#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kq4 n GLY 933 N 0.00 2.19 3.25 0.00 0.00 -1.26 -4.38 105.19 104.99 3kq4 n GLY 933 Ca 0.00 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 3kq4 n GLY 933 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kq4 s GLU 934 N -4.36 0.85 -0.08 1.61 -1.05 -1.12 -4.93 118.70 109.62 3kq4 s GLU 934 Ca 0.00 -0.60 0.02 0.00 -0.15 0.00 0.00 54.97 54.24 3kq4 s GLU 934 Cb 0.00 0.37 -0.02 0.00 -0.44 0.00 0.00 34.13 34.03 3kq4 s GLU 934 CO 0.00 -0.28 -0.15 0.96 0.95 0.00 0.00 175.26 176.74 3kq4 s ILE 935 N -2.92 2.98 -0.13 1.83 -4.36 -1.26 -2.34 121.20 114.99 3kq4 s ILE 935 Ca -0.02 -0.73 -0.02 0.00 -0.26 0.00 0.00 60.65 59.62 3kq4 s ILE 935 Cb 0.00 -2.19 -0.02 0.00 1.25 0.00 0.00 42.46 41.50 3kq4 s ILE 935 CO -0.06 0.57 -0.07 -0.76 0.24 0.00 0.00 174.94 174.86 3kq4 s LEU 936 N -0.31 3.10 -0.15 0.37 1.43 0.26 -4.97 118.68 118.41 3kq4 s LEU 936 Ca 0.02 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 3kq4 s LEU 936 Cb -0.13 -1.72 -0.13 0.00 0.03 0.00 0.00 46.19 44.24 3kq4 s LEU 936 CO 0.03 0.21 -0.06 0.41 0.23 0.00 0.00 176.35 177.17 3kq4 n THR 937 N 3.23 0.90 -1.23 5.49 -1.04 -1.26 -1.68 114.28 118.69 3kq4 n THR 937 Ca -0.18 -0.44 -0.37 0.00 -2.04 0.00 0.00 64.05 61.03 3kq4 n THR 937 Cb 0.53 -0.89 0.05 0.00 -1.82 0.00 0.00 70.33 68.20 3kq4 n THR 937 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3kq4 n GLU 938 N -2.75 0.21 0.13 -2.82 2.13 -1.26 -4.59 120.64 111.69 3kq4 n GLU 938 Ca -0.25 0.10 -0.00 0.00 0.66 0.00 0.00 57.16 57.67 3kq4 n GLU 938 Cb 0.85 -1.57 0.10 0.00 0.27 0.00 0.00 31.44 31.09 3kq4 n GLU 938 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3kq4 h SER 939 N -0.35 0.00 -4.26 4.31 0.02 -1.96 -3.45 113.55 107.86 3kq4 h SER 939 Ca -0.44 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.12 3kq4 h SER 939 Cb 1.36 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.72 3kq4 h SER 939 CO 0.40 0.63 -0.75 -0.89 -1.14 0.00 0.00 176.83 175.08 3kq4 s THR 940 N -3.23 1.15 -0.08 -2.27 2.01 -1.26 -1.09 115.64 110.87 3kq4 s THR 940 Ca 0.01 -1.59 -0.26 0.00 0.31 0.00 0.00 61.69 60.16 3kq4 s THR 940 Cb 0.10 -1.36 0.08 0.00 0.01 0.00 0.00 72.50 71.34 3kq4 s THR 940 CO 0.75 -0.41 1.17 0.61 -0.69 0.00 0.00 174.62 176.05 3kq4 n GLY 941 N 0.73 0.13 3.43 4.40 0.00 -1.16 -5.02 105.19 107.70 3kq4 n GLY 941 Ca -0.17 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 3kq4 n GLY 941 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kq4 s THR 942 N -2.00 1.03 -0.17 2.61 2.01 -1.26 -2.51 115.64 115.34 3kq4 s THR 942 Ca 0.28 -2.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.24 3kq4 s THR 942 Cb -0.00 -2.74 0.06 0.00 0.01 0.00 0.00 72.50 69.83 3kq4 s THR 942 CO -0.02 0.00 0.06 -0.63 -0.69 0.00 0.00 174.62 173.34 3kq4 s ILE 943 N -3.38 0.17 -0.21 1.82 1.01 -0.78 -5.00 121.20 114.83 3kq4 s ILE 943 Ca 0.36 -0.29 -0.15 0.00 0.00 0.00 0.00 60.65 60.57 3kq4 s ILE 943 Cb 0.08 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 3kq4 s ILE 943 CO 0.15 -0.22 0.37 -1.10 0.00 0.00 0.00 174.94 174.14 3kq4 s GLN 944 N 2.02 4.15 0.24 2.79 -1.52 -1.26 -3.26 119.66 122.82 3kq4 s GLN 944 Ca 0.01 0.13 -0.31 0.00 -1.95 0.00 0.00 55.36 53.24 3kq4 s GLN 944 Cb -0.16 -3.54 -0.13 0.00 -0.22 0.00 0.00 33.01 28.95 3kq4 s GLN 944 CO -0.08 -0.04 1.48 0.45 -0.25 0.00 0.00 175.29 176.84 3kq4 n SER 945 N 4.50 3.08 -0.11 5.90 2.88 -1.09 -4.91 113.62 123.86 3kq4 n SER 945 Ca -0.09 1.14 -0.09 0.00 -1.33 0.00 0.00 58.87 58.49 3kq4 n SER 945 Cb 0.51 -1.47 -0.04 0.00 -0.75 0.00 0.00 64.21 62.46 3kq4 n SER 945 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3kq4 h PRO 946 N 4.58 -0.31 -0.72 -1.46 0.11 -1.95 -2.32 132.00 129.93 3kq4 h PRO 946 Ca -0.45 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 3kq4 h PRO 946 Cb 1.26 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 3kq4 h PRO 946 CO 0.78 -0.21 0.32 0.78 -0.21 0.00 0.00 178.00 179.47 3kq4 h GLY 947 N -0.32 1.11 -4.36 -0.55 0.00 -1.91 -3.45 103.07 93.58 3kq4 h GLY 947 Ca 0.14 -0.56 -0.61 0.00 0.00 0.00 0.00 47.33 46.31 3kq4 h GLY 947 CO -0.55 0.53 -0.71 1.57 0.00 0.00 0.00 176.54 177.38 3kq4 n HIS 948 N -4.31 -1.26 0.69 5.60 -0.00 -0.87 -1.43 115.22 113.63 3kq4 n HIS 948 Ca 0.07 0.74 0.05 0.00 -0.00 0.00 0.00 57.72 58.58 3kq4 n HIS 948 Cb 0.15 -1.75 0.32 0.00 -0.00 0.00 0.00 29.99 28.71 3kq4 n HIS 948 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3kq4 n PRO 949 N 1.11 0.35 0.00 1.57 -0.02 -1.26 -4.92 135.00 131.82 3kq4 n PRO 949 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3kq4 n PRO 949 Cb 0.31 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3kq4 n PRO 949 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3kq4 n ASN 950 N -0.99 0.00 -4.73 2.55 6.94 -0.51 -4.76 115.26 113.76 3kq4 n ASN 950 Ca 0.08 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.35 3kq4 n ASN 950 Cb 0.04 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.38 3kq4 n ASN 950 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3kq4 s VAL 951 N -0.12 1.72 0.36 3.53 -7.23 -1.25 -4.92 120.40 112.50 3kq4 s VAL 951 Ca 0.00 -1.88 -0.23 0.00 -1.81 0.00 0.00 61.98 58.05 3kq4 s VAL 951 Cb 0.00 -2.60 -0.10 0.00 0.56 0.00 0.00 36.38 34.23 3kq4 s VAL 951 CO 0.00 0.00 0.93 -0.72 -0.31 0.00 0.00 175.10 175.00 3kq4 s TYR 952 N -2.76 3.52 0.51 2.82 -0.85 0.37 -4.00 117.35 116.96 3kq4 s TYR 952 Ca 0.25 1.68 -0.22 0.00 -0.52 0.00 0.00 57.07 58.26 3kq4 s TYR 952 Cb 0.04 -2.87 -0.06 0.00 0.38 0.00 0.00 41.96 39.45 3kq4 s TYR 952 CO 0.14 0.08 1.23 -2.14 -1.52 0.00 0.00 175.55 173.34 3kq4 s PRO 953 N -2.56 3.45 0.31 -3.49 0.02 -1.26 -4.42 135.00 127.05 3kq4 s PRO 953 Ca 0.55 1.93 -0.21 0.00 0.02 0.00 0.00 61.00 63.29 3kq4 s PRO 953 Cb -0.14 -2.29 -0.09 0.00 0.02 0.00 0.00 34.50 31.99 3kq4 s PRO 953 CO 0.19 -0.85 0.84 -1.01 -0.33 0.00 0.00 177.00 175.84 3kq4 s HIS 954 N -1.47 3.56 0.00 6.54 3.76 -1.26 -4.44 115.29 121.98 3kq4 s HIS 954 Ca 0.68 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 57.12 3kq4 s HIS 954 Cb -0.33 -2.74 0.00 0.00 1.11 0.00 0.00 32.58 30.62 3kq4 s HIS 954 CO 0.39 0.18 0.00 0.41 -0.85 0.00 0.00 174.74 174.87 3kq4 n GLY 955 N 0.26 0.54 3.91 -2.22 0.00 -0.65 -4.79 105.19 102.24 3kq4 n GLY 955 Ca 0.02 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 3kq4 n GLY 955 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kq4 s ILE 956 N -2.28 3.79 0.00 -0.61 -1.09 -1.26 -4.87 121.20 114.88 3kq4 s ILE 956 Ca 0.00 0.18 0.07 0.00 -2.23 0.00 0.00 60.65 58.68 3kq4 s ILE 956 Cb 0.00 -3.52 0.12 0.00 -1.58 0.00 0.00 42.46 37.48 3kq4 s ILE 956 CO 0.00 -0.58 0.97 -3.20 -1.23 0.00 0.00 174.94 170.90 3kq4 n ASN 957 N -2.66 0.19 -4.76 3.58 2.85 -1.26 -2.90 115.26 110.31 3kq4 n ASN 957 Ca 0.05 -1.85 -0.37 0.00 -0.11 0.00 0.00 54.58 52.30 3kq4 n ASN 957 Cb 0.57 -0.15 0.02 0.00 1.24 0.00 0.00 39.78 41.46 3kq4 n ASN 957 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kq4 s THR 959 N -1.54 -0.00 0.23 0.00 2.01 -1.26 -2.14 115.64 112.93 3kq4 s THR 959 Ca 0.74 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.83 3kq4 s THR 959 Cb -0.31 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 3kq4 s THR 959 CO 0.35 0.00 -0.08 0.26 -0.69 0.00 0.00 174.62 174.47 3kq4 s TRP 960 N 0.17 2.60 -0.10 4.92 0.51 -0.40 -2.79 118.94 123.85 3kq4 s TRP 960 Ca -0.00 -0.24 -0.04 0.00 -2.12 0.00 0.00 56.10 53.70 3kq4 s TRP 960 Cb -0.02 -1.21 0.05 0.00 -0.81 0.00 0.00 33.47 31.48 3kq4 s TRP 960 CO 0.00 0.58 0.18 -1.01 -0.51 0.00 0.00 176.95 176.19 3kq4 s HIS 961 N -2.05 -0.22 -0.24 -1.98 3.76 -0.99 -1.54 115.29 112.03 3kq4 s HIS 961 Ca 0.28 0.67 -0.04 0.00 -0.15 0.00 0.00 55.06 55.82 3kq4 s HIS 961 Cb -0.07 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.39 3kq4 s HIS 961 CO 0.17 -0.29 -0.02 -1.50 -0.85 0.00 0.00 174.74 172.24 3kq4 s ILE 962 N 2.32 3.36 -0.09 0.60 1.10 -0.90 -0.58 121.20 127.01 3kq4 s ILE 962 Ca 0.03 -0.65 0.02 0.00 -0.51 0.00 0.00 60.65 59.54 3kq4 s ILE 962 Cb -0.12 -2.61 0.01 0.00 0.15 0.00 0.00 42.46 39.89 3kq4 s ILE 962 CO -0.06 0.31 -0.14 -0.22 -2.11 0.00 0.00 174.94 172.71 3kq4 s LEU 963 N 1.45 1.69 0.13 8.50 2.96 -0.68 -1.13 118.68 131.60 3kq4 s LEU 963 Ca 0.04 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 3kq4 s LEU 963 Cb -0.15 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 3kq4 s LEU 963 CO -0.03 0.03 -0.00 0.54 -1.32 0.00 0.00 176.35 175.57 3kq4 s VAL 964 N 0.83 0.46 1.00 1.68 0.11 -0.36 -4.05 120.40 120.06 3kq4 s VAL 964 Ca -0.11 -1.93 -0.16 0.00 -2.93 0.00 0.00 61.98 56.86 3kq4 s VAL 964 Cb -0.15 -1.92 -0.00 0.00 -1.53 0.00 0.00 36.38 32.77 3kq4 s VAL 964 CO 0.01 -0.64 -0.06 0.00 -3.33 0.00 0.00 175.10 171.09 3kq4 n GLN 965 N -0.11 -0.47 -1.93 1.54 10.64 -1.26 -4.76 117.38 121.03 3kq4 n GLN 965 Ca -0.09 -0.11 -0.30 0.00 -1.83 0.00 0.00 57.00 54.67 3kq4 n GLN 965 Cb 0.62 -1.59 0.20 0.00 -0.86 0.00 0.00 30.24 28.62 3kq4 n GLN 965 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 3kq4 s PRO 966 N -3.15 0.38 -1.28 2.61 0.05 -1.26 -3.81 135.00 128.54 3kq4 s PRO 966 Ca 0.52 -0.51 0.00 0.00 0.05 0.00 0.00 61.00 61.06 3kq4 s PRO 966 Cb -0.16 -1.82 0.00 0.00 0.05 0.00 0.00 34.50 32.56 3kq4 s PRO 966 CO 0.70 -2.58 0.00 0.27 0.05 0.00 0.00 177.00 175.44 3kq4 n ASN 967 N -3.86 -3.57 -4.13 6.66 6.94 -1.26 -4.88 115.26 111.16 3kq4 n ASN 967 Ca 0.17 0.28 -0.15 0.00 -0.02 0.00 0.00 54.58 54.85 3kq4 n ASN 967 Cb 0.59 -3.24 -0.10 0.00 -2.36 0.00 0.00 39.78 34.67 3kq4 n ASN 967 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 3kq4 s HIS 968 N -2.25 1.38 0.13 -2.53 3.76 -1.25 -2.22 115.29 112.31 3kq4 s HIS 968 Ca 0.00 -1.35 0.04 0.00 -0.15 0.00 0.00 55.06 53.60 3kq4 s HIS 968 Cb 0.00 -0.71 -0.04 0.00 1.11 0.00 0.00 32.58 32.93 3kq4 s HIS 968 CO 0.00 -0.56 -0.10 -0.51 -0.85 0.00 0.00 174.74 172.72 3kq4 s LEU 969 N -3.25 2.48 -0.22 0.89 1.02 0.18 -3.60 118.68 116.18 3kq4 s LEU 969 Ca 0.38 -0.94 -0.08 0.00 0.02 0.00 0.00 54.13 53.52 3kq4 s LEU 969 Cb 0.07 -0.33 -0.04 0.00 0.02 0.00 0.00 46.19 45.91 3kq4 s LEU 969 CO 0.15 -0.31 0.08 -0.63 0.02 0.00 0.00 176.35 175.66 3kq4 s ILE 970 N -3.00 4.67 -0.24 -0.59 1.01 -1.25 -1.64 121.20 120.16 3kq4 s ILE 970 Ca 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 3kq4 s ILE 970 Cb 0.01 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 3kq4 s ILE 970 CO 0.00 0.39 0.01 -2.28 0.00 0.00 0.00 174.94 173.06 3kq4 s HIS 971 N 0.99 3.03 -0.30 3.97 2.46 -0.39 -1.58 115.29 123.46 3kq4 s HIS 971 Ca 0.04 -0.80 -0.14 0.00 0.47 0.00 0.00 55.06 54.63 3kq4 s HIS 971 Cb -0.14 -2.17 -0.03 0.00 -0.13 0.00 0.00 32.58 30.12 3kq4 s HIS 971 CO 0.03 -0.50 0.30 -0.51 -2.47 0.00 0.00 174.74 171.59 3kq4 s LEU 972 N 1.52 4.22 0.00 8.88 1.43 0.23 -1.05 118.68 133.91 3kq4 s LEU 972 Ca 0.05 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.11 3kq4 s LEU 972 Cb -0.15 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.80 3kq4 s LEU 972 CO -0.00 -0.20 0.01 0.23 0.23 0.00 0.00 176.35 176.62 3kq4 n MET 973 N 5.24 0.31 -2.72 1.70 2.81 0.99 -1.61 117.12 123.84 3kq4 n MET 973 Ca -0.11 -0.02 -0.07 0.00 -1.81 0.00 0.00 57.70 55.69 3kq4 n MET 973 Cb 0.51 -0.01 0.08 0.00 -0.71 0.00 0.00 33.22 33.09 3kq4 n MET 973 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3kq4 n PHE 974 N -1.70 -2.33 -0.22 2.03 3.72 -1.13 -3.82 117.46 114.01 3kq4 n PHE 974 Ca 0.00 -1.60 -0.07 0.00 -0.05 0.00 0.00 57.45 55.73 3kq4 n PHE 974 Cb 0.00 1.47 -0.06 0.00 -0.94 0.00 0.00 39.48 39.95 3kq4 n PHE 974 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3kq4 h GLU 975 N 3.21 -0.06 -5.29 -1.08 4.39 -1.90 -3.44 114.58 110.41 3kq4 h GLU 975 Ca -0.17 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.15 3kq4 h GLU 975 Cb 1.11 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 29.62 3kq4 h GLU 975 CO 0.13 -0.04 -0.73 0.99 -1.16 0.00 0.00 179.01 178.20 3kq4 s THR 976 N -4.60 1.38 -0.33 1.13 2.01 -1.17 -4.96 115.64 109.09 3kq4 s THR 976 Ca -0.08 -2.04 -0.08 0.00 0.31 0.00 0.00 61.69 59.80 3kq4 s THR 976 Cb 0.07 -1.85 0.19 0.00 0.01 0.00 0.00 72.50 70.92 3kq4 s THR 976 CO 0.39 -0.64 1.04 0.12 -0.69 0.00 0.00 174.62 174.84 3kq4 s PHE 977 N -2.99 -0.43 -0.02 4.92 5.36 -1.26 -2.74 117.98 120.83 3kq4 s PHE 977 Ca 0.17 0.01 -0.00 0.00 -0.96 0.00 0.00 56.93 56.15 3kq4 s PHE 977 Cb 0.00 0.08 -0.04 0.00 -0.34 0.00 0.00 43.02 42.72 3kq4 s PHE 977 CO 0.03 -0.30 0.04 -1.58 -1.46 0.00 0.00 175.22 171.95 3kq4 s HIS 978 N 1.71 3.20 0.06 10.12 2.46 -0.19 -4.43 115.29 128.21 3kq4 s HIS 978 Ca 0.17 0.17 -0.17 0.00 0.47 0.00 0.00 55.06 55.70 3kq4 s HIS 978 Cb 0.05 -1.73 0.03 0.00 -0.13 0.00 0.00 32.58 30.80 3kq4 s HIS 978 CO -0.13 0.51 0.39 -0.51 -2.47 0.00 0.00 174.74 172.53 3kq4 s LEU 979 N -1.48 0.49 0.25 8.88 1.43 -0.80 -4.10 118.68 123.34 3kq4 s LEU 979 Ca 0.20 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.88 3kq4 s LEU 979 Cb -0.12 1.70 -0.10 0.00 0.03 0.00 0.00 46.19 47.71 3kq4 s LEU 979 CO 0.10 -0.71 1.34 -1.83 0.23 0.00 0.00 176.35 175.48 3kq4 s GLU 980 N -2.84 4.36 0.39 1.70 -1.05 -1.26 -3.62 118.70 116.37 3kq4 s GLU 980 Ca -0.03 2.16 -0.02 0.00 -0.15 0.00 0.00 54.97 56.93 3kq4 s GLU 980 Cb 0.00 -3.14 -0.04 0.00 -0.44 0.00 0.00 34.13 30.52 3kq4 s GLU 980 CO -0.05 -0.26 0.63 0.12 0.95 0.00 0.00 175.26 176.64 3kq4 s PHE 981 N -0.31 3.52 -0.30 4.83 5.36 -1.26 -3.65 117.98 126.17 3kq4 s PHE 981 Ca 0.55 0.52 -0.16 0.00 -0.96 0.00 0.00 56.93 56.88 3kq4 s PHE 981 Cb -0.39 -2.04 0.17 0.00 -0.34 0.00 0.00 43.02 40.42 3kq4 s PHE 981 CO 0.44 -0.01 1.03 -1.58 -1.46 0.00 0.00 175.22 173.65 3kq4 s HIS 982 N -2.44 -0.58 0.10 10.12 2.46 -1.26 -4.92 115.29 118.77 3kq4 s HIS 982 Ca 0.43 1.01 -0.30 0.00 0.47 0.00 0.00 55.06 56.66 3kq4 s HIS 982 Cb -0.10 0.35 -0.11 0.00 -0.13 0.00 0.00 32.58 32.59 3kq4 s HIS 982 CO 0.39 -0.29 1.61 -0.92 -2.47 0.00 0.00 174.74 173.06 3kq4 h TYR 983 N 7.34 -0.96 0.00 3.88 3.20 -1.99 0.27 116.97 128.71 3kq4 h TYR 983 Ca -0.16 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.72 3kq4 h TYR 983 Cb 1.12 0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.78 3kq4 h TYR 983 CO 0.20 -0.48 0.00 -1.71 -1.64 0.00 0.00 178.16 174.53 3kq4 n ASN 984 N -5.45 0.43 -2.36 -2.11 4.05 -1.26 -4.90 115.26 103.66 3kq4 n ASN 984 Ca -0.08 0.63 -0.10 0.00 0.45 0.00 0.00 54.58 55.47 3kq4 n ASN 984 Cb 0.36 -0.71 0.05 0.00 1.23 0.00 0.00 39.78 40.71 3kq4 n ASN 984 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kq4 n THR 986 N -2.90 1.45 0.00 0.00 -1.04 -1.26 -4.84 114.28 105.69 3kq4 n THR 986 Ca -0.15 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 3kq4 n THR 986 Cb 0.59 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 3kq4 n THR 986 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3kq4 n ASN 987 N -3.81 0.00 -4.92 8.00 3.02 -1.26 -4.72 115.26 111.56 3kq4 n ASN 987 Ca -0.49 0.12 -0.27 0.00 -0.03 0.00 0.00 54.58 53.90 3kq4 n ASN 987 Cb 0.91 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.05 3kq4 n ASN 987 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3kq4 s ASP 988 N -1.98 6.40 0.00 6.41 1.11 -1.26 -3.99 116.67 123.35 3kq4 s ASP 988 Ca 0.00 0.51 0.00 0.00 0.18 0.00 0.00 52.55 53.24 3kq4 s ASP 988 Cb 0.00 -2.05 0.00 0.00 1.07 0.00 0.00 42.92 41.94 3kq4 s ASP 988 CO 0.00 -0.11 0.00 0.00 1.18 0.00 0.00 175.17 176.24 3kq4 n TYR 989 N -0.85 0.00 -3.73 4.23 0.18 -1.08 -4.71 117.16 111.21 3kq4 n TYR 989 Ca -0.04 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.57 3kq4 n TYR 989 Cb 0.54 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.33 3kq4 n TYR 989 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 3kq4 s LEU 990 N 0.00 0.63 0.21 -3.48 0.20 -0.84 -2.48 118.68 112.91 3kq4 s LEU 990 Ca 0.00 0.05 0.09 0.00 0.69 0.00 0.00 54.13 54.97 3kq4 s LEU 990 Cb 0.00 -0.11 -0.05 0.00 -0.43 0.00 0.00 46.19 45.60 3kq4 s LEU 990 CO 0.00 -0.19 -0.17 -1.83 -0.29 0.00 0.00 176.35 173.87 3kq4 s GLU 991 N 1.60 1.39 -0.21 1.98 -1.05 -0.96 0.12 118.70 121.57 3kq4 s GLU 991 Ca -0.02 -1.56 -0.03 0.00 -0.15 0.00 0.00 54.97 53.20 3kq4 s GLU 991 Cb -0.13 -1.37 0.07 0.00 -0.44 0.00 0.00 34.13 32.26 3kq4 s GLU 991 CO -0.03 0.26 0.06 0.54 0.95 0.00 0.00 175.26 177.04 3kq4 s VAL 992 N -2.49 0.35 0.24 1.83 0.11 -0.77 -2.46 120.40 117.21 3kq4 s VAL 992 Ca 0.22 -0.56 -0.21 0.00 -2.93 0.00 0.00 61.98 58.49 3kq4 s VAL 992 Cb -0.04 -0.97 -0.09 0.00 -1.53 0.00 0.00 36.38 33.75 3kq4 s VAL 992 CO 0.09 -0.32 0.77 -0.47 -3.33 0.00 0.00 175.10 171.83 3kq4 s TYR 993 N 1.93 3.67 -0.98 1.54 5.04 -1.06 -1.39 117.35 126.11 3kq4 s TYR 993 Ca 0.02 1.48 -0.22 0.00 -2.44 0.00 0.00 57.07 55.92 3kq4 s TYR 993 Cb -0.17 -2.69 0.08 0.00 0.35 0.00 0.00 41.96 39.53 3kq4 s TYR 993 CO -0.13 0.32 1.33 0.34 -1.34 0.00 0.00 175.55 176.07 3kq4 s ASP 994 N -1.61 6.53 0.19 4.32 2.15 -1.23 -1.14 116.67 125.89 3kq4 s ASP 994 Ca 0.44 -1.62 -0.19 0.00 0.43 0.00 0.00 52.55 51.61 3kq4 s ASP 994 Cb -0.17 -2.51 0.15 0.00 -0.30 0.00 0.00 42.92 40.09 3kq4 s ASP 994 CO 0.22 -1.36 1.60 0.74 -0.17 0.00 0.00 175.17 176.19 3kq4 h THR 995 N 6.44 0.22 0.00 1.71 2.02 -1.87 0.44 112.91 121.86 3kq4 h THR 995 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 3kq4 h THR 995 Cb 1.02 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3kq4 h THR 995 CO 1.31 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 176.53 3kq4 n ASP 996 N -5.44 0.00 -4.19 4.18 -0.08 -1.24 -4.71 116.55 105.07 3kq4 n ASP 996 Ca 0.05 0.28 -0.12 0.00 -1.51 0.00 0.00 54.79 53.49 3kq4 n ASP 996 Cb 0.35 -0.31 -0.10 0.00 2.34 0.00 0.00 41.12 43.40 3kq4 n ASP 996 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3kq4 s SER 997 N -2.62 0.32 0.96 1.67 0.01 0.15 -4.94 113.70 109.25 3kq4 s SER 997 Ca 0.02 -1.32 -0.12 0.00 1.31 0.00 0.00 55.95 55.84 3kq4 s SER 997 Cb 0.02 0.33 0.17 0.00 0.21 0.00 0.00 66.02 66.74 3kq4 s SER 997 CO 0.04 -0.78 1.11 -1.61 0.41 0.00 0.00 173.24 172.41 3kq4 s GLU 998 N -4.10 0.74 0.22 12.44 0.41 -1.26 -4.64 118.70 122.52 3kq4 s GLU 998 Ca 0.33 0.42 0.00 0.00 -0.41 0.00 0.00 54.97 55.31 3kq4 s GLU 998 Cb 0.07 -1.78 0.00 0.00 -1.78 0.00 0.00 34.13 30.64 3kq4 s GLU 998 CO 0.08 -2.50 0.00 2.41 -0.49 0.00 0.00 175.26 174.77 3kq4 n THR 999 N -4.00 0.00 -3.78 3.63 -1.04 -1.26 -4.81 114.28 103.03 3kq4 n THR 999 Ca 0.06 0.09 -0.13 0.00 -2.04 0.00 0.00 64.05 62.03 3kq4 n THR 999 Cb 0.58 -0.38 -0.09 0.00 -1.82 0.00 0.00 70.33 68.62 3kq4 n THR 999 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3kq4 s SER 1000N -5.42 -0.18 0.47 8.00 0.15 -1.26 -3.50 113.70 111.95 3kq4 s SER 1000Ca 0.00 0.13 0.25 0.00 0.70 0.00 0.00 55.95 57.03 3kq4 s SER 1000Cb 0.00 0.35 1.13 0.00 -1.71 0.00 0.00 66.02 65.79 3kq4 s SER 1000CO 0.00 -0.38 1.92 -0.07 1.20 0.00 0.00 173.24 175.91 3kq4 h LEU 1001N 4.21 0.00 0.00 3.45 3.38 -1.55 -3.47 115.31 121.33 3kq4 h LEU 1001Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3kq4 h LEU 1001Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3kq4 h LEU 1001CO 0.39 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.72 3kq4 n GLY 1002N -0.19 3.21 3.64 0.83 0.00 -1.24 -4.98 105.19 106.47 3kq4 n GLY 1002Ca -0.01 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 3kq4 n GLY 1002CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kq4 s ARG 1003N -2.02 2.81 -0.16 1.61 3.52 -1.26 -1.85 118.95 121.60 3kq4 s ARG 1003Ca 