61 0.59 0.00 -1.18 0.00 0.00 179.01 178.96 3k5k h ALA 1077N 0.81 1.75 0.00 2.92 0.00 -0.59 -1.55 119.26 122.59 3k5k h ALA 1077Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k5k h ALA 1077Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3k5k h ALA 1077CO 0.01 0.01 0.00 -3.47 0.00 0.00 0.00 179.25 175.80 3k5k n ASP 1078N -4.58 0.26 -0.08 0.00 2.03 0.24 -2.44 116.55 111.98 3k5k n ASP 1078Ca 0.18 0.57 0.01 0.00 0.52 0.00 0.00 54.79 56.07 3k5k n ASP 1078Cb 0.44 -0.62 0.02 0.00 -0.72 0.00 0.00 41.12 40.23 3k5k n ASP 1078CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3k5k n VAL 1079N -1.80 0.72 -2.22 5.18 0.24 -0.61 -5.02 118.33 114.82 3k5k n VAL 1079Ca 0.02 -0.86 -0.42 0.00 -2.04 0.00 0.00 64.34 61.04 3k5k n VAL 1079Cb 0.16 0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 33.15 3k5k n VAL 1079CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3k5k s ARG 1080N -0.76 4.33 -0.02 7.34 1.81 -1.02 -4.95 118.95 125.68 3k5k s ARG 1080Ca 0.03 2.00 -0.26 0.00 -1.72 0.00 0.00 55.73 55.78 3k5k s ARG 1080Cb 0.02 -3.34 -0.20 0.00 -0.45 0.00 0.00 34.95 30.97 3k5k s ARG 1080CO 0.02 -0.44 1.28 1.05 -0.68 0.00 0.00 175.30 176.53 3k5k h GLU 1081N 7.06 0.01 -5.19 3.54 4.11 -1.94 -3.40 114.58 118.77 3k5k h GLU 1081Ca -0.41 -0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.35 3k5k h GLU 1081Cb 1.20 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.29 3k5k h GLU 1081CO 0.86 0.48 0.11 0.34 0.07 0.00 0.00 179.01 180.87 3k5k s ASP 1082N -5.69 6.27 -0.39 3.06 -1.08 -1.26 -4.91 116.67 112.66 3k5k s ASP 1082Ca -0.16 -0.65 0.06 0.00 -0.52 0.00 0.00 52.55 51.28 3k5k s ASP 1082Cb 0.02 -2.31 0.57 0.00 -1.46 0.00 0.00 42.92 39.74 3k5k s ASP 1082CO 0.68 -0.86 1.69 -0.90 0.52 0.00 0.00 175.17 176.30 3k5k n ASP 1083N 6.29 3.52 0.00 -0.34 5.75 -1.26 -4.60 116.55 125.91 3k5k n ASP 1083Ca -0.04 -3.72 0.13 0.00 -0.01 0.00 0.00 54.79 51.15 3k5k n ASP 1083Cb 0.47 -0.74 0.38 0.00 -1.03 0.00 0.00 41.12 40.20 3k5k n ASP 1083CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3k5k n SER 1084N -1.10 0.33 -1.11 -1.12 7.64 -1.26 -4.19 113.62 112.81 3k5k n SER 1084Ca 0.48 0.04 0.04 0.00 1.01 0.00 0.00 58.87 60.43 3k5k n SER 1084Cb 1.28 -0.03 0.12 0.00 -1.01 0.00 0.00 64.21 64.56 3k5k n SER 1084CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3k5k n TYR 1085N -1.53 0.14 -3.55 1.43 4.01 -1.26 -5.06 117.16 111.34 3k5k n TYR 1085Ca 0.06 -1.12 -0.37 0.00 -0.16 0.00 0.00 57.90 56.31 3k5k n TYR 1085Cb 0.34 -0.21 -0.06 0.00 -0.31 0.00 0.00 39.34 39.10 3k5k n TYR 1085CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3k5k s LEU 1086N -1.89 4.43 -0.15 7.72 1.43 -1.26 -0.70 118.68 128.26 3k5k s LEU 1086Ca 0.36 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.34 3k5k s LEU 1086Cb 0.38 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.94 3k5k s LEU 1086CO -0.11 0.28 -0.13 0.12 0.23 0.00 0.00 176.35 176.75 3k5k s PHE 1087N -1.18 2.09 0.05 0.29 5.36 0.12 -4.97 117.98 119.74 3k5k s PHE 1087Ca 0.26 -1.18 -0.30 0.00 -0.96 0.00 0.00 56.93 54.75 3k5k s PHE 1087Cb -0.15 -1.55 -0.04 0.00 -0.34 0.00 0.00 43.02 40.93 3k5k s PHE 1087CO 0.14 -0.66 1.02 -0.51 -1.46 0.00 0.00 175.22 173.76 3k5k s ASP 1088N 1.51 7.35 -0.78 6.13 1.01 -1.26 -0.58 116.67 130.05 3k5k s ASP 1088Ca 0.04 1.79 -0.04 0.00 0.71 0.00 0.00 52.55 55.05 3k5k s ASP 1088Cb -0.13 -2.58 0.20 0.00 1.01 0.00 0.00 42.92 41.42 3k5k s ASP 1088CO -0.10 -0.24 0.64 -0.76 0.21 0.00 0.00 175.17 174.92 3k5k s LEU 1089N 0.65 5.59 0.51 1.23 1.43 0.13 -4.96 118.68 123.27 3k5k s LEU 1089Ca 0.52 -3.22 -0.05 0.00 -1.03 0.00 0.00 54.13 50.35 3k5k s LEU 1089Cb -0.24 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 3k5k s LEU 1089CO 0.29 -0.32 0.81 1.51 0.23 