0.00 -0.54 -0.04 0.00 -0.13 0.00 0.00 55.73 55.02 3kq4 s ARG 1003Cb 0.00 -2.67 0.06 0.00 -1.56 0.00 0.00 34.95 30.78 3kq4 s ARG 1003CO 0.00 0.66 0.07 0.71 -0.81 0.00 0.00 175.30 175.92 3kq4 s TYR 1004N -0.93 0.46 0.46 5.12 2.02 0.32 -4.94 117.35 119.86 3kq4 s TYR 1004Ca 0.15 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 56.49 3kq4 s TYR 1004Cb -0.11 -0.78 -0.02 0.00 -0.40 0.00 0.00 41.96 40.65 3kq4 s TYR 1004CO 0.05 -0.51 0.28 0.00 -1.57 0.00 0.00 175.55 173.80 3kq4 n GLY 1006N -1.45 0.41 0.01 0.00 0.00 -1.24 -3.78 105.19 99.13 3kq4 n GLY 1006Ca -0.01 -0.96 0.07 0.00 0.00 0.00 0.00 46.02 45.12 3kq4 n GLY 1006CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kq4 n LYS 1007N 10.60 0.88 -2.67 1.61 4.76 -1.26 -1.91 118.16 130.17 3kq4 n LYS 1007Ca 0.00 -0.10 -0.41 0.00 -2.87 0.00 0.00 58.31 54.93 3kq4 n LYS 1007Cb 0.00 -1.30 -0.04 0.00 -1.84 0.00 0.00 35.03 31.85 3kq4 n LYS 1007CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3kq4 s SER 1008N -3.36 7.42 0.00 4.39 1.04 -1.25 -4.93 113.70 117.01 3kq4 s SER 1008Ca -0.03 1.86 0.00 0.00 0.48 0.00 0.00 55.95 58.26 3kq4 s SER 1008Cb 0.10 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.63 3kq4 s SER 1008CO 0.60 -0.13 0.00 0.00 0.98 0.00 0.00 173.24 174.69 3kq4 n ILE 1009N 2.83 0.00 -1.60 -1.02 0.13 -1.26 -4.52 119.36 113.92 3kq4 n ILE 1009Ca 0.03 0.00 -0.54 0.00 -1.10 0.00 0.00 62.75 61.14 3kq4 n ILE 1009Cb 0.49 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.22 3kq4 n ILE 1009CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 3kq4 n PRO 1010N 0.00 0.99 -0.16 9.51 -0.02 -1.26 -4.80 135.00 139.26 3kq4 n PRO 1010Ca 0.00 0.36 0.29 0.00 -2.02 0.00 0.00 63.50 62.12 3kq4 n PRO 1010Cb 0.00 -1.98 0.71 0.00 -0.02 0.00 0.00 33.50 32.20 3kq4 n PRO 1010CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kq4 h PRO 1011N 4.71 0.00 -5.14 0.52 0.11 -1.93 -3.39 132.00 126.88 3kq4 h PRO 1011Ca -0.48 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.20 3kq4 h PRO 1011Cb 1.35 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.20 3kq4 h PRO 1011CO 0.79 0.00 -0.79 -1.12 -0.21 0.00 0.00 178.00 176.67 3kq4 s SER 1012N -5.06 1.48 0.08 -2.05 0.01 -1.26 -2.82 113.70 104.08 3kq4 s SER 1012Ca -0.04 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 56.86 3kq4 s SER 1012Cb 0.19 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 3kq4 s SER 1012CO 0.68 0.05 -0.08 -0.76 0.41 0.00 0.00 173.24 173.54 3kq4 s LEU 1013N -0.87 2.42 -0.13 2.44 1.43 -0.64 -4.99 118.68 118.34 3kq4 s LEU 1013Ca 0.02 -0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 52.21 3kq4 s LEU 1013Cb -0.07 -0.15 0.05 0.00 0.03 0.00 0.00 46.19 46.05 3kq4 s LEU 1013CO 0.01 -0.35 0.31 -0.89 0.23 0.00 0.00 176.35 175.66 3kq4 s THR 1014N -2.76 -0.03 0.79 5.49 2.01 -1.26 -0.60 115.64 119.27 3kq4 s THR 1014Ca 0.05 0.12 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 3kq4 s THR 1014Cb -0.01 -0.47 0.06 0.00 0.01 0.00 0.00 72.50 72.09 3kq4 s THR 1014CO -0.02 0.05 1.09 -0.94 -0.69 0.00 0.00 174.62 174.11 3kq4 s SER 1015N 1.29 4.59 0.01 3.53 1.04 -0.62 -4.98 113.70 118.56 3kq4 s SER 1015Ca -0.09 1.32 -0.06 0.00 0.48 0.00 0.00 55.95 57.60 3kq4 s SER 1015Cb -0.09 -2.07 -0.29 0.00 0.10 0.00 0.00 66.02 63.67 3kq4 s SER 1015CO -0.10 -1.91 0.88 0.77 0.98 0.00 0.00 173.24 173.87 3kq4 h SER 1016N -1.04 0.48 -0.90 7.02 4.64 -1.92 -3.43 113.55 118.39 3kq4 h SER 1016Ca -0.47 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.23 3kq4 h SER 1016Cb 1.26 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3kq4 h SER 1016CO 0.59 1.51 0.00 0.61 -0.87 0.00 0.00 176.83 178.67 3kq4 n GLY 1017N 1.68 4.28 0.96 -0.77 0.00 -1.26 -4.95 105.19 105.14 3kq4 n GLY 1017Ca -0.17 -1.96 0.08 0.00 0.00 0.00 0.00 46.02 43.97 3kq4 n GLY 1017CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kq4 n ASN 1018N 0.00 3.98 -3.84 1.61 6.94 -1.24 -3.76 115.26 118.95 3kq4 n ASN 1018Ca 0.00 -2.92 -0.12 0.00 -0.02 0.00 0.00 54.58 51.52 3kq4 n ASN 1018Cb 0.00 -0.53 -0.11 0.00 -2.36 0.00 0.00 39.78 36.78 3kq4 n ASN 1018CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3kq4 s SER 1019N -1.75 -0.08 -0.12 0.53 1.04 -1.25 -1.23 113.70 110.85 3kq4 s SER 1019Ca 0.42 0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.83 3kq4 s SER 1019Cb 0.33 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.78 3kq4 s SER 1019CO 0.10 -0.26 0.28 -0.76 0.98 0.00 0.00 173.24 173.58 3kq4 s LEU 1020N -0.80 0.41 0.24 2.42 1.43 -0.29 -3.32 118.68 118.77 3kq4 s LEU 1020Ca -0.09 0.59 -0.23 0.00 -1.03 0.00 0.00 54.13 53.38 3kq4 s LEU 1020Cb -0.05 0.87 -0.09 0.00 0.03 0.00 0.00 46.19 46.96 3kq4 s LEU 1020CO 0.01 -0.16 0.80 -0.04 0.23 0.00 0.00 176.35 177.19 3kq4 s MET 1021N 1.11 4.41 -0.41 1.70 -1.94 -0.29 -2.11 119.30 121.78 3kq4 s MET 1021Ca -0.08 1.05 0.04 0.00 -1.71 0.00 0.00 55.69 54.99 3kq4 s MET 1021Cb -0.09 -2.93 0.16 0.00 2.01 0.00 0.00 34.83 33.99 3kq4 s MET 1021CO -0.08 0.40 0.37 -0.51 -0.01 0.00 0.00 175.02 175.19 3kq4 s LEU 1022N -1.84 0.70 -0.18 -0.03 1.43 -0.59 -2.56 118.68 115.61 3kq4 s LEU 1022Ca 0.44 -2.49 -0.13 0.00 -1.03 0.00 0.00 54.13 50.92 3kq4 s LEU 1022Cb -0.18 0.04 -0.05 0.00 0.03 0.00 0.00 46.19 46.03 3kq4 s LEU 1022CO 0.23 -0.20 0.26 0.54 0.23 0.00 0.00 176.35 177.41 3kq4 s VAL 1023N 0.58 5.32 -0.15 -1.59 0.11 -1.03 -1.28 120.40 122.37 3kq4 s VAL 1023Ca 0.27 0.46 -0.02 0.00 -2.93 0.00 0.00 61.98 59.76 3kq4 s VAL 1023Cb -0.05 -3.60 -0.02 0.00 -1.53 0.00 0.00 36.38 31.18 3kq4 s VAL 1023CO -0.11 0.37 -0.07 0.12 -3.33 0.00 0.00 175.10 172.08 3kq4 s PHE 1024N 0.63 2.95 -0.12 1.54 5.36 -0.91 -2.26 117.98 125.16 3kq4 s PHE 1024Ca 0.14 -0.43 -0.06 0.00 -0.96 0.00 0.00 56.93 55.62 3kq4 s PHE 1024Cb -0.13 -1.92 0.05 0.00 -0.34 0.00 0.00 43.02 40.69 3kq4 s PHE 1024CO 0.03 -0.10 0.28 0.54 -1.46 0.00 0.00 175.22 174.51 3kq4 s VAL 1025N 0.36 -0.10 0.00 3.12 0.11 -1.04 -2.81 120.40 120.05 3kq4 s VAL 1025Ca -0.07 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 3kq4 s VAL 1025Cb -0.15 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 3kq4 s VAL 1025CO 0.04 0.06 0.00 0.35 -3.33 0.00 0.00 175.10 172.22 3kq4 n THR 1026N 4.40 0.00 -4.00 5.04 -2.24 -1.14 -2.63 114.28 113.71 3kq4 n THR 1026Ca -0.22 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 3kq4 n THR 1026Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 3kq4 n THR 1026CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kq4 s ASP 1027N 1.00 0.67 0.03 3.42 -4.77 -1.26 -4.41 116.67 111.36 3kq4 s ASP 1027Ca 0.00 -1.40 -0.27 0.00 -3.30 0.00 0.00 52.55 47.58 3kq4 s ASP 1027Cb 0.00 0.73 -0.17 0.00 -1.09 0.00 0.00 42.92 42.40 3kq4 s ASP 1027CO 0.00 -1.44 1.32 0.77 0.70 0.00 0.00 175.17 176.52 3kq4 h SER 1028N 2.06 -0.47 -3.40 2.11 4.64 -1.95 -1.72 113.55 114.82 3kq4 h SER 1028Ca -0.30 -0.10 -0.55 0.00 -0.47 0.00 0.00 61.79 60.38 3kq4 h SER 1028Cb 1.24 0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.42 3kq4 h SER 1028CO 0.39 -0.15 0.21 1.51 -0.87 0.00 0.00 176.83 177.93 3kq4 s ASP 1029N -4.88 7.18 0.00 4.97 -4.77 -1.26 -4.71 116.67 113.21 3kq4 s ASP 1029Ca -0.15 1.43 0.00 0.00 -3.30 0.00 0.00 52.55 50.53 3kq4 s ASP 1029Cb 0.03 -2.49 0.00 0.00 -1.09 0.00 0.00 42.92 39.37 3kq4 s ASP 1029CO 0.55 -0.14 0.00 0.18 0.70 0.00 0.00 175.17 176.46 3kq4 n LEU 1030N 3.61 -1.21 -3.97 2.11 4.77 -1.26 -4.98 117.00 116.08 3kq4 n LEU 1030Ca 0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 3kq4 n LEU 1030Cb 0.51 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 3kq4 n LEU 1030CO 0.49 0.00 0.27 0.00 -1.33 0.00 0.00 177.39 176.82 3kq4 s ALA 1031N -0.37 -0.31 0.23 -1.18 0.00 -1.26 -4.81 121.76 114.06 3kq4 s ALA 1031Ca 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 3kq4 s ALA 1031Cb 0.00 1.00 0.03 0.00 0.00 0.00 0.00 23.12 24.15 3kq4 s ALA 1031CO 0.00 -0.89 0.45 0.66 0.00 0.00 0.00 175.76 175.98 3kq4 n TYR 1032N -0.44 -1.72 0.00 0.00 4.01 -1.26 -4.95 117.16 112.80 3kq4 n TYR 1032Ca -0.02 -1.16 0.00 0.00 -0.16 0.00 0.00 57.90 56.56 3kq4 n TYR 1032Cb 0.61 0.53 0.00 0.00 -0.31 0.00 0.00 39.34 40.17 3kq4 n TYR 1032CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3kq4 n GLU 1033N -0.32 0.00 0.00 -0.72 0.00 -1.26 -0.47 120.64 117.86 3kq4 n GLU 1033Ca -0.05 0.32 0.00 0.00 0.00 0.00 0.00 57.16 57.43 3kq4 n GLU 1033Cb 0.36 -1.55 0.00 0.00 0.00 0.00 0.00 31.44 30.25 3kq4 n GLU 1033CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kq4 n GLY 1034N -1.30 0.57 3.64 -1.84 0.00 -1.26 -3.80 105.19 101.20 3kq4 n GLY 1034Ca 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 3kq4 n GLY 1034CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kq4 s PHE 1035N 0.00 -0.77 0.21 1.61 -0.12 -1.26 -1.02 117.98 116.62 3kq4 s PHE 1035Ca 0.00 1.68 -0.03 0.00 -0.05 0.00 0.00 56.93 58.53 3kq4 s PHE 1035Cb 0.00 0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 42.76 3kq4 s PHE 1035CO 0.00 -0.38 0.44 -1.17 -0.05 0.00 0.00 175.22 174.06 3kq4 s LEU 1036N 0.94 4.19 -0.30 -1.99 2.96 -1.11 -2.68 118.68 120.69 3kq4 s LEU 1036Ca -0.04 0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 54.37 3kq4 s LEU 1036Cb -0.05 -3.33 0.19 0.00 0.50 0.00 0.00 46.19 43.50 3kq4 s LEU 1036CO -0.10 -0.06 0.79 -0.51 -1.32 0.00 0.00 176.35 175.14 3kq4 s ILE 1037N -1.88 -0.72 0.55 6.68 2.07 -1.20 -3.03 121.20 123.67 3kq4 s ILE 1037Ca 0.41 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.62 3kq4 s ILE 1037Cb -0.11 -0.97 0.01 0.00 0.13 0.00 0.00 42.46 41.52 3kq4 s ILE 1037CO 0.28 0.00 0.82 0.20 -1.91 0.00 0.00 174.94 174.33 3kq4 s ASN 1038N 2.90 5.56 0.20 4.50 -0.87 -1.25 -1.86 114.94 124.12 3kq4 s ASN 1038Ca 0.12 0.46 -0.21 0.00 -1.57 0.00 0.00 52.86 51.66 3kq4 s ASN 1038Cb -0.12 -1.49 0.04 0.00 -0.02 0.00 0.00 41.25 39.66 3kq4 s ASN 1038CO -0.17 -1.00 0.61 -0.72 -2.57 0.00 0.00 177.10 173.24 3kq4 s TYR 1039N -2.84 -0.33 0.10 2.20 -0.85 -1.04 -0.01 117.35 114.58 3kq4 s TYR 1039Ca 0.53 0.02 -0.25 0.00 -0.52 0.00 0.00 57.07 56.85 3kq4 s TYR 1039Cb -0.10 0.55 0.07 0.00 0.38 0.00 0.00 41.96 42.86 3kq4 s TYR 1039CO 0.42 -0.97 0.64 -1.83 -1.52 0.00 0.00 175.55 172.29 3kq4 s GLU 1040N -3.83 1.19 0.53 -3.49 -1.05 -0.21 -2.98 118.70 108.86 3kq4 s GLU 1040Ca 0.06 -0.31 -0.16 0.00 -0.15 0.00 0.00 54.97 54.41 3kq4 s GLU 1040Cb -0.02 0.55 -0.07 0.00 -0.44 0.00 0.00 34.13 34.15 3kq4 s GLU 1040CO -0.05 -0.49 1.00 0.00 0.95 0.00 0.00 175.26 176.67 3kq4 s ALA 1041N -3.17 3.00 -0.19 -0.84 0.00 -0.25 -1.26 121.76 119.05 3kq4 s ALA 1041Ca -0.01 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.09 3kq4 s ALA 1041Cb -0.01 -3.14 0.08 0.00 0.00 0.00 0.00 23.12 20.05 3kq4 s ALA 1041CO -0.08 -0.37 0.42 0.42 0.00 0.00 0.00 175.76 176.15 3kq4 s ILE 1042N -2.60 -0.45 0.40 0.00 1.01 -0.65 -4.88 121.20 114.03 3kq4 s ILE 1042Ca 0.60 0.15 -0.26 0.00 0.00 0.00 0.00 60.65 61.13 3kq4 s ILE 1042Cb -0.11 -0.65 -0.09 0.00 0.01 0.00 0.00 42.46 41.62 3kq4 s ILE 1042CO 0.33 0.06 1.32 -0.55 0.00 0.00 0.00 174.94 176.10 3kq4 s SER 1043N 2.23 6.34 0.29 3.58 0.15 -1.26 0.48 113.70 125.50 3kq4 s SER 1043Ca -0.04 2.68 0.23 0.00 0.70 0.00 0.00 55.95 59.53 3kq4 s SER 1043Cb -0.11 -2.64 0.27 0.00 -1.71 0.00 0.00 66.02 61.83 3kq4 s SER 1043CO -0.13 -0.84 1.39 0.00 1.20 0.00 0.00 173.24 174.86 3kq4 h ALA 1044N 2.74 0.76 0.15 5.45 0.00 -1.77 -3.03 119.26 123.56 3kq4 h ALA 1044Ca -0.50 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3kq4 h ALA 1044Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kq4 h ALA 1044CO 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.80 3kq4 h ALA 1045N 2.13 -0.78 0.00 0.00 0.00 -1.92 -3.21 119.26 115.48 3kq4 h ALA 1045Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kq4 h ALA 1045Cb 0.94 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kq4 h ALA 1045CO 0.00 -0.76 0.00 2.41 0.00 0.00 0.00 179.25 180.90 3kq4 n THR 1046N -2.72 0.00 -3.41 0.00 -1.04 -1.25 -4.50 114.28 101.37 3kq4 n THR 1046Ca -0.03 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.54 3kq4 n THR 1046Cb 0.08 -0.86 -0.05 0.00 -1.82 0.00 0.00 70.33 67.69 3kq4 n THR 1046CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kq4 s ALA 1047N -1.67 3.76 -0.24 2.41 0.00 -1.14 -4.78 121.76 120.09 3kq4 s ALA 1047Ca 0.00 -2.91 -0.08 0.00 0.00 0.00 0.00 51.96 48.97 3kq4 s ALA 1047Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 3kq4 s ALA 1047CO 0.00 -2.10 0.08 0.00 0.00 0.00 0.00 175.76 173.74 3kq4 s LEU 1049N 1.37 -0.63 -0.07 0.00 1.43 -1.26 -2.85 118.68 116.66 3kq4 s LEU 1049Ca 0.05 1.21 -0.03 0.00 -1.03 0.00 0.00 54.13 54.33 3kq4 s LEU 1049Cb -0.15 1.82 0.04 0.00 0.03 0.00 0.00 46.19 47.93 3kq4 s LEU 1049CO 0.04 -0.22 0.17 0.00 0.23 0.00 0.00 176.35 176.57 3kq4 s GLN 1050N 1.95 0.12 -0.05 1.70 -2.07 -0.93 -4.99 119.66 115.39 3kq4 s GLN 1050Ca -0.08 0.40 -0.08 0.00 -1.82 0.00 0.00 55.36 53.79 3kq4 s GLN 1050Cb -0.09 -0.16 -0.05 0.00 -1.09 0.00 0.00 33.01 31.63 3kq4 s GLN 1050CO -0.16 -0.16 0.23 -0.51 -1.32 0.00 0.00 175.29 173.37 3kq4 s ASP 1051N 1.16 6.49 0.08 12.60 1.11 -1.26 -2.89 116.67 133.95 3kq4 s ASP 1051Ca -0.09 0.57 0.06 0.00 0.18 0.00 0.00 52.55 53.27 3kq4 s ASP 1051Cb -0.11 -2.10 -0.03 0.00 1.07 0.00 0.00 42.92 41.75 3kq4 s ASP 1051CO -0.06 0.34 -0.17 -0.31 1.18 0.00 0.00 175.17 176.15 3kq4 s TYR 1052N -1.15 1.43 0.00 4.23 1.51 -0.83 -5.01 117.35 117.54 3kq4 s TYR 1052Ca 0.21 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 3kq4 s TYR 1052Cb -0.13 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.92 3kq4 s TYR 1052CO 0.10 0.11 0.00 0.25 -1.11 0.00 0.00 175.55 174.90 3kq4 n THR 1053N 1.27 0.00 0.00 -0.71 -2.24 -1.26 -1.77 114.28 109.57 3kq4 n THR 1053Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3kq4 n THR 1053Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3kq4 n THR 1053CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kq4 n ASP 1054N -0.71 0.00 -1.99 3.42 8.00 -1.26 -4.69 116.55 119.32 3kq4 n ASP 1054Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 3kq4 n ASP 1054Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 3kq4 n ASP 1054CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kq4 n ASP 1055N -0.62 -5.39 -3.79 -2.24 8.00 -1.26 -5.01 116.55 106.25 3kq4 n ASP 1055Ca 0.00 0.09 -0.20 0.00 0.71 0.00 0.00 54.79 55.39 3kq4 n ASP 1055Cb 0.00 -4.46 -0.17 0.00 -0.02 0.00 0.00 41.12 36.47 3kq4 n ASP 1055CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kq4 s LEU 1056N -5.15 0.81 -1.35 0.64 1.43 -1.26 -4.56 118.68 109.23 3kq4 s LEU 1056Ca 0.00 -0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 52.89 3kq4 s LEU 1056Cb 0.00 -0.32 0.06 0.00 0.03 0.00 0.00 46.19 45.96 3kq4 s LEU 1056CO 0.00 -0.15 1.91 0.61 0.23 0.00 0.00 176.35 178.95 3kq4 n GLY 1057N 4.68 3.25 1.31 -3.19 0.00 -1.26 -4.73 105.19 105.26 3kq4 n GLY 1057Ca -0.15 -1.52 0.02 0.00 0.00 0.00 0.00 46.02 44.36 3kq4 n GLY 1057CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kq4 n THR 1058N 5.91 1.60 -4.12 2.61 -2.24 -1.26 -4.41 114.28 112.37 3kq4 n THR 1058Ca 0.50 -0.80 -0.36 0.00 -2.27 0.00 0.00 64.05 61.13 3kq4 n THR 1058Cb 0.43 -0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 68.16 3kq4 n THR 1058CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3kq4 s PHE 1059N -1.95 3.33 -0.15 4.78 -0.12 -1.21 -5.02 117.98 117.65 3kq4 s PHE 1059Ca 0.30 0.29 -0.23 0.00 -0.05 0.00 0.00 56.93 57.23 3kq4 s PHE 1059Cb 0.23 -1.90 0.06 0.00 -0.63 0.00 0.00 43.02 40.78 3kq4 s PHE 1059CO 0.08 0.50 0.60 0.99 -0.05 0.00 0.00 175.22 177.34 3kq4 s THR 1060N -0.67 0.01 0.68 -4.49 2.01 -1.26 -1.34 115.64 110.58 3kq4 s THR 1060Ca 0.12 -0.05 -0.17 0.00 0.31 0.00 0.00 61.69 61.89 3kq4 s THR 1060Cb -0.12 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.53 3kq4 s THR 1060CO 0.02 -0.03 1.22 -1.54 -0.69 0.00 0.00 174.62 173.60 3kq4 n SER 1061N 2.03 1.60 -4.56 3.53 3.41 -0.25 -4.88 113.62 114.50 3kq4 n SER 1061Ca -0.16 0.76 -0.45 0.00 -0.26 0.00 0.00 58.87 58.76 3kq4 n SER 1061Cb 0.56 -1.52 -0.02 0.00 -0.26 0.00 0.00 64.21 62.98 3kq4 n SER 1061CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3kq4 n PRO 1062N -2.10 1.16 0.00 4.33 -0.02 -1.26 -1.79 135.00 135.32 3kq4 n PRO 1062Ca 0.15 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3kq4 n PRO 1062Cb 0.49 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 3kq4 n PRO 1062CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kq4 n ASN 1063N 1.31 0.00 -4.61 2.55 3.02 -1.26 -4.03 115.26 112.24 3kq4 n ASN 1063Ca 0.11 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.19 3kq4 n ASN 1063Cb 0.31 -0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 38.71 3kq4 n ASN 1063CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3kq4 n PHE 1064N -1.97 1.59 1.15 3.10 7.35 -0.74 -1.17 117.46 126.78 3kq4 n PHE 1064Ca 0.00 0.60 0.14 0.00 -0.76 0.00 0.00 57.45 57.43 3kq4 n PHE 1064Cb 0.00 -2.33 0.52 0.00 0.35 0.00 0.00 39.48 38.02 3kq4 n PHE 1064CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3kq4 n PRO 1065N 1.57 0.26 -0.70 -7.13 -0.05 -1.26 -5.02 135.00 122.67 3kq4 n PRO 1065Ca 0.12 -0.08 -0.29 0.00 -0.05 0.00 0.00 63.50 63.20 3kq4 n PRO 1065Cb 0.29 -1.50 0.23 0.00 -0.05 0.00 0.00 33.50 32.46 3kq4 n PRO 1065CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 3kq4 s ASN 1066N -2.80 1.55 0.10 3.54 0.01 -0.31 -4.60 114.94 112.42 3kq4 s ASN 1066Ca 0.19 1.53 -0.31 0.00 -0.71 0.00 0.00 52.86 53.56 3kq4 s ASN 1066Cb 0.19 -2.25 -0.07 0.00 0.41 0.00 0.00 41.25 39.53 3kq4 s ASN 1066CO 0.56 -3.85 1.27 0.20 -1.51 0.00 0.00 177.10 173.76 3kq4 s ASN 1067N -2.74 6.99 0.75 -1.22 -0.87 -1.25 -4.53 114.94 112.07 3kq4 s ASN 1067Ca 0.67 2.15 -0.12 0.00 -1.57 0.00 0.00 52.86 54.00 3kq4 s ASN 1067Cb -0.23 -2.59 0.05 0.00 -0.02 0.00 0.00 41.25 38.46 3kq4 s ASN 1067CO 0.62 -0.52 1.11 -0.72 -2.57 0.00 0.00 177.10 175.02 3kq4 s TYR 1068N 0.93 2.48 0.89 2.20 -0.85 -0.05 -4.84 117.35 118.10 3kq4 s TYR 1068Ca 0.60 1.58 -0.14 0.00 -0.52 0.00 0.00 57.07 58.59 3kq4 s TYR 1068Cb -0.32 -3.13 0.14 0.00 0.38 0.00 0.00 41.96 39.03 3kq4 s TYR 1068CO 0.31 -1.90 1.25 -1.25 -1.52 0.00 0.00 175.55 172.43 3kq4 s PRO 1069N -4.60 1.28 0.25 -3.49 0.05 -1.26 -4.51 135.00 122.72 3kq4 s PRO 1069Ca 0.64 -0.13 -0.03 0.00 0.05 0.00 0.00 61.00 61.52 3kq4 s PRO 1069Cb -0.19 -1.89 -0.05 0.00 0.05 0.00 0.00 34.50 32.42 3kq4 s PRO 1069CO 0.52 -2.02 0.49 -0.80 0.05 0.00 0.00 177.00 175.23 3kq4 s ASN 1070N -4.70 6.43 -1.22 6.66 0.01 -1.26 -4.30 114.94 116.55 3kq4 s ASN 1070Ca 0.68 0.60 0.00 0.00 -0.71 0.00 0.00 52.86 53.43 3kq4 s ASN 1070Cb -0.08 -2.09 0.00 0.00 0.41 0.00 0.00 41.25 39.49 3kq4 s ASN 1070CO 0.51 -0.13 0.00 0.59 -1.51 0.00 0.00 177.10 176.56 3kq4 n ASN 1071N -0.78 -4.31 -4.79 -1.22 4.13 -0.97 -4.92 115.26 102.40 3kq4 n ASN 1071Ca -0.03 0.29 -0.36 0.00 1.68 0.00 0.00 54.58 56.15 3kq4 n ASN 1071Cb 0.54 -3.54 -0.06 0.00 -1.54 0.00 0.00 39.78 35.18 3kq4 n ASN 1071CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 3kq4 s TRP 1072N -1.91 3.53 0.10 3.10 -0.11 -1.21 -4.84 118.94 117.60 3kq4 s TRP 1072Ca 0.00 1.72 0.05 0.00 1.22 0.00 0.00 56.10 59.10 3kq4 s TRP 1072Cb 0.00 -2.98 -0.03 0.00 -1.50 0.00 0.00 33.47 28.96 3kq4 s TRP 1072CO 0.00 -0.06 -0.13 -2.00 -4.62 0.00 0.00 176.95 170.13 3kq4 s GLU 1073N -2.29 0.93 -0.29 5.86 2.12 -1.26 -0.24 118.70 123.53 3kq4 s GLU 1073Ca 0.53 -1.14 -0.16 0.00 0.36 0.00 