0.00 0.00 176.35 178.88 3k5k s ASP 1090N 0.55 5.98 0.00 2.29 -4.77 -1.26 -2.15 116.67 117.31 3k5k s ASP 1090Ca 0.22 0.77 0.00 0.00 -3.30 0.00 0.00 52.55 50.24 3k5k s ASP 1090Cb -0.13 -1.97 0.00 0.00 -1.09 0.00 0.00 42.92 39.72 3k5k s ASP 1090CO -0.08 -0.76 0.00 0.59 0.70 0.00 0.00 175.17 175.62 3k5k n ASN 1091N -2.35 0.00 -0.04 2.11 5.03 -1.26 -5.00 115.26 113.75 3k5k n ASN 1091Ca 0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.47 3k5k n ASN 1091Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.32 3k5k n ASN 1091CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 3k5k n GLU 1095N -1.49 0.00 -4.14 3.52 0.28 -1.26 -5.19 120.64 112.37 3k5k n GLU 1095Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 3k5k n GLU 1095Cb 0.00 -0.03 -0.14 0.00 1.43 0.00 0.00 31.44 32.70 3k5k n GLU 1095CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3k5k s VAL 1096N -0.24 0.43 0.25 3.84 1.01 -1.26 -5.10 120.40 119.33 3k5k s VAL 1096Ca 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.65 3k5k s VAL 1096Cb 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 3k5k s VAL 1096CO 0.00 0.02 -0.03 -0.31 0.00 0.00 0.00 175.10 174.78 3k5k s TYR 1097N -0.36 1.74 0.06 5.22 2.02 -0.91 -2.91 117.35 122.20 3k5k s TYR 1097Ca -0.00 -0.82 0.03 0.00 -0.37 0.00 0.00 57.07 55.91 3k5k s TYR 1097Cb -0.03 -1.00 -0.03 0.00 -0.40 0.00 0.00 41.96 40.50 3k5k s TYR 1097CO -0.00 0.11 -0.10 0.00 -1.57 0.00 0.00 175.55 173.98 3k5k s ILE 1099N -1.48 5.16 -0.32 0.00 1.01 0.26 -1.23 121.20 124.60 3k5k s ILE 1099Ca -0.05 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 3k5k s ILE 1099Cb -0.09 -3.42 0.03 0.00 0.01 0.00 0.00 42.46 38.99 3k5k s ILE 1099CO 0.01 0.32 0.09 -0.62 0.00 0.00 0.00 174.94 174.74 3k5k s ASP 1100N 1.32 5.19 -0.08 3.58 -1.08 0.78 0.11 116.67 126.49 3k5k s ASP 1100Ca 0.07 -0.96 0.15 0.00 -0.52 0.00 0.00 52.55 51.29 3k5k s ASP 1100Cb -0.14 -1.86 0.59 0.00 -1.46 0.00 0.00 42.92 40.04 3k5k s ASP 1100CO 0.06 -0.26 1.47 0.00 0.52 0.00 0.00 175.17 176.96 3k5k n ALA 1101N 4.83 2.93 0.06 3.66 0.00 0.12 -0.95 120.51 131.17 3k5k n ALA 1101Ca -0.13 -1.26 -0.13 0.00 0.00 0.00 0.00 53.44 51.92 3k5k n ALA 1101Cb 0.46 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 3k5k n ALA 1101CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3k5k h ARG 1102N 3.38 -0.14 0.02 0.00 9.65 -1.93 -3.36 114.38 122.00 3k5k h ARG 1102Ca 0.00 0.01 -0.36 0.00 -1.10 0.00 0.00 59.98 58.53 3k5k h ARG 1102Cb 1.19 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.74 3k5k h ARG 1102CO 0.17 0.14 -2.18 0.66 2.80 0.00 0.00 179.97 181.57 3k5k n TYR 1103N -5.03 0.47 -4.29 2.20 4.01 -1.26 -4.69 117.16 108.57 3k5k n TYR 1103Ca -0.08 0.14 -0.26 0.00 -0.16 0.00 0.00 57.90 57.53 3k5k n TYR 1103Cb 0.19 -1.08 -0.17 0.00 -0.31 0.00 0.00 39.34 37.98 3k5k n TYR 1103CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3k5k s TYR 1104N -2.54 1.51 0.24 -0.72 2.02 -1.26 -0.28 117.35 116.33 3k5k s TYR 1104Ca -0.17 -0.66 -0.21 0.00 -0.37 0.00 0.00 57.07 55.66 3k5k s TYR 1104Cb 0.07 -1.16 0.05 0.00 -0.40 0.00 0.00 41.96 40.52 3k5k s TYR 1104CO 0.76 -0.39 0.88 0.20 -1.57 0.00 0.00 175.55 175.43 3k5k s GLY 1105N 1.11 -0.00 0.00 0.71 0.00 -0.76 -3.61 107.32 104.76 3k5k s GLY 1105Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.40 3k5k s GLY 1105CO -0.02 0.40 0.00 1.16 0.00 0.00 0.00 173.10 174.64 3k5k n ASN 1106N -0.82 1.31 0.11 1.64 6.94 -1.21 -0.71 115.26 122.52 3k5k n ASN 1106Ca -0.05 -0.23 0.15 0.00 -0.02 0.00 0.00 54.58 54.43 3k5k n ASN 1106Cb 0.60 0.00 0.68 0.00 -2.36 0.00 0.00 39.78 38.70 3k5k n ASN 1106CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3k5k h ILE 1107N 0.15 0.82 -0.15 1.53 6.09 -1.88 -2.37 117.51 121.69 3k5k