0.00 54.97 54.56 3kq4 s GLU 1073Cb -0.19 -0.81 0.13 0.00 0.26 0.00 0.00 34.13 33.53 3kq4 s GLU 1073CO 0.24 0.16 0.91 0.00 -0.54 0.00 0.00 175.26 176.03 3kq4 s ILE 1075N 1.45 2.74 -0.21 0.00 1.01 -1.13 -0.47 121.20 124.59 3kq4 s ILE 1075Ca -0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 60.65 59.26 3kq4 s ILE 1075Cb -0.04 -2.16 0.07 0.00 0.01 0.00 0.00 42.46 40.34 3kq4 s ILE 1075CO -0.16 0.30 0.08 -0.31 0.00 0.00 0.00 174.94 174.85 3kq4 s TYR 1076N -0.95 0.65 0.11 3.97 2.02 0.95 -2.19 117.35 121.91 3kq4 s TYR 1076Ca 0.15 -0.72 -0.12 0.00 -0.37 0.00 0.00 57.07 56.01 3kq4 s TYR 1076Cb -0.10 -0.93 -0.06 0.00 -0.40 0.00 0.00 41.96 40.46 3kq4 s TYR 1076CO 0.06 -0.63 0.47 1.03 -1.57 0.00 0.00 175.55 174.91 3kq4 s ARG 1077N 1.99 3.85 -0.07 -0.62 0.52 -1.14 -0.23 118.95 123.24 3kq4 s ARG 1077Ca 0.03 0.31 -0.03 0.00 -0.52 0.00 0.00 55.73 55.52 3kq4 s ARG 1077Cb -0.17 -2.96 0.04 0.00 0.52 0.00 0.00 34.95 32.39 3kq4 s ARG 1077CO -0.14 0.52 0.10 0.96 0.02 0.00 0.00 175.30 176.75 3kq4 s ILE 1078N -1.44 -0.16 0.32 1.52 -5.25 0.27 -1.96 121.20 114.50 3kq4 s ILE 1078Ca 0.36 0.31 0.08 0.00 -0.99 0.00 0.00 60.65 60.40 3kq4 s ILE 1078Cb -0.14 -0.26 -0.03 0.00 2.95 0.00 0.00 42.46 44.97 3kq4 s ILE 1078CO 0.19 0.10 0.25 -0.89 -1.79 0.00 0.00 174.94 172.80 3kq4 s THR 1079N 2.21 3.60 0.00 8.37 2.01 -0.73 -0.95 115.64 130.15 3kq4 s THR 1079Ca 0.04 -1.43 0.00 0.00 0.31 0.00 0.00 61.69 60.61 3kq4 s THR 1079Cb -0.13 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3kq4 s THR 1079CO -0.05 -0.21 0.00 1.33 -0.69 0.00 0.00 174.62 175.01 3kq4 n VAL 1080N -1.30 0.00 -1.86 3.82 0.24 -0.46 -4.18 118.33 114.59 3kq4 n VAL 1080Ca -0.03 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.86 3kq4 n VAL 1080Cb 0.60 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.96 3kq4 n VAL 1080CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3kq4 s ARG 1081N -0.34 4.16 0.54 7.34 0.52 -1.26 -4.91 118.95 125.00 3kq4 s ARG 1081Ca 0.00 2.50 0.27 0.00 -0.52 0.00 0.00 55.73 57.98 3kq4 s ARG 1081Cb 0.00 -3.01 1.52 0.00 0.52 0.00 0.00 34.95 33.98 3kq4 s ARG 1081CO 0.00 -0.51 2.12 1.15 0.02 0.00 0.00 175.30 178.08 3kq4 h THR 1082N 3.15 0.60 0.72 0.02 2.02 -2.00 -2.63 112.91 114.79 3kq4 h THR 1082Ca -0.49 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.27 3kq4 h THR 1082Cb 1.23 1.24 0.01 0.00 -1.74 0.00 0.00 68.15 68.89 3kq4 h THR 1082CO 0.70 0.09 -0.34 1.23 0.37 0.00 0.00 175.52 177.56 3kq4 h GLY 1083N 0.57 -1.00 -0.89 2.16 0.00 -1.91 -3.46 103.07 98.55 3kq4 h GLY 1083Ca -0.00 0.37 -0.42 0.00 0.00 0.00 0.00 47.33 47.28 3kq4 h GLY 1083CO 0.01 -0.36 0.18 1.20 0.00 0.00 0.00 176.54 177.56 3kq4 s GLN 1084N -4.89 -0.79 0.17 4.80 1.11 -0.99 -3.54 119.66 115.53 3kq4 s GLN 1084Ca -0.14 -0.04 0.08 0.00 0.01 0.00 0.00 55.36 55.26 3kq4 s GLN 1084Cb 0.01 -1.64 -0.04 0.00 -1.01 0.00 0.00 33.01 30.33 3kq4 s GLN 1084CO 0.42 -3.43 -0.03 -0.51 0.01 0.00 0.00 175.29 171.75 3kq4 s LEU 1085N -6.75 3.20 0.01 2.90 1.43 -1.24 -3.86 118.68 114.38 3kq4 s LEU 1085Ca 0.70 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 53.20 3kq4 s LEU 1085Cb -0.10 -1.87 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 3kq4 s LEU 1085CO 0.56 0.10 0.44 -0.63 0.23 0.00 0.00 176.35 177.04 3kq4 s ILE 1086N -1.72 4.98 -0.28 -0.59 1.09 -1.24 -3.63 121.20 119.81 3kq4 s ILE 1086Ca 0.27 0.91 -0.02 0.00 -1.10 0.00 0.00 60.65 60.70 3kq4 s ILE 1086Cb -0.09 -3.75 0.09 0.00 -1.06 0.00 0.00 42.46 37.65 3kq4 s ILE 1086CO 0.17 0.57 0.09 0.00 -0.10 0.00 0.00 174.94 175.67 3kq4 s ALA 1087N -1.03 1.23 -0.19 9.38 0.00 -1.13 -1.06 121.76 128.96 3kq4 s ALA 1087Ca 0.25 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 3kq4 s ALA 1087Cb -0.17 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 3kq4 s ALA 1087CO 0.14 -1.53 0.19 0.54 0.00 0.00 0.00 175.76 175.10 3kq4 s VAL 1088N 1.77 5.37 0.07 0.00 0.11 0.28 -2.39 120.40 125.61 3kq4 s VAL 1088Ca 0.07 0.32 0.05 0.00 -2.93 0.00 0.00 61.98 59.49 3kq4 s VAL 1088Cb -0.17 -3.53 -0.04 0.00 -1.53 0.00 0.00 36.38 31.11 3kq4 s VAL 1088CO -0.23 0.42 -0.07 -1.00 -3.33 0.00 0.00 175.10 170.89 3kq4 s HIS 1089N 0.43 2.83 -0.12 1.54 3.76 -0.17 -0.76 115.29 122.82 3kq4 s HIS 1089Ca 0.11 -0.10 -0.03 0.00 -0.15 0.00 0.00 55.06 54.89 3kq4 s HIS 1089Cb -0.12 -1.51 -0.03 0.00 1.11 0.00 0.00 32.58 32.03 3kq4 s HIS 1089CO 0.00 0.42 0.00 -0.06 -0.85 0.00 0.00 174.74 174.26 3kq4 s PHE 1090N -1.17 3.15 -0.19 1.40 0.08 -1.26 -1.27 117.98 118.72 3kq4 s PHE 1090Ca 0.21 0.07 -0.16 0.00 0.12 0.00 0.00 56.93 57.17 3kq4 s PHE 1090Cb -0.11 -1.87 -0.07 0.00 -0.57 0.00 0.00 43.02 40.40 3kq4 s PHE 1090CO 0.13 0.31 -0.29 2.41 -0.10 0.00 0.00 175.22 177.68 3kq4 n THR 1091N 2.66 1.49 -4.53 0.64 -1.04 -0.20 -4.99 114.28 108.30 3kq4 n THR 1091Ca -0.18 0.08 -0.31 0.00 -2.04 0.00 0.00 64.05 61.60 3kq4 n THR 1091Cb 0.53 -2.29 -0.12 0.00 -1.82 0.00 0.00 70.33 66.64 3kq4 n THR 1091CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3kq4 s ASN 1092N -6.12 4.12 -0.34 8.00 0.01 -0.83 -4.94 114.94 114.84 3kq4 s ASN 1092Ca -0.27 -0.35 0.00 0.00 -0.71 0.00 0.00 52.86 51.53 3kq4 s ASN 1092Cb 0.05 -0.77 0.19 0.00 0.41 0.00 0.00 41.25 41.13 3kq4 s ASN 1092CO 0.40 0.25 0.78 0.12 -1.51 0.00 0.00 177.10 177.14 3kq4 s PHE 1093N -1.00 -1.25 -0.17 2.20 5.99 -1.24 -1.37 117.98 121.13 3kq4 s PHE 1093Ca 0.16 0.46 -0.02 0.00 0.00 0.00 0.00 56.93 57.54 3kq4 s PHE 1093Cb -0.11 0.22 0.05 0.00 0.00 0.00 0.00 43.02 43.19 3kq4 s PHE 1093CO 0.07 -0.79 0.01 0.45 -0.00 0.00 0.00 175.22 174.96 3kq4 s SER 1094N 2.38 2.79 0.13 6.13 0.15 -0.68 -4.32 113.70 120.28 3kq4 s SER 1094Ca 0.16 -0.72 0.05 0.00 0.70 0.00 0.00 55.95 56.15 3kq4 s SER 1094Cb -0.04 -0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 63.54 3kq4 s SER 1094CO -0.17 -0.26 -0.12 -0.76 1.20 0.00 0.00 173.24 173.12 3kq4 s LEU 1095N 1.79 2.45 0.43 3.45 1.43 0.30 -1.96 118.68 126.58 3kq4 s LEU 1095Ca -0.00 -0.88 -0.23 0.00 -1.03 0.00 0.00 54.13 51.99 3kq4 s LEU 1095Cb -0.16 -0.47 -0.11 0.00 0.03 0.00 0.00 46.19 45.47 3kq4 s LEU 1095CO -0.07 -0.21 0.73 1.21 0.23 0.00 0.00 176.35 178.23 3kq4 n GLU 1096N 0.27 0.84 -1.37 1.70 2.13 -1.26 -2.71 120.64 120.24 3kq4 n GLU 1096Ca -0.14 0.31 -0.30 0.00 0.66 0.00 0.00 57.16 57.69 3kq4 n GLU 1096Cb 0.58 -1.73 0.10 0.00 0.27 0.00 0.00 31.44 30.67 3kq4 n GLU 1096CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3kq4 s GLU 1097N -1.81 1.90 -0.11 5.31 0.41 -1.26 -2.05 118.70 121.09 3kq4 s GLU 1097Ca 0.64 0.84 -0.20 0.00 -0.41 0.00 0.00 54.97 55.84 3kq4 s GLU 1097Cb -0.57 -1.88 -0.04 0.00 -1.78 0.00 0.00 34.13 29.85 3kq4 s GLU 1097CO 0.57 -1.80 0.56 0.00 -0.49 0.00 0.00 175.26 174.10 3kq4 s ALA 1098N -3.02 3.44 -0.47 5.21 0.00 -1.26 -4.26 121.76 121.39 3kq4 s ALA 1098Ca 0.61 -0.09 -0.28 0.00 0.00 0.00 0.00 51.96 52.20 3kq4 s ALA 1098Cb -0.16 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.18 3kq4 s ALA 1098CO 0.56 -0.09 1.55 0.42 0.00 0.00 0.00 175.76 178.20 3kq4 s ILE 1099N 0.80 3.71 0.00 0.00 -1.09 -1.02 -4.87 121.20 118.73 3kq4 s ILE 1099Ca 0.30 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 3kq4 s ILE 1099Cb -0.16 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 3kq4 s ILE 1099CO 0.13 -0.85 0.00 0.61 -1.23 0.00 0.00 174.94 173.60 3kq4 n GLY 1100N 5.29 2.80 0.97 6.18 0.00 -1.26 0.30 105.19 119.46 3kq4 n GLY 1100Ca 0.17 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 46.00 3kq4 n GLY 1100CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kq4 n ASN 1101N 1.46 2.79 -4.82 1.61 3.02 -1.26 -4.86 115.26 113.20 3kq4 n ASN 1101Ca 0.00 -2.21 -0.38 0.00 -0.03 0.00 0.00 54.58 51.96 3kq4 n ASN 1101Cb 0.00 -0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.70 3kq4 n ASN 1101CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kq4 s TYR 1102N -1.66 3.77 -0.17 3.10 2.02 0.15 -5.07 117.35 119.48 3kq4 s TYR 1102Ca 0.29 1.12 -0.14 0.00 -0.37 0.00 0.00 57.07 57.97 3kq4 s TYR 1102Cb 0.18 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 3kq4 s TYR 1102CO 0.15 0.62 0.32 0.71 -1.57 0.00 0.00 175.55 175.78 3kq4 s TYR 1103N -1.09 3.44 -0.11 2.71 2.02 -1.26 -2.44 117.35 120.60 3kq4 s TYR 1103Ca 0.26 0.60 -0.03 0.00 -0.37 0.00 0.00 57.07 57.53 3kq4 s TYR 1103Cb -0.18 -2.39 -0.03 0.00 -0.40 0.00 0.00 41.96 38.96 3kq4 s TYR 1103CO 0.16 0.17 -0.02 0.95 -1.57 0.00 0.00 175.55 175.25 3kq4 s THR 1104N 0.68 4.13 0.11 -0.71 -4.23 -1.26 -4.94 115.64 109.43 3kq4 s THR 1104Ca 0.17 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 3kq4 s THR 1104Cb -0.13 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.94 3kq4 s THR 1104CO 0.05 0.56 0.00 0.47 -0.54 0.00 0.00 174.62 175.16 3kq4 n ASP 1105N 2.72 -4.63 -3.51 3.99 8.00 -1.26 -4.63 116.55 117.23 3kq4 n ASP 1105Ca -0.18 1.22 -0.11 0.00 0.71 0.00 0.00 54.79 56.43 3kq4 n ASP 1105Cb 0.53 -3.37 -0.03 0.00 -0.02 0.00 0.00 41.12 38.22 3kq4 n ASP 1105CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3kq4 s PHE 1106N -0.34 0.62 -0.29 1.24 -0.12 -1.07 -4.60 117.98 113.42 3kq4 s PHE 1106Ca 0.00 -0.98 -0.01 0.00 -0.05 0.00 0.00 56.93 55.90 3kq4 s PHE 1106Cb 0.00 0.18 0.09 0.00 -0.63 0.00 0.00 43.02 42.66 3kq4 s PHE 1106CO 0.00 -1.15 0.08 -1.17 -0.05 0.00 0.00 175.22 172.93 3kq4 s LEU 1107N -3.12 2.17 -0.17 -1.99 2.96 0.37 -2.98 118.68 115.93 3kq4 s LEU 1107Ca 0.25 -1.50 -0.29 0.00 -0.22 0.00 0.00 54.13 52.37 3kq4 s LEU 1107Cb -0.01 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.80 3kq4 s LEU 1107CO 0.14 -0.39 1.29 -0.70 -1.32 0.00 0.00 176.35 175.38 3kq4 s GLU 1108N 1.62 4.21 -0.23 1.98 2.12 0.73 -1.42 118.70 127.71 3kq4 s GLU 1108Ca 0.07 1.67 -0.03 0.00 0.36 0.00 0.00 54.97 57.04 3kq4 s GLU 1108Cb -0.17 -3.79 0.01 0.00 0.26 0.00 0.00 34.13 30.44 3kq4 s GLU 1108CO -0.21 -0.74 -0.05 0.42 -0.54 0.00 0.00 175.26 174.13 3kq4 s ILE 1109N 3.60 3.14 0.16 -3.70 1.01 0.61 -1.02 121.20 124.99 3kq4 s ILE 1109Ca 0.56 -0.72 0.07 0.00 0.00 0.00 0.00 60.65 60.56 3kq4 s ILE 1109Cb -0.22 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 3kq4 s ILE 1109CO 0.16 0.33 0.00 -0.13 0.00 0.00 0.00 174.94 175.30 3kq4 s ARG 1110N 1.41 2.44 0.20 2.79 0.52 0.82 0.23 118.95 127.37 3kq4 s ARG 1110Ca 0.04 -1.04 0.13 0.00 -0.52 0.00 0.00 55.73 54.33 3kq4 s ARG 1110Cb -0.15 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 3kq4 s ARG 1110CO -0.04 0.47 1.32 0.22 0.02 0.00 0.00 175.30 177.29 3kq4 h ASP 1111N 2.87 0.00 0.00 0.23 3.58 -0.34 -2.86 116.42 119.89 3kq4 h ASP 1111Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 3kq4 h ASP 1111Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 3kq4 h ASP 1111CO 0.58 0.67 0.00 0.61 -2.88 0.00 0.00 179.24 178.22 3kq4 n GLY 1112N 1.29 1.34 0.63 -0.78 0.00 -1.26 -4.58 105.19 101.83 3kq4 n GLY 1112Ca -0.00 -1.32 0.05 0.00 0.00 0.00 0.00 46.02 44.75 3kq4 n GLY 1112CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kq4 n GLY 1113N 5.00 2.87 3.16 -0.02 0.00 -1.26 -1.58 105.19 113.36 3kq4 n GLY 1113Ca 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 3kq4 n GLY 1113CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kq4 s TYR 1114N -1.52 0.35 -2.00 1.61 2.02 -1.26 -4.89 117.35 111.66 3kq4 s TYR 1114Ca 0.25 -0.83 0.13 0.00 -0.37 0.00 0.00 57.07 56.25 3kq4 s TYR 1114Cb 0.25 -0.22 0.77 0.00 -0.40 0.00 0.00 41.96 42.37 3kq4 s TYR 1114CO -0.05 -0.49 1.20 -0.85 -1.57 0.00 0.00 175.55 173.80 3kq4 n GLU 1115N -0.00 0.42 0.00 -0.62 0.28 -1.26 -2.22 120.64 117.23 3kq4 n GLU 1115Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 3kq4 n GLU 1115Cb 0.62 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 32.01 3kq4 n GLU 1115CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3kq4 n LYS 1116N -0.98 0.27 -1.31 3.44 5.02 -1.26 -5.06 118.16 118.28 3kq4 n LYS 1116Ca 0.10 -0.47 -0.35 0.00 -2.02 0.00 0.00 58.31 55.57 3kq4 n LYS 1116Cb 0.04 -0.67 0.10 0.00 -0.02 0.00 0.00 35.03 34.48 3kq4 n LYS 1116CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3kq4 n SER 1117N -0.08 0.73 -4.34 4.39 7.64 -0.94 -4.90 113.62 116.12 3kq4 n SER 1117Ca 0.00 0.65 -0.38 0.00 1.01 0.00 0.00 58.87 60.15 3kq4 n SER 1117Cb 0.28 -1.45 0.03 0.00 -1.01 0.00 0.00 64.21 62.06 3kq4 n SER 1117CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3kq4 n PRO 1118N -2.27 0.22 -3.20 1.43 -0.02 -1.26 -4.29 135.00 125.61 3kq4 n PRO 1118Ca 0.13 0.09 -0.44 0.00 -2.02 0.00 0.00 63.50 61.26 3kq4 n PRO 1118Cb 0.50 -1.35 -0.06 0.00 -0.02 0.00 0.00 33.50 32.57 3kq4 n PRO 1118CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kq4 s LEU 1119N 3.04 5.21 0.43 2.45 2.96 -1.26 0.29 118.68 131.80 3kq4 s LEU 1119Ca 0.61 -1.11 0.13 0.00 -0.22 0.00 0.00 54.13 53.55 3kq4 s LEU 1119Cb -0.45 -2.36 0.95 0.00 0.50 0.00 0.00 46.19 44.83 3kq4 s LEU 1119CO 0.62 -0.87 1.98 -0.07 -1.32 0.00 0.00 176.35 176.68 3kq4 h LEU 1120N 9.52 0.06 0.00 -0.68 3.38 -0.53 -3.48 115.31 123.58 3kq4 h LEU 1120Ca -0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3kq4 h LEU 1120Cb 1.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3kq4 h LEU 1120CO 0.97 0.23 0.00 0.61 0.09 0.00 0.00 178.44 180.34 3kq4 n GLY 1121N -1.00 3.54 3.49 0.83 0.00 -1.07 -5.00 105.19 105.99 3kq4 n GLY 1121Ca -0.02 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 3kq4 n GLY 1121CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kq4 s ILE 1122N -2.00 3.20 -0.02 -0.61 1.01 -1.26 -0.29 121.20 121.23 3kq4 s ILE 1122Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.00 3kq4 s ILE 1122Cb 0.00 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.20 3kq4 s ILE 1122CO 0.00 0.59 -0.08 -0.36 0.00 0.00 0.00 174.94 175.09 3kq4 s PHE 1123N -0.69 0.84 0.00 3.97 0.08 -0.50 -4.90 117.98 116.78 3kq4 s PHE 1123Ca 0.11 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.95 3kq4 s PHE 1123Cb -0.11 -0.61 -0.00 0.00 -0.57 0.00 0.00 43.02 41.73 3kq4 s PHE 1123CO 0.01 -0.09 0.00 2.48 -0.10 0.00 0.00 175.22 177.52 3kq4 n TYR 1124N 3.30 -0.34 -4.55 0.36 0.18 -1.26 0.14 117.16 114.99 3kq4 n TYR 1124Ca -0.18 -0.02 0.00 0.00 1.88 0.00 0.00 57.90 59.58 3kq4 n TYR 1124Cb 0.55 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.51 3kq4 n TYR 1124CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3kq4 n GLY 1125N -0.00 2.82 0.00 -7.48 0.00 -0.87 -4.32 105.19 95.34 3kq4 n GLY 1125Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3kq4 n GLY 1125CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kq4 n SER 1126N 0.66 0.63 -4.80 1.61 7.64 -1.26 0.11 113.62 118.21 3kq4 n SER 1126Ca 0.00 -0.93 -0.39 0.00 1.01 0.00 0.00 58.87 58.56 3kq4 n SER 1126Cb 0.00 0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.21 3kq4 n SER 1126CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3kq4 s ASN 1127N -0.07 7.20 -0.16 6.43 -0.87 -1.26 -4.70 114.94 121.50 3kq4 s ASN 1127Ca 0.00 1.42 -0.29 0.00 -1.57 0.00 0.00 52.86 52.42 3kq4 s ASN 1127Cb 0.00 -2.42 -0.05 0.00 -0.02 0.00 0.00 41.25 38.77 3kq4 s ASN 1127CO 0.00 0.25 1.82 -0.76 -2.57 0.00 0.00 177.10 175.84 3kq4 s LEU 1128N -1.11 3.92 0.62 0.60 1.43 -1.26 -4.94 118.68 117.94 3kq4 s LEU 1128Ca 0.32 1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 55.16 3kq4 s LEU 1128Cb -0.21 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 3kq4 s LEU 1128CO 0.22 -1.36 0.48 -2.65 0.23 0.00 0.00 176.35 173.27 3kq4 n PRO 1129N 7.86 0.42 -0.54 1.29 -0.02 -1.26 -4.95 135.00 137.80 3kq4 n PRO 1129Ca 0.21 0.17 -0.30 0.00 -2.02 0.00 0.00 63.50 61.56 3kq4 n PRO 1129Cb 0.44 -1.71 0.28 0.00 -0.02 0.00 0.00 33.50 32.49 3kq4 n PRO 1129CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kq4 s PRO 1130N -2.27 -2.56 0.10 0.52 0.02 -1.26 -4.67 135.00 124.89 3kq4 s PRO 1130Ca 0.67 0.09 -0.31 0.00 0.02 0.00 0.00 61.00 61.47 3kq4 s PRO 1130Cb -0.41 -1.43 -0.07 0.00 0.02 0.00 0.00 34.50 32.61 3kq4 s PRO 1130CO 0.56 -4.62 1.31 0.99 -0.33 0.00 0.00 177.00 174.91 3kq4 s THR 1131N -2.45 3.58 -0.07 0.99 2.01 -1.26 -4.76 115.64 113.68 3kq4 s THR 1131Ca 0.69 1.15 -0.11 0.00 0.31 0.00 0.00 61.69 63.73 3kq4 s THR 1131Cb -0.12 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 3kq4 s THR 1131CO 0.58 0.10 0.27 -0.63 -0.69 0.00 0.00 174.62 174.25 3kq4 s ILE 1132N 0.97 5.27 -0.04 1.82 -1.09 0.06 -4.93 121.20 123.27 3kq4 s ILE 1132Ca 0.61 0.52 0.03 0.00 -2.23 0.00 0.00 60.65 59.58 3kq4 s ILE 1132Cb -0.34 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 3kq4 s ILE 1132CO 0.31 0.59 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.86 3kq4 s ILE 1133N -0.97 1.00 0.00 2.92 -1.09 -1.26 -0.55 121.20 121.25 3kq4 s ILE 1133Ca 0.19 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 3kq4 s ILE 1133Cb -0.14 -0.89 0.00 0.00 -1.58 0.00 0.00 42.46 39.85 3kq4 s ILE 1133CO 0.08 0.31 0.00 -1.54 -1.23 0.00 0.00 174.94 172.56 3kq4 n SER 1134N 3.37 0.00 -0.09 3.58 3.41 -0.23 -5.00 113.62 118.66 3kq4 n SER 1134Ca -0.19 -0.82 0.01 0.00 -0.26 0.00 0.00 58.87 57.61 3kq4 n SER 1134Cb 0.53 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.49 3kq4 n SER 1134CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kq4 n HIS 1135N -1.38 0.00 -3.98 7.33 8.25 -1.26 -4.80 115.22 119.37 3kq4 n HIS 1135Ca 0.00 -0.18 -0.13 0.00 -0.26 0.00 0.00 57.72 57.15 3kq4 n HIS 1135Cb 0.00 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.06 3kq4 n HIS 1135CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3kq4 n SER 1136N -0.22 -1.39 -1.14 0.41 2.88 -1.26 -1.91 113.62 111.00 3kq4 n SER 1136Ca 0.01 -2.72 0.12 0.00 -1.33 0.00 0.00 58.87 54.94 3kq4 n SER 1136Cb 0.49 2.53 0.25 0.00 -0.75 0.00 0.00 64.21 66.73 3kq4 n SER 1136CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3kq4 n ASN 1137N -1.63 3.39 -4.47 -3.46 6.94 -1.25 -3.71 115.26 111.07 3kq4 n ASN 1137Ca -0.01 -1.98 -0.32 0.00 -0.02 0.00 0.00 54.58 52.26 3kq4 n ASN 1137Cb 0.55 -0.29 -0.13 0.00 -2.36 0.00 0.00 39.78 37.55 3kq4 n ASN 1137CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3kq4 s LYS 1138N -1.42 2.31 0.02 -3.83 1.02 -1.26 -1.35 119.74 115.23 3kq4 s LYS 1138Ca 0.40 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.58 3kq4 s LYS 1138Cb 0.23 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 3kq4 s LYS 1138CO 0.31 0.58 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.76 3kq4 s LEU 1139N -1.09 2.16 -0.05 3.17 1.43 -0.12 -4.23 118.68 119.95 3kq4 s LEU 1139Ca 0.13 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3kq4 s LEU 1139Cb -0.11 -0.16 0.02 0.00 0.03 0.00 0.00 46.19 45.97 3kq4 s LEU 1139CO 0.03 -0.11 -0.06 0.86 0.23 0.00 0.00 176.35 177.30 3kq4 s TRP 1140N -0.88 0.88 0.03 0.29 -0.00 -1.06 -0.57 118.94 117.64 3kq4 s TRP 1140Ca -0.06 -0.27 0.03 0.00 -0.00 0.00 0.00 56.10 55.80 3kq4 s TRP 1140Cb -0.07 -0.75 -0.02 0.00 -0.00 0.00 0.00 33.47 32.64 3kq4 s TRP 1140CO 0.00 -0.21 -0.10 -0.51 -0.00 0.00 0.00 176.95 176.13 3kq4 s LEU 1141N 0.90 2.17 -0.03 5.86 1.43 0.67 -0.12 118.68 129.56 3kq4 s LEU 1141Ca -0.11 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3kq4 s LEU 1141Cb -0.15 -0.37 0.03 0.00 0.03 0.00 0.00 46.19 45.73 3kq4 s LEU 1141CO 0.01 -0.04 0.05 -0.75 0.23 0.00 0.00 176.35 175.84 3kq4 s LYS 1142N -1.08 0.00 -0.28 1.70 2.20 -0.19 -0.04 119.74 122.07 3kq4 s LYS 1142Ca -0.02 0.19 -0.00 0.00 -0.36 0.00 0.00 55.97 55.78 3kq4 s LYS 1142Cb -0.07 -0.18 0.05 0.00 -1.51 0.00 0.00 37.83 36.12 3kq4 s LYS 1142CO 0.01 -0.13 -0.05 0.12 -0.36 0.00 