h ILE 1107Ca 0.00 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.53 3k5k h ILE 1107Cb 0.00 0.84 -0.01 0.00 0.47 0.00 0.00 36.82 38.13 3k5k h ILE 1107CO 0.00 0.00 0.17 0.28 -3.07 0.00 0.00 178.15 175.53 3k5k h SER 1108N 0.00 0.00 0.66 2.19 0.02 -1.93 -1.91 113.55 112.58 3k5k h SER 1108Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3k5k h SER 1108Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3k5k h SER 1108CO -0.00 0.00 0.00 0.08 -1.14 0.00 0.00 176.83 175.77 3k5k h ARG 1109N 0.00 0.00 -0.20 3.45 0.11 -1.75 -2.01 114.38 113.99 3k5k h ARG 1109Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 3k5k h ARG 1109Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 3k5k h ARG 1109CO -0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.26 3k5k n PHE 1110N -2.68 0.23 -2.65 4.08 3.72 -0.72 -4.93 117.46 114.52 3k5k n PHE 1110Ca 0.00 -0.12 -0.43 0.00 -0.05 0.00 0.00 57.45 56.86 3k5k n PHE 1110Cb 0.22 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.73 3k5k n PHE 1110CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3k5k s ILE 1111N -1.77 4.69 0.66 4.37 1.01 -0.76 -3.63 121.20 125.78 3k5k s ILE 1111Ca 0.34 1.98 -0.11 0.00 0.00 0.00 0.00 60.65 62.85 3k5k s ILE 1111Cb 0.21 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 3k5k s ILE 1111CO 0.31 -0.03 1.06 0.20 0.00 0.00 0.00 174.94 176.48 3k5k s ASN 1112N 1.18 5.78 0.21 3.58 0.01 -1.26 -4.91 114.94 119.53 3k5k s ASN 1112Ca 0.49 1.22 -0.30 0.00 -0.71 0.00 0.00 52.86 53.56 3k5k s ASN 1112Cb -0.19 -2.14 -0.08 0.00 0.41 0.00 0.00 41.25 39.25 3k5k s ASN 1112CO 0.17 -1.13 1.13 -2.28 -1.51 0.00 0.00 177.10 173.48 3k5k s HIS 1113N -3.26 3.54 -0.03 2.20 5.65 -1.26 -2.89 115.29 119.24 3k5k s HIS 1113Ca 0.57 1.58 0.03 0.00 0.25 0.00 0.00 55.06 57.49 3k5k s HIS 1113Cb -0.11 -3.33 -0.00 0.00 -1.18 0.00 0.00 32.58 27.96 3k5k s HIS 1113CO 0.52 -0.77 -0.13 -0.51 -0.65 0.00 0.00 174.74 173.21 3k5k s LEU 1114N -0.70 1.88 0.46 8.88 1.43 -0.90 -4.77 118.68 124.97 3k5k s LEU 1114Ca 0.49 -0.25 0.26 0.00 -1.03 0.00 0.00 54.13 53.59 3k5k s LEU 1114Cb -0.31 -0.72 0.74 0.00 0.03 0.00 0.00 46.19 45.93 3k5k s LEU 1114CO 0.38 0.12 1.75 0.00 0.23 0.00 0.00 176.35 178.82 3k5k s ASP 1116N -6.06 5.10 0.72 0.00 2.15 -1.26 -4.91 116.67 112.40 3k5k s ASP 1116Ca 0.04 -3.73 -0.13 0.00 0.43 0.00 0.00 52.55 49.17 3k5k s ASP 1116Cb 0.07 -1.71 0.03 0.00 -0.30 0.00 0.00 42.92 41.01 3k5k s ASP 1116CO 0.63 -0.13 1.10 -2.16 -0.17 0.00 0.00 175.17 174.44 3k5k s PRO 1117N -1.30 2.55 0.00 4.34 0.04 -1.23 -4.99 135.00 134.41 3k5k s PRO 1117Ca 0.25 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.54 3k5k s PRO 1117Cb -0.07 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3k5k s PRO 1117CO -0.14 -1.43 0.61 0.27 0.04 0.00 0.00 177.00 176.35 3k5k n ASN 1118N -2.98 1.16 -4.24 6.66 0.23 -0.62 -4.95 115.26 110.52 3k5k n ASN 1118Ca 0.10 -1.31 -0.16 0.00 -0.53 0.00 0.00 54.58 52.68 3k5k n ASN 1118Cb 0.53 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.12 3k5k n ASN 1118CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3k5k s ILE 1119N -0.31 1.23 0.03 1.53 -4.36 -0.97 -1.20 121.20 117.15 3k5k s ILE 1119Ca 0.00 -1.91 0.04 0.00 -0.26 0.00 0.00 60.65 58.53 3k5k s ILE 1119Cb 0.00 -1.69 -0.02 0.00 1.25 0.00 0.00 42.46 42.00 3k5k s ILE 1119CO 0.00 -0.60 -0.12 0.27 0.24 0.00 0.00 174.94 174.72 3k5k s ILE 1120N -2.80 0.96 0.18 8.37 -4.36 0.03 -4.47 121.20 119.12 3k5k s ILE 1120Ca 0.13 -0.84 -0.27 0.00 -0.26 0.00 0.00 60.65 59.41 3k5k s ILE 1120Cb -0.01 -0.87 -0.08 0.00 1.25 0.00 0.00 42.46 42.75 3k5k s ILE 1120CO 0.02 0.03 0.85 -2.16 0.24 0.00 0.00 174.94 173.92 3k5k s PRO 1121N -0.92 4.68 -0.04 0.37 0.04 -1.26 -1.29 135.00 136.58 3k5k s PRO 1121Ca 0.01 