0.00 175.35 174.93 3kq4 s PHE 1143N 0.86 3.23 -0.03 4.03 5.36 0.38 -0.19 117.98 131.62 3kq4 s PHE 1143Ca -0.07 -1.98 -0.01 0.00 -0.96 0.00 0.00 56.93 53.91 3kq4 s PHE 1143Cb -0.10 -2.03 -0.04 0.00 -0.34 0.00 0.00 43.02 40.51 3kq4 s PHE 1143CO -0.03 -0.82 0.06 0.15 -1.46 0.00 0.00 175.22 173.12 3kq4 s LYS 1144N 1.21 3.03 0.01 10.12 -0.14 -1.16 -2.14 119.74 130.68 3kq4 s LYS 1144Ca -0.06 -0.46 0.04 0.00 -1.36 0.00 0.00 55.97 54.14 3kq4 s LYS 1144Cb -0.19 -2.84 -0.01 0.00 -1.68 0.00 0.00 37.83 33.10 3kq4 s LYS 1144CO -0.03 0.67 -0.13 -1.54 -0.76 0.00 0.00 175.35 173.56 3kq4 s SER 1145N -1.46 1.51 0.45 2.83 1.04 0.66 -2.58 113.70 116.14 3kq4 s SER 1145Ca 0.20 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.31 3kq4 s SER 1145Cb -0.12 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 65.92 3kq4 s SER 1145CO 0.10 0.10 0.37 -0.90 0.98 0.00 0.00 173.24 173.89 3kq4 n ASP 1146N 2.40 0.61 -0.11 7.02 3.85 -1.26 -2.28 116.55 126.77 3kq4 n ASP 1146Ca -0.16 -1.49 0.22 0.00 -0.71 0.00 0.00 54.79 52.65 3kq4 n ASP 1146Cb 0.55 -0.23 0.65 0.00 -1.35 0.00 0.00 41.12 40.74 3kq4 n ASP 1146CO 0.00 0.00 0.00 1.56 -1.01 0.00 0.00 177.20 177.75 3kq4 h GLN 1147N 0.00 0.11 -4.36 0.11 7.50 -1.97 -2.70 115.11 113.81 3kq4 h GLN 1147Ca -0.12 -0.01 -0.15 0.00 0.50 0.00 0.00 58.65 58.87 3kq4 h GLN 1147Cb 0.48 -0.02 -0.15 0.00 0.05 0.00 0.00 27.48 27.84 3kq4 h GLN 1147CO 0.14 0.07 -0.68 0.42 -1.50 0.00 0.00 178.83 177.28 3kq4 s ILE 1148N -5.11 0.34 0.02 2.54 -1.09 -1.26 -4.79 121.20 111.85 3kq4 s ILE 1148Ca -0.06 -1.85 0.00 0.00 -2.23 0.00 0.00 60.65 56.51 3kq4 s ILE 1148Cb 0.21 -1.58 0.00 0.00 -1.58 0.00 0.00 42.46 39.50 3kq4 s ILE 1148CO 0.76 -0.95 0.00 0.47 -1.23 0.00 0.00 174.94 173.99 3kq4 n ASP 1149N 0.06 -2.48 -4.05 3.58 9.92 -1.26 -5.01 116.55 117.31 3kq4 n ASP 1149Ca -0.13 0.09 -0.11 0.00 -0.53 0.00 0.00 54.79 54.11 3kq4 n ASP 1149Cb 0.61 -0.83 -0.11 0.00 -0.64 0.00 0.00 41.12 40.16 3kq4 n ASP 1149CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3kq4 s THR 1150N -0.28 0.40 0.00 -3.53 2.01 -1.26 -4.88 115.64 108.09 3kq4 s THR 1150Ca 0.00 -1.19 0.00 0.00 0.31 0.00 0.00 61.69 60.81 3kq4 s THR 1150Cb 0.00 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.81 3kq4 s THR 1150CO 0.00 -0.53 0.00 0.54 -0.69 0.00 0.00 174.62 173.94 3kq4 n ARG 1151N 1.21 0.00 0.12 4.92 5.12 -1.26 -4.95 116.66 121.81 3kq4 n ARG 1151Ca -0.21 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.52 3kq4 n ARG 1151Cb 0.56 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.71 3kq4 n ARG 1151CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3kq4 h SER 1152N 0.00 0.57 0.00 0.55 4.64 -1.80 -0.11 113.55 117.41 3kq4 h SER 1152Ca 0.00 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 3kq4 h SER 1152Cb 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 3kq4 h SER 1152CO 0.00 1.48 0.00 0.61 -0.87 0.00 0.00 176.83 178.05 3kq4 n GLY 1153N 1.60 0.42 3.21 -0.77 0.00 -0.83 -4.18 105.19 104.65 3kq4 n GLY 1153Ca -0.12 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 3kq4 n GLY 1153CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kq4 s PHE 1154N 0.00 1.10 -0.13 1.61 -0.12 -1.26 -1.69 117.98 117.49 3kq4 s PHE 1154Ca 0.00 -1.18 -0.07 0.00 -0.05 0.00 0.00 56.93 55.63 3kq4 s PHE 1154Cb 0.00 -0.61 0.05 0.00 -0.63 0.00 0.00 43.02 41.83 3kq4 s PHE 1154CO 0.00 -0.42 0.32 0.45 -0.05 0.00 0.00 175.22 175.52 3kq4 s SER 1155N -3.14 -0.37 0.10 1.98 0.15 -0.48 -1.09 113.70 110.86 3kq4 s SER 1155Ca 0.28 0.68 -0.09 0.00 0.70 0.00 0.00 55.95 57.52 3kq4 s SER 1155Cb 0.07 0.57 -0.00 0.00 -1.71 0.00 0.00 66.02 64.95 3kq4 s SER 1155CO 0.05 -0.17 0.21 0.00 1.20 0.00 0.00 173.24 174.53 3kq4 s ALA 1156N 1.23 -0.20 0.41 5.45 0.00 -0.45 -1.04 121.76 127.16 3kq4 s ALA 1156Ca -0.09 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.26 3kq4 s ALA 1156Cb -0.09 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 3kq4 s ALA 1156CO -0.10 -0.53 0.10 1.52 0.00 0.00 0.00 175.76 176.75 3kq4 s TYR 1157N -3.88 1.83 -0.03 0.00 -0.85 -0.40 -3.33 117.35 110.70 3kq4 s TYR 1157Ca 0.07 -1.18 -0.18 0.00 -0.52 0.00 0.00 57.07 55.26 3kq4 s TYR 1157Cb 0.05 -1.25 0.03 0.00 0.38 0.00 0.00 41.96 41.17 3kq4 s TYR 1157CO -0.09 -0.17 0.39 1.67 -1.52 0.00 0.00 175.55 175.83 3kq4 s TRP 1158N -3.17 -0.30 -0.22 -3.49 1.48 -1.26 -0.99 118.94 110.98 3kq4 s TRP 1158Ca 0.23 0.51 -0.07 0.00 -1.06 0.00 0.00 56.10 55.72 3kq4 s TRP 1158Cb 0.03 0.16 -0.03 0.00 -1.16 0.00 0.00 33.47 32.48 3kq4 s TRP 1158CO 0.13 -0.42 0.05 -0.51 -4.06 0.00 0.00 176.95 172.14 3kq4 s ASP 1159N -1.16 5.15 -1.01 -2.66 1.01 -1.01 -4.23 116.67 112.76 3kq4 s ASP 1159Ca -0.12 -0.15 -0.03 0.00 0.71 0.00 0.00 52.55 52.96 3kq4 s ASP 1159Cb -0.04 -1.91 0.23 0.00 1.01 0.00 0.00 42.92 42.21 3kq4 s ASP 1159CO 0.05 0.03 2.16 0.61 0.21 0.00 0.00 175.17 178.23 3kq4 n GLY 1160N 4.49 5.52 2.84 0.21 0.00 -1.26 -2.84 105.19 114.15 3kq4 n GLY 1160Ca -0.16 -2.31 -0.20 0.00 0.00 0.00 0.00 46.02 43.35 3kq4 n GLY 1160CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kq4 s SER 1161N -0.55 0.98 0.00 1.61 0.01 -1.24 -4.84 113.70 109.67 3kq4 s SER 1161Ca 0.48 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.66 3kq4 s SER 1161Cb 0.26 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.11 3kq4 s SER 1161CO -0.18 -0.11 0.00 -0.24 0.41 0.00 0.00 173.24 173.12 3kq4 n SER 1162N 4.38 0.00 0.00 2.44 2.88 -1.26 -4.62 113.62 117.44 3kq4 n SER 1162Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 3kq4 n SER 1162Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 3kq4 n SER 1162CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3kq4 n THR 1163N 0.00 0.00 -1.48 2.46 -1.04 -1.26 -4.88 114.28 108.07 3kq4 n THR 1163Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 3kq4 n THR 1163Cb 0.00 -0.33 0.11 0.00 -1.82 0.00 0.00 70.33 68.29 3kq4 n THR 1163CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3kq4 s GLY 1164N -2.00 1.61 -0.16 3.41 0.00 -1.23 -4.26 107.32 104.70 3kq4 s GLY 1164Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 44.72 44.18 3kq4 s GLY 1164CO 0.00 0.22 0.86 0.00 0.00 0.00 0.00 173.10 174.18 3kq4 n GLY 1166N 1.27 -1.93 0.00 0.00 0.00 -0.80 -2.65 105.19 101.07 3kq4 n GLY 1166Ca -0.14 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3kq4 n GLY 1166CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kq4 n GLY 1167N -0.02 0.89 0.44 -0.02 0.00 -0.72 -4.58 105.19 101.18 3kq4 n GLY 1167Ca 0.00 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.29 3kq4 n GLY 1167CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kq4 n ASN 1168N -0.31 1.40 -1.20 1.61 3.02 -1.26 -1.67 115.26 116.86 3kq4 n ASN 1168Ca 0.00 -1.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 3kq4 n ASN 1168Cb 0.00 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 3kq4 n ASN 1168CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kq4 n LEU 1169N 0.05 -1.31 -0.24 3.41 4.32 -1.23 -4.30 117.00 117.71 3kq4 n LEU 1169Ca 0.18 0.21 0.08 0.00 -0.02 0.00 0.00 56.01 56.46 3kq4 n LEU 1169Cb 0.35 -0.50 -0.03 0.00 -1.62 0.00 0.00 43.42 41.62 3kq4 n LEU 1169CO 0.17 -0.66 0.16 0.41 -1.22 0.00 0.00 177.39 176.26 3kq4 n THR 1170N 1.09 0.00 -3.13 -5.08 -1.04 -1.26 -3.08 114.28 101.78 3kq4 n THR 1170Ca 0.00 -0.27 -0.36 0.00 -2.04 0.00 0.00 64.05 61.38 3kq4 n THR 1170Cb 0.09 1.13 -0.06 0.00 -1.82 0.00 0.00 70.33 69.66 3kq4 n THR 1170CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3kq4 s THR 1171N -2.07 4.60 -0.96 12.58 -4.23 -1.26 -4.33 115.64 119.97 3kq4 s THR 1171Ca 0.11 1.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.87 3kq4 s THR 1171Cb 0.12 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 70.10 3kq4 s THR 1171CO 0.48 0.25 0.75 -1.20 -0.54 0.00 0.00 174.62 174.35 3kq4 n SER 1172N 0.83 0.00 -3.61 3.99 7.64 -1.26 -4.55 113.62 116.67 3kq4 n SER 1172Ca -0.03 0.28 -0.07 0.00 1.01 0.00 0.00 58.87 60.06 3kq4 n SER 1172Cb 0.51 -0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 63.38 3kq4 n SER 1172CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kq4 s SER 1173N -2.50 -0.23 0.00 6.43 1.04 -1.26 -2.03 113.70 115.15 3kq4 s SER 1173Ca 0.00 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.70 3kq4 s SER 1173Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3kq4 s SER 1173CO 0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 3kq4 n GLY 1174N 0.74 0.66 3.40 7.32 0.00 -0.98 -5.04 105.19 111.30 3kq4 n GLY 1174Ca -0.06 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 3kq4 n GLY 1174CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kq4 s THR 1175N -2.01 -0.00 0.27 2.61 2.01 -1.26 -2.26 115.64 115.00 3kq4 s THR 1175Ca 0.00 0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.01 3kq4 s THR 1175Cb 0.00 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 3kq4 s THR 1175CO 0.00 0.00 0.28 0.72 -0.69 0.00 0.00 174.62 174.93 3kq4 s PHE 1176N 0.46 1.23 -0.04 4.92 -0.71 -1.08 -4.87 117.98 117.90 3kq4 s PHE 1176Ca -0.02 -1.38 -0.00 0.00 -1.04 0.00 0.00 56.93 54.49 3kq4 s PHE 1176Cb -0.04 -0.44 0.03 0.00 -1.21 0.00 0.00 43.02 41.36 3kq4 s PHE 1176CO -0.02 -0.84 0.01 0.42 -1.34 0.00 0.00 175.22 173.45 3kq4 s ILE 1177N -3.73 0.18 0.13 -4.49 -1.09 -1.26 -1.90 121.20 109.04 3kq4 s ILE 1177Ca 0.36 0.15 -0.31 0.00 -2.23 0.00 0.00 60.65 58.62 3kq4 s ILE 1177Cb 0.03 -0.32 -0.10 0.00 -1.58 0.00 0.00 42.46 40.49 3kq4 s ILE 1177CO 0.18 0.18 1.79 -0.94 -1.23 0.00 0.00 174.94 174.92 3kq4 s SER 1178N 1.43 6.44 0.52 3.58 1.04 -1.15 -4.90 113.70 120.66 3kq4 s SER 1178Ca -0.04 2.74 -0.11 0.00 0.48 0.00 0.00 55.95 59.02 3kq4 s SER 1178Cb -0.13 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.33 