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.37 3k5k s PRO 1121Cb -0.07 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.20 3k5k s PRO 1121CO 0.01 0.51 -0.11 0.08 0.04 0.00 0.00 177.00 177.54 3k5k s VAL 1122N -1.03 0.94 0.04 -0.36 1.01 0.11 -4.89 120.40 116.23 3k5k s VAL 1122Ca 0.39 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 3k5k s VAL 1122Cb -0.24 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3k5k s VAL 1122CO 0.28 0.30 1.07 -0.13 0.00 0.00 0.00 175.10 176.63 3k5k s ARG 1123N 0.38 4.52 -0.01 2.72 0.52 -1.26 -0.77 118.95 125.06 3k5k s ARG 1123Ca -0.07 1.58 0.01 0.00 -0.52 0.00 0.00 55.73 56.72 3k5k s ARG 1123Cb -0.12 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 31.96 3k5k s ARG 1123CO 0.02 -0.11 -0.02 0.08 0.02 0.00 0.00 175.30 175.29 3k5k s VAL 1124N 0.89 0.18 -0.09 3.52 1.01 0.31 -1.35 120.40 124.87 3k5k s VAL 1124Ca 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3k5k s VAL 1124Cb -0.25 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 3k5k s VAL 1124CO 0.29 0.07 -0.09 -0.36 0.00 0.00 0.00 175.10 175.01 3k5k s PHE 1125N 0.15 2.87 0.00 5.22 0.08 0.27 -0.90 117.98 125.68 3k5k s PHE 1125Ca -0.01 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 56.82 3k5k s PHE 1125Cb -0.03 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 3k5k s PHE 1125CO -0.00 0.11 0.00 -1.33 -0.10 0.00 0.00 175.22 173.90 3k5k n MET 1126N 2.76 0.00 0.00 0.44 2.81 -1.26 -0.78 117.12 121.09 3k5k n MET 1126Ca -0.18 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 55.86 3k5k n MET 1126Cb 0.53 0.00 0.66 0.00 -0.71 0.00 0.00 33.22 33.69 3k5k n MET 1126CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3k5k n LEU 1127N 0.00 0.17 -3.92 4.03 4.77 -1.26 -4.64 117.00 116.15 3k5k n LEU 1127Ca 0.00 0.23 -0.09 0.00 -0.03 0.00 0.00 56.01 56.12 3k5k n LEU 1127Cb 0.00 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.72 3k5k n LEU 1127CO 0.00 0.03 -0.09 -1.38 -1.33 0.00 0.00 177.39 174.62 3k5k s HIS 1128N -2.65 0.30 -0.29 -1.77 -3.43 -1.26 -4.93 115.29 101.25 3k5k s HIS 1128Ca 0.25 -0.71 0.13 0.00 -0.80 0.00 0.00 55.06 53.93 3k5k s HIS 1128Cb 0.20 -0.10 0.48 0.00 -1.43 0.00 0.00 32.58 31.72 3k5k s HIS 1128CO 0.49 -0.59 1.15 1.04 -2.00 0.00 0.00 174.74 174.83 3k5k n GLN 1129N -0.11 2.82 -2.21 -0.38 6.02 -1.26 -4.80 117.38 117.45 3k5k n GLN 1129Ca -0.12 -3.91 -0.42 0.00 -0.01 0.00 0.00 57.00 52.55 3k5k n GLN 1129Cb 0.63 -1.99 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 3k5k n GLN 1129CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3k5k s ASP 1130N -3.66 5.93 0.10 1.08 -1.08 -1.26 -4.89 116.67 112.90 3k5k s ASP 1130Ca 0.41 0.66 0.14 0.00 -0.52 0.00 0.00 52.55 53.24 3k5k s ASP 1130Cb 0.38 -2.54 0.63 0.00 -1.46 0.00 0.00 42.92 39.93 3k5k s ASP 1130CO -0.00 -1.79 1.43 0.18 0.52 0.00 0.00 175.17 175.51 3k5k n LEU 1131N 10.26 0.23 0.21 -1.34 4.77 -1.26 -0.95 117.00 128.92 3k5k n LEU 1131Ca 0.18 0.57 0.05 0.00 -0.03 0.00 0.00 56.01 56.78 3k5k n LEU 1131Cb 0.49 -0.56 0.45 0.00 -2.33 0.00 0.00 43.42 41.47 3k5k n LEU 1131CO 0.70 -0.47 0.81 0.03 -1.33 0.00 0.00 177.39 177.13 3k5k h ARG 1132N 0.00 0.00 -2.20 3.23 3.08 -1.98 -3.38 114.38 113.14 3k5k h ARG 1132Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3k5k h ARG 1132Cb 0.18 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.82 3k5k h ARG 1132CO 0.00 0.28 -0.79 1.19 -1.07 0.00 0.00 179.97 179.58 3k5k n PHE 1133N -4.05 2.90 -1.55 3.04 3.72 -0.12 -4.70 117.46 116.71 3k5k n PHE 1133Ca -0.02 -3.95 -0.34 0.00 -0.05 0.00 0.00 57.45 53.08 3k5k n PHE 1133Cb 0.34 -0.47 0.08 0.00 -0.94 0.00 0.00 39.48 38.49 3k5k n PHE 1133CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3k5k s PRO 1134N -3.04 2.32 -0.06 -1.08 0.04 -1.26 -4.87 135.00 127.05 3k5k s PRO 1134Ca 0.45 1.75 -0.07 0.00 0.04 0.00 0.00 61.00 63.17 3k5k s PRO 1134Cb 0.28 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.92 3k5k s PRO 1134CO -0.11 -1.70 0.21 1.03 0.04 0.00 0.00 177.00 176.47 3k5k s ARG 1135N -3.83 3.54 -0.42 4.56 0.52 -0.08 -4.85 118.95 118.40 3k5k s ARG 1135Ca 0.75 -0.07 -0.17 0.00 -0.52 0.00 0.00 55.73 55.71 3k5k s ARG 1135Cb -0.29 -3.15 0.02 0.00 0.52 0.00 0.00 34.95 32.05 3k5k s ARG 1135CO 0.43 0.72 0.45 0.42 0.02 0.00 0.00 175.30 177.34 3k5k s ILE 1136N -1.14 5.07 -0.19 1.52 -1.09 -1.26 -0.53 121.20 123.59 3k5k s ILE 1136Ca 0.21 -0.34 -0.06 0.00 -2.23 0.00 0.00 60.65 58.23 3k5k s ILE 1136Cb -0.13 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.67 3k5k s ILE 1136CO 0.10 -0.44 0.02 0.00 -1.23 0.00 0.00 174.94 173.39 3k5k s ALA 1137N 2.17 3.16 -0.10 9.38 0.00 0.05 -0.30 121.76 136.11 3k5k s ALA 1137Ca 0.12 -0.87 -0.18 0.00 0.00 0.00 0.00 51.96 51.03 3k5k s ALA 1137Cb -0.17 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 3k5k s ALA 1137CO 0.14 0.04 0.48 -0.06 0.00 0.00 0.00 175.76 176.36 3k5k s PHE 1138N 0.65 3.54 0.08 0.00 0.08 -0.08 0.10 117.98 122.35 3k5k s PHE 1138Ca 0.01 0.92 0.10 0.00 0.12 0.00 0.00 56.93 58.07 3k5k s PHE 1138Cb -0.14 -2.54 -0.03 0.00 -0.57 0.00 0.00 43.02 39.74 3k5k s PHE 1138CO 0.02 0.21 -0.26 -0.06 -0.10 0.00 0.00 175.22 175.04 3k5k s PHE 1139N 0.45 2.22 0.30 0.36 0.08 -0.41 -0.54 117.98 120.44 3k5k s PHE 1139Ca 0.26 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.62 3k5k s PHE 1139Cb -0.15 -1.28 -0.10 0.00 -0.57 0.00 0.00 43.02 40.92 3k5k s PHE 1139CO 0.11 0.21 1.35 -1.54 -0.10 0.00 0.00 175.22 175.25 3k5k s SER 1140N -1.58 6.72 0.00 1.36 1.04 -0.46 -0.79 113.70 119.99 3k5k s SER 1140Ca 0.12 2.69 0.22 0.00 0.48 0.00 0.00 55.95 59.46 3k5k s SER 1140Cb -0.10 -2.64 -0.02 0.00 0.10 0.00 0.00 66.02 63.36 3k5k s SER 1140CO 0.04 -0.60 1.05 -1.54 0.98 0.00 0.00 173.24 173.17 3k5k n SER 1141N 1.31 1.20 -3.75 7.02 3.41 -0.34 -0.95 113.62 121.52 3k5k n SER 1141Ca 0.02 -1.03 -0.10 0.00 -0.26 0.00 0.00 58.87 57.51 3k5k n SER 1141Cb 0.41 0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 65.05 3k5k n SER 1141CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k5k s ARG 1142N -2.84 1.71 0.33 4.33 1.70 -1.26 -4.85 118.95 118.07 3k5k s ARG 1142Ca 0.12 -1.31 -0.29 0.00 -0.47 0.00 0.00 55.73 53.78 3k5k s ARG 1142Cb 0.17 0.50 -0.11 0.00 -0.57 0.00 0.00 34.95 34.94 3k5k s ARG 1142CO 0.75 -0.74 1.51 -0.51 -1.08 0.00 0.00 175.30 175.24 3k5k s ASP 1143N -3.04 6.41 -0.10 -2.89 -0.00 -1.26 -3.44 116.67 112.35 3k5k s ASP 1143Ca 0.21 2.95 0.02 0.00 -0.00 0.00 0.00 52.55 55.74 3k5k s ASP 1143Cb -0.02 -2.65 -0.01 0.00 -0.00 0.00 0.00 42.92 40.24 3k5k s ASP 1143CO 0.11 -0.85 -0.18 -0.63 -0.00 0.00 0.00 175.17 173.62 3k5k s ILE 1144N -0.56 2.68 0.39 0.77 1.01 0.16 -4.86 121.20 120.80 3k5k s ILE 1144Ca 0.57 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 3k5k s ILE 1144Cb -0.46 -2.07 -0.07 0.00 0.01 0.00 0.00 42.46 39.87 3k5k s ILE 1144CO 0.54 0.55 0.79 -0.13 0.00 0.00 0.00 174.94 176.69 3k5k s ARG 1145N 0.05 3.86 0.39 2.79 0.52 -1.26 -0.15 118.95 125.15 3k5k s ARG 1145Ca -0.07 0.58 -0.26 0.00 -0.52 0.00 0.00 55.73 55.46 3k5k s ARG 1145Cb -0.15 -2.37 -0.11 0.00 0.52 0.00 0.00 34.95 32.84 3k5k s ARG 1145CO 0.05 -0.01 1.28 2.41 0.02 0.00 0.00 175.30 179.05 3k5k n THR 1146N -1.07 2.33 0.00 0.02 -1.04 -1.25 -1.90 114.28 111.37 3k5k n THR 1146Ca 0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 3k5k n THR 1146Cb 0.54 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 3k5k n THR 1146CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3k5k n GLY 1147N 0.79 2.92 3.74 3.41 0.00 0.13 -4.96 105.19 111.22 3k5k n GLY 1147Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3k5k n GLY 1147CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k5k s GLU 1148N -0.08 4.34 0.16 1.61 2.02 -0.80 -4.64 118.70 121.31 3k5k s GLU 1148Ca 0.00 2.15 -0.30 0.00 0.02 0.00 0.00 54.97 56.84 3k5k s GLU 1148Cb 0.00 -3.16 -0.08 0.00 0.10 0.00 0.00 34.13 30.99 3k5k s GLU 1148CO 0.00 -0.32 1.32 -2.00 0.02 0.00 0.00 175.26 174.27 3k5k s GLU 1149N -0.18 4.38 0.24 1.61 2.12 -1.26 -1.99 118.70 123.61 3k5k s GLU 1149Ca 0.58 2.02 -0.24 0.00 0.36 0.00 0.00 54.97 57.69 3k5k s GLU 1149Cb -0.39 -3.23 -0.09 0.00 0.26 0.00 0.00 34.13 30.69 3k5k s GLU 1149CO 0.40 -0.30 0.82 -0.51 -0.54 0.00 0.00 175.26 175.13 3k5k s LEU 1150N 0.35 4.44 -0.09 2.70 1.43 -0.23 -4.88 118.68 122.39 3k5k s LEU 1150Ca 0.59 1.64 -0.31 0.00 -1.03 0.00 0.00 54.13 55.02 3k5k s LEU 1150Cb -0.36 -3.63 0.09 0.00 0.03 0.00 0.00 46.19 42.33 3k5k s LEU 1150CO 0.35 0.06 0.80 -0.83 0.23 0.00 0.00 176.35 176.96 3k5k s GLY 1151N -1.46 -0.46 0.33 -3.19 0.00 -1.26 -4.05 107.32 97.22 3k5k s GLY 1151Ca 0.43 1.59 0.05 0.00 0.00 0.00 0.00 44.72 46.79 3k5k s GLY 1151CO 0.24 0.99 0.01 -0.11 0.00 0.00 0.00 173.10 174.23 3k5k s PHE 1152N -1.16 2.08 -0.44 1.90 -0.12 -1.14 -1.59 117.98 117.51 3k5k s PHE 1152Ca -0.07 -0.82 -0.26 0.00 -0.05 0.00 0.00 56.93 55.73 3k5k s PHE 1152Cb -0.00 -1.34 0.02 0.00 -0.63 0.00 0.00 43.02 41.08 3k5k s PHE 1152CO 0.07 0.18 0.94 0.34 -0.05 0.00 0.00 175.22 176.70 3k5k s ASP 1153N -3.52 6.55 0.47 1.98 -1.08 -1.26 -2.11 116.67 117.71 3k5k s ASP 1153Ca 0.34 0.26 0.18 0.00 -0.52 0.00 0.00 52.55 52.82 3k5k s ASP 1153Cb 0.08 -2.46 1.14 0.00 -1.46 0.00 0.00 42.92 40.21 3k5k s ASP 1153CO 0.15 -1.02 2.02 1.88 0.52 0.00 0.00 175.17 178.72 3k5k h TYR 1154N 8.94 0.00 0.00 -5.34 -1.99 -1.93 -3.49 116.97 113.16 3k5k h TYR 1154Ca -0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.49 3k5k h TYR 1154Cb 1.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.81 3k5k h TYR 1154CO 0.87 0.16 0.00 0.41 -0.00 0.00 0.00 178.16 179.60 3k5k n GLY 1155N -0.95 2.42 0.21 3.88 0.00 -1.26 -4.62 105.19 104.87 3k5k n GLY 1155Ca -0.02 -1.90 -0.00 0.00 0.00 0.00 0.00 46.02 44.10 3k5k n GLY 1155CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k5k h ASP 1156N 0.00 0.20 -0.95 1.61 3.45 -2.00 -2.97 116.42 115.76 3k5k h ASP 1156Ca 0.00 -0.07 0.01 0.00 0.43 0.00 0.00 57.03 57.40 3k5k h ASP 1156Cb 0.00 -0.06 -0.05 0.00 -0.56 0.00 0.00 39.33 38.67 3k5k h ASP 1156CO 0.00 0.53 0.63 -0.09 -1.57 0.00 0.00 179.24 178.75 3k5k h ARG 1157N 0.18 1.24 -0.16 3.56 9.65 -1.99 0.31 114.38 127.17 3k5k h ARG 1157Ca 0.02 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3k5k h ARG 1157Cb 0.68 -0.28 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 3k5k h ARG 1157CO 0.05 0.82 0.09 0.35 2.80 0.00 0.00 179.97 184.08 3k5k h PHE 1158N 1.28 0.22 -0.15 2.20 3.57 -1.78 -2.85 116.94 119.43 3k5k h PHE 1158Ca 0.35 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.69 3k5k h PHE 1158Cb -0.13 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3k5k h PHE 1158CO -0.01 0.23 -0.58 -1.49 -2.23 0.00 0.00 178.31 174.24 3k5k h TRP 1159N 0.15 0.63 -0.71 0.41 4.06 -1.44 0.42 115.95 119.47 3k5k h TRP 1159Ca 0.06 -0.23 0.11 0.00 2.06 0.00 0.00 58.89 60.89 3k5k h TRP 1159Cb 0.09 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.08 3k5k h TRP 1159CO -0.04 0.95 0.47 -0.44 -3.56 0.00 0.00 178.44 175.83 3k5k h ASP 1160N 0.37 0.47 0.12 -3.49 3.32 -0.42 0.27 116.42 117.07 3k5k h ASP 1160Ca 0.00 0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.83 3k5k h ASP 1160Cb 1.12 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.60 3k5k h ASP 1160CO 0.11 0.27 -1.14 0.40 -1.72 0.00 0.00 179.24 177.16 3k5k h ILE 1161N 0.51 1.24 0.00 0.35 2.04 -1.22 -3.41 117.51 117.03 3k5k h ILE 1161Ca 0.33 -2.45 -0.02 0.00 1.00 0.00 0.00 64.86 63.73 3k5k h ILE 1161Cb 0.61 2.92 -0.00 0.00 -0.74 0.00 0.00 36.82 39.60 3k5k h ILE 1161CO -0.11 0.70 -1.06 0.29 0.00 0.00 0.00 178.15 177.96 3k5k n LYS 1162N -4.03 0.61 -0.32 2.37 4.76 0.10 -4.30 118.16 117.34 3k5k n LYS 1162Ca -0.20 0.13 0.19 0.00 -2.87 0.00 0.00 58.31 55.56 3k5k n LYS 1162Cb 0.86 -1.82 0.45 0.00 -1.84 0.00 0.00 35.03 32.67 3k5k n LYS 1162CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 3k5k h SER 1163N 0.00 0.56 0.14 4.39 0.02 -1.04 0.13 113.55 117.76 3k5k h SER 1163Ca -0.02 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3k5k h SER 1163Cb 1.06 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 3k5k h SER 1163CO 0.00 0.14 -0.03 0.11 -1.14 0.00 0.00 176.83 175.91 3k5k h LYS 1164N 0.51 0.00 0.00 3.45 6.56 -1.83 -3.09 116.57 122.17 3k5k h LYS 1164Ca 0.59 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.85 3k5k h LYS 1164Cb 1.28 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.88 3k5k h LYS 1164CO -0.33 0.03 -2.24 0.66 -2.06 0.00 0.00 179.45 175.51 3k5k n TYR 1165N -3.56 0.00 -3.62 -1.35 4.01 0.41 -5.06 117.16 107.98 3k5k n TYR 1165Ca -0.03 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.66 3k5k n TYR 1165Cb 0.13 -0.88 -0.02 0.00 -0.31 0.00 0.00 39.34 38.26 3k5k n TYR 1165CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 3k5k s PHE 1166N -2.44 -0.24 0.34 -0.72 -0.12 -0.82 -5.17 117.98 108.81 3k5k s PHE 1166Ca -0.12 0.03 0.04 0.00 -0.05 0.00 0.00 56.93 56.83 3k5k s PHE 1166Cb 0.06 0.58 -0.07 0.00 -0.63 0.00 0.00 43.02 42.96 3k5k s PHE 1166CO 0.71 -0.67 0.05 0.95 -0.05 0.00 0.00 175.22 176.21 3k5k s THR 1167N -3.18 1.32 0.01 -4.49 -4.23 -1.26 -3.77 115.64 100.04 3k5k s THR 1167Ca 0.09 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.29 3k5k s THR 1167Cb -0.01 -2.83 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 3k5k s THR 1167CO -0.04 -0.00 1.28 0.00 -0.54 0.00 0.00 174.62 175.32 3k5k n GLN 1169N 4.75 3.59 -0.12 0.00 1.13 -1.26 -4.15 117.38 121.32 3k5k n GLN 1169Ca 0.11 -2.99 -0.01 0.00 -1.94 0.00 0.00 57.00 52.17 3k5k n GLN 1169Cb 0.45 -2.01 0.24 0.00 0.11 0.00 0.00 30.24 29.03 3k5k n GLN 1169CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3k5k n GLY 1171N -1.04 0.51 3.77 0.00 0.00 -1.26 -5.00 105.19 102.17 3k5k n GLY 1171Ca 0.04 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 3k5k n GLY 1171CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k5k s SER 1172N -2.34 6.04 0.56 1.61 0.15 -1.26 -4.92 113.70 113.53 3k5k s SER 1172Ca 0.00 2.25 0.30 0.00 0.70 0.00 0.00 55.95 59.20 3k5k s SER 1172Cb 0.00 -2.59 1.67 0.00 -1.71 0.00 0.00 66.02 63.38 3k5k s SER 1172CO 0.00 -1.01 2.16 1.05 1.20 0.00 0.00 173.24 176.64 3k5k h GLU 1173N 1.76 0.00 -0.57 5.44 9.09 -2.01 -2.22 114.58 126.07 3k5k h GLU 1173Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 3k5k h GLU 1173Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3k5k h GLU 1173CO 0.59 0.07 0.00 0.36 0.05 0.00 0.00 179.01 180.08 3k5k n LYS 1174N -3.61 4.06 -1.67 1.06 -0.00 -1.26 -4.99 118.16 111.75 3k5k n LYS 1174Ca -0.02 -2.96 -0.51 0.00 -0.00 0.00 0.00 58.31 54.82 3k5k n LYS 1174Cb 0.18 -2.01 -0.05 0.00 -0.00 0.00 0.00 35.03 33.14 3k5k n LYS 1174CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3k5k n LYS 1176N 4.81 1.40 0.00 0.00 4.01 -1.26 -4.60 118.16 122.52 3k5k n LYS 1176Ca 0.22 -1.16 0.00 0.00 -0.51 0.00 0.00 58.31 56.86 3k5k n LYS 1176Cb 0.23 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.27 3k5k n LYS 1176CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 3k5k n HIS 1177N 0.21 0.00 -1.25 2.13 -0.00 -1.26 -4.62 115.22 110.43 3k5k n HIS 1177Ca 0.10 -0.15 -0.31 0.00 -0.00 0.00 0.00 57.72 57.36 3k5k n HIS 1177Cb 0.49 -0.02 0.09 0.00 -0.00 0.00 0.00 29.99 30.56 3k5k n HIS 1177CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3k5k s SER 1178N -0.30 4.46 0.30 0.41 1.04 -1.26 -1.68 113.70 116.66 3k5k s SER 1178Ca 0.00 1.84 0.03 0.00 0.48 0.00 0.00 55.95 58.31 3k5k s SER 1178Cb 0.00 -2.52 0.62 0.00 0.10 0.00 0.00 66.02 64.22 3k5k s SER 1178CO 0.00 -2.07 1.84 0.00 0.98 0.00 0.00 173.24 174.00 3k5k h ALA 1179N -1.13 1.60 -0.26 5.32 0.00 -1.92 0.23 119.26 123.11 3k5k h ALA 1179Ca -0.44 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3k5k h ALA 1179Cb 1.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3k5k h ALA 1179CO 0.51 0.15 0.08 1.05 0.00 0.00 0.00 179.25 181.04 3k5k h GLU 1180N 0.92 0.40 -0.73 0.00 9.09 -1.96 -0.42 114.58 121.87 3k5k h GLU 1180Ca 0.48 -0.09 -0.06 0.00 0.05 0.00 0.00 59.36 59.75 3k5k h GLU 1180Cb 0.55 -0.06 -0.03 0.00 -1.65 0.00 0.00 28.75 27.56 3k5k h GLU 1180CO -0.25 0.47 0.23 0.00 0.05 0.00 0.00 179.01 179.51 3k5k h ALA 1181N 0.91 0.96 -0.50 1.06 0.00 -1.67 -1.26 119.26 118.77 3k5k h ALA 1181Ca 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3k5k h ALA 1181Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3k5k h ALA 1181CO -0.00 0.65 0.18 0.82 0.00 0.00 0.00 179.25 180.89 3k5k h ILE 1182N 1.09 1.22 -0.56 0.00 2.04 -0.88 -2.68 117.51 117.75 3k5k h ILE 1182Ca 0.24 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3k5k h ILE 1182Cb 0.31 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3k5k h ILE 1182CO -0.01 0.26 0.35 0.00 0.00 0.00 0.00 178.15 178.76 3k5k h ALA 1183N 1.03 0.71 -0.23 1.87 0.00 -0.78 -2.42 119.26 119.44 3k5k h ALA 1183Ca 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3k5k h ALA 1183Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3k5k h ALA 1183CO -0.01 0.17 -0.00 -0.07 0.00 0.00 0.00 179.25 179.34 3k5k h LEU 1184N 0.75 0.31 -0.05 0.00 3.38 -1.10 -0.79 115.31 117.81 3k5k h LEU 1184Ca 0.20 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 3k5k h LEU 1184Cb -0.05 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.63 3k5k h LEU 1184CO -0.04 0.37 -0.47 -0.08 0.09 0.00 0.00 178.44 178.31 3k5k h GLU 1185N 0.33 0.40 -0.15 1.13 4.57 -1.23 0.24 114.58 119.88 3k5k h GLU 1185Ca 0.08 -0.37 -0.04 0.00 -1.18 0.00 0.00 59.36 57.84 3k5k h GLU 1185Cb 0.23 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3k5k h GLU 1185CO 0.01 1.02 -0.11 1.96 -1.18 0.00 0.00 179.01 180.71 3k5k h GLN 1186N -0.08 0.23 -0.00 1.92 7.50 -1.31 -1.43 115.11 121.93 3k5k h GLN 1186Ca -0.04 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.05 3k5k h GLN 1186Cb 1.15 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.64 3k5k h GLN 1186CO 0.09 0.35 -0.04 0.66 -1.50 0.00 0.00 178.83 178.40 3k5k h SER 1187N 0.22 0.04 -0.61 1.46 4.64 -1.11 -3.32 113.55 114.87 3k5k h SER 1187Ca 0.05 -0.71 0.01 0.00 -0.47 0.00 0.00 61.79 60.67 3k5k h SER 1187Cb 0.33 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 3k5k h SER 1187CO 0.02 0.74 0.41 0.08 -0.87 0.00 0.00 176.83 177.21 3k5k h ARG 1188N -0.66 0.78 -1.91 4.77 -0.00 -0.43 -2.22 114.38 114.71 3k5k h ARG 1188Ca -0.00 -0.05 -0.39 0.00 -0.00 0.00 0.00 59.98 59.54 3k5k h ARG 1188Cb 0.75 -0.18 -0.14 0.00 -0.00 0.00 0.00 29.97 30.40 3k5k h ARG 1188CO 0.01 0.52 0.22 1.47 -0.00 0.00 0.00 179.97 182.19 3k5k n LEU 1189N -4.45 6.18 0.00 0.08 -0.00 -0.55 -5.08 117.00 113.18 3k5k n LEU 1189Ca 0.06 -3.69 0.00 0.00 -0.00 0.00 0.00 56.01 52.39 3k5k n LEU 1189Cb 0.06 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.25 3k5k n LEU 1189CO 0.36 1.61 0.00 0.00 -0.00 0.00 0.00 177.39 179.35