3kq4 s SER 1178CO -0.03 -0.98 -0.36 -2.65 0.98 0.00 0.00 173.24 170.20 3kq4 n PRO 1179N 5.48 0.00 0.00 4.02 -0.02 -1.26 -2.02 135.00 141.20 3kq4 n PRO 1179Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3kq4 n PRO 1179Cb 0.38 -0.63 0.00 0.00 -0.02 0.00 0.00 33.50 33.23 3kq4 n PRO 1179CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kq4 n ASN 1180N 1.99 0.00 -4.35 2.55 3.02 -1.26 -4.19 115.26 113.02 3kq4 n ASN 1180Ca 0.01 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.10 3kq4 n ASN 1180Cb 0.33 -0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 3kq4 n ASN 1180CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kq4 n TYR 1181N -0.88 -0.99 1.19 3.10 9.36 -0.85 -0.06 117.16 128.03 3kq4 n TYR 1181Ca 0.00 0.86 0.07 0.00 3.32 0.00 0.00 57.90 62.15 3kq4 n TYR 1181Cb 0.00 -1.89 0.42 0.00 -0.63 0.00 0.00 39.34 37.24 3kq4 n TYR 1181CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3kq4 n PRO 1182N 1.10 0.60 -2.56 2.98 -0.05 -1.26 -4.73 135.00 131.07 3kq4 n PRO 1182Ca 0.16 0.00 -0.37 0.00 -0.05 0.00 0.00 63.50 63.23 3kq4 n PRO 1182Cb 0.29 -1.37 -0.04 0.00 -0.05 0.00 0.00 33.50 32.33 3kq4 n PRO 1182CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 175.50 173.81 3kq4 s MET 1183N -2.00 4.33 0.26 0.54 -1.94 0.91 -4.30 119.30 117.10 3kq4 s MET 1183Ca 0.21 1.55 -0.26 0.00 -1.71 0.00 0.00 55.69 55.48 3kq4 s MET 1183Cb 0.10 -2.73 -0.16 0.00 2.01 0.00 0.00 34.83 34.04 3kq4 s MET 1183CO 0.16 0.00 0.48 -2.30 -0.01 0.00 0.00 175.02 173.36 3kq4 n PRO 1184N 0.32 0.15 -2.06 2.03 -0.02 -1.23 -4.44 135.00 129.76 3kq4 n PRO 1184Ca 0.03 0.05 -0.29 0.00 -2.02 0.00 0.00 63.50 61.28 3kq4 n PRO 1184Cb 0.49 -1.11 0.19 0.00 -0.02 0.00 0.00 33.50 33.05 3kq4 n PRO 1184CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3kq4 s TYR 1185N -1.17 1.29 0.60 6.00 -0.85 -1.19 -4.73 117.35 117.31 3kq4 s TYR 1185Ca 0.63 0.12 -0.10 0.00 -0.52 0.00 0.00 57.07 57.19 3kq4 s TYR 1185Cb -0.83 -4.04 -0.03 0.00 0.38 0.00 0.00 41.96 37.43 3kq4 s TYR 1185CO 0.58 -2.68 0.99 0.71 -1.52 0.00 0.00 175.55 173.63 3kq4 s TYR 1186N -3.83 3.59 0.27 -3.49 2.02 -1.26 -4.92 117.35 109.73 3kq4 s TYR 1186Ca 0.75 1.18 0.06 0.00 -0.37 0.00 0.00 57.07 58.69 3kq4 s TYR 1186Cb -0.03 -2.67 -0.02 0.00 -0.40 0.00 0.00 41.96 38.84 3kq4 s TYR 1186CO 0.52 -0.66 0.38 -3.38 -1.57 0.00 0.00 175.55 170.84 3kq4 s HIS 1187N -3.11 3.32 -1.40 2.71 -3.43 -1.26 -4.54 115.29 107.58 3kq4 s HIS 1187Ca 0.54 -0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.71 3kq4 s HIS 1187Cb -0.11 -1.68 0.00 0.00 -1.43 0.00 0.00 32.58 29.37 3kq4 s HIS 1187CO 0.52 0.32 0.00 -1.13 -2.00 0.00 0.00 174.74 172.45 3kq4 n SER 1188N -1.45 -3.84 -4.82 7.38 3.41 -0.21 -4.85 113.62 109.25 3kq4 n SER 1188Ca -0.06 0.29 -0.29 0.00 -0.26 0.00 0.00 58.87 58.55 3kq4 n SER 1188Cb 0.57 -3.46 -0.05 0.00 -0.26 0.00 0.00 64.21 61.01 3kq4 n SER 1188CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kq4 s SER 1189N -2.14 5.69 -0.29 4.04 1.04 -1.21 -4.86 113.70 115.98 3kq4 s SER 1189Ca 0.00 -0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.44 3kq4 s SER 1189Cb 0.00 -1.56 0.08 0.00 0.10 0.00 0.00 66.02 64.64 3kq4 s SER 1189CO 0.00 0.12 0.01 -1.61 0.98 0.00 0.00 173.24 172.75 3kq4 s GLU 1190N -2.74 1.41 0.18 4.02 2.02 -1.26 -1.55 118.70 120.79 3kq4 s GLU 1190Ca 0.31 -1.36 -0.01 0.00 0.02 0.00 0.00 54.97 53.93 3kq4 s GLU 1190Cb -0.11 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 3kq4 s GLU 1190CO 0.24 -0.81 0.37 0.00 0.02 0.00 0.00 175.26 175.08 3kq4 s TYR 1192N -1.82 -0.08 -0.08 0.00 2.02 -1.08 -0.96 117.35 115.34 3kq4 s TYR 1192Ca 0.38 0.20 -0.04 0.00 -0.37 0.00 0.00 57.07 57.24 3kq4 s TYR 1192Cb -0.11 0.02 0.04 0.00 -0.40 0.00 0.00 41.96 41.51 3kq4 s TYR 1192CO 0.28 -0.06 0.20 -1.58 -1.57 0.00 0.00 175.55 172.82 3kq4 s TRP 1193N -0.06 -0.25 -0.27 2.71 0.52 0.16 -1.76 118.94 120.00 3kq4 s TRP 1193Ca -0.01 0.63 -0.01 0.00 0.02 0.00 0.00 56.10 56.73 3kq4 s TRP 1193Cb -0.01 -0.00 0.04 0.00 -1.15 0.00 0.00 33.47 32.35 3kq4 s TRP 1193CO 0.00 -0.19 -0.05 -0.46 0.02 0.00 0.00 176.95 176.27 3kq4 s TRP 1194N 1.07 3.17 -0.39 -1.98 -0.00 -0.67 -0.45 118.94 119.70 3kq4 s TRP 1194Ca -0.08 -1.81 -0.24 0.00 -0.00 0.00 0.00 56.10 53.97 3kq4 s TRP 1194Cb -0.10 -2.05 0.01 0.00 -0.00 0.00 0.00 33.47 31.34 3kq4 s TRP 1194CO -0.06 -0.79 0.83 -0.51 -0.00 0.00 0.00 176.95 176.42 3kq4 s LEU 1195N 1.26 4.10 -0.15 5.86 1.43 0.17 -3.53 118.68 127.82 3kq4 s LEU 1195Ca -0.03 0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 53.31 3kq4 s LEU 1195Cb -0.18 -3.09 0.06 0.00 0.03 0.00 0.00 46.19 43.01 3kq4 s LEU 1195CO -0.04 -0.82 0.35 -0.75 0.23 0.00 0.00 176.35 175.33 3kq4 s LYS 1196N 3.28 0.31 0.00 1.70 2.20 -1.18 -1.00 119.74 125.05 3kq4 s LYS 1196Ca 0.33 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 3kq4 s LYS 1196Cb -0.12 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 3kq4 s LYS 1196CO 0.19 -0.17 0.00 -1.13 -0.36 0.00 0.00 175.35 173.88 3kq4 n SER 1197N 4.40 0.00 -4.71 1.43 3.41 -1.26 -4.38 113.62 112.51 3kq4 n SER 1197Ca -0.22 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.97 3kq4 n SER 1197Cb 0.54 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 3kq4 n SER 1197CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kq4 s SER 1198N 1.00 7.24 0.12 4.04 0.01 -1.26 -4.94 113.70 119.90 3kq4 s SER 1198Ca 0.00 1.76 -0.31 0.00 1.31 0.00 0.00 55.95 58.71 3kq4 s SER 1198Cb 0.00 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.57 3kq4 s SER 1198CO 0.00 -0.38 1.60 -1.00 0.41 0.00 0.00 173.24 173.87 3kq4 s HIS 1199N 1.28 2.76 0.00 2.43 0.09 -1.26 -3.10 115.29 117.49 3kq4 s HIS 1199Ca 0.54 0.49 0.00 0.00 -0.00 0.00 0.00 55.06 56.09 3kq4 s HIS 1199Cb -0.23 -3.94 0.00 0.00 -0.00 0.00 0.00 32.58 28.41 3kq4 s HIS 1199CO 0.26 -3.60 0.00 0.41 -0.00 0.00 0.00 174.74 171.81 3kq4 n GLY 1200N 3.86 0.75 3.10 -2.22 0.00 -1.24 -2.46 105.19 106.98 3kq4 n GLY 1200Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3kq4 n GLY 1200CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kq4 s SER 1201N -2.58 2.19 0.40 1.61 0.01 -1.18 -4.87 113.70 109.28 3kq4 s SER 1201Ca 0.00 -0.38 -0.23 0.00 1.31 0.00 0.00 55.95 56.65 3kq4 s SER 1201Cb 0.00 -0.92 -0.10 0.00 0.21 0.00 0.00 66.02 65.22 3kq4 s SER 1201CO 0.00 0.09 1.00 0.00 0.41 0.00 0.00 173.24 174.74 3kq4 s ALA 1202N 0.43 3.08 0.65 1.44 0.00 -1.21 -4.45 121.76 121.71 3kq4 s ALA 1202Ca -0.13 0.58 -0.09 0.00 0.00 0.00 0.00 51.96 52.32 3kq4 s ALA 1202Cb -0.15 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3kq4 s ALA 1202CO 0.05 -0.05 1.00 -0.06 0.00 0.00 0.00 175.76 176.70 3kq4 s PHE 1203N -1.79 3.27 -0.08 0.00 0.40 -1.25 0.10 117.98 118.63 3kq4 s PHE 1203Ca 0.58 0.83 -0.06 0.00 -0.60 0.00 0.00 56.93 57.68 3kq4 s PHE 1203Cb -0.18 -2.93 0.03 0.00 0.51 0.00 0.00 43.02 40.45 3kq4 s PHE 1203CO 0.23 -1.03 0.21 -1.83 0.70 0.00 0.00 175.22 173.49 3kq4 s GLU 1204N -5.19 0.22 0.58 0.44 -1.05 0.62 -1.74 118.70 112.58 3kq4 s GLU 1204Ca 0.56 0.34 0.04 0.00 -0.15 0.00 0.00 54.97 55.76 3kq4 s GLU 1204Cb -0.11 0.05 0.06 0.00 -0.44 0.00 0.00 34.13 33.69 3kq4 s GLU 1204CO 0.48 -0.07 0.80 -0.51 0.95 0.00 0.00 175.26 176.91 3kq4 s LEU 1205N 0.42 3.24 0.00 1.83 2.01 -1.10 -1.51 118.68 123.56 3kq4 s LEU 1205Ca -0.03 -0.35 0.00 0.00 0.01 0.00 0.00 54.13 53.76 3kq4 s LEU 1205Cb -0.04 -2.35 0.00 0.00 0.01 0.00 0.00 46.19 43.81 3kq4 s LEU 1205CO -0.02 -1.30 0.00 1.21 1.01 0.00 0.00 176.35 177.25 3kq4 n GLU 1206N -2.36 0.00 -4.32 1.70 2.13 -0.89 -3.07 120.64 113.83 3kq4 n GLU 1206Ca 0.11 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.70 3kq4 n GLU 1206Cb 0.60 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 32.15 3kq4 n GLU 1206CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 3kq4 s PHE 1207N -2.00 1.25 -2.00 4.31 0.08 -1.26 -2.10 117.98 116.26 3kq4 s PHE 1207Ca 0.00 -0.48 0.11 0.00 0.12 0.00 0.00 56.93 56.68 3kq4 s PHE 1207Cb 0.00 -0.99 0.65 0.00 -0.57 0.00 0.00 43.02 42.11 3kq4 s PHE 1207CO 0.00 -0.30 1.41 1.63 -0.10 0.00 0.00 175.22 177.86 3kq4 n LYS 1208N 4.13 0.99 0.00 0.44 4.76 -0.83 -4.79 118.16 122.86 3kq4 n LYS 1208Ca -0.21 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 3kq4 n LYS 1208Cb 0.51 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 3kq4 n LYS 1208CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3kq4 n ASP 1209N -0.67 0.00 -4.11 4.39 -0.08 -1.26 -4.96 116.55 109.87 3kq4 n ASP 1209Ca 0.08 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.13 3kq4 n ASP 1209Cb 0.04 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.34 3kq4 n ASP 1209CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3kq4 s PHE 1210N 0.00 1.38 -0.30 -0.67 5.99 -1.26 -2.71 117.98 120.42 3kq4 s PHE 1210Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 56.93 56.48 3kq4 s PHE 1210Cb 0.00 -0.92 0.14 0.00 0.00 0.00 0.00 43.02 42.25 3kq4 s PHE 1210CO 0.00 -0.07 0.86 -1.58 -0.00 0.00 0.00 175.22 174.42 3kq4 s HIS 1211N -0.16 -0.89 0.38 10.12 2.46 -1.16 -4.50 115.29 121.55 3kq4 s HIS 1211Ca 0.02 1.60 -0.11 0.00 0.47 0.00 0.00 55.06 57.04 3kq4 s HIS 1211Cb -0.08 0.53 0.04 0.00 -0.13 0.00 0.00 32.58 32.95 3kq4 s HIS 1211CO 0.00 -0.44 0.71 -0.51 -2.47 0.00 0.00 174.74 172.03 3kq4 s LEU 1212N 2.26 0.32 -0.09 8.88 1.43 0.19 -3.13 118.68 128.53 3kq4 s LEU 1212Ca -0.06 -1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 51.46 3kq4 s LEU 1212Cb -0.07 2.48 -0.06 0.00 0.03 0.00 0.00 46.19 48.57 3kq4 s LEU 1212CO -0.18 -1.61 1.90 -1.61 0.23 0.00 0.00 176.35 175.08 3kq4 s GLU 1213N -2.39 3.83 0.42 1.70 2.02 -1.26 -3.14 118.70 119.89 3kq4 s GLU 1213Ca 0.20 2.20 -0.26 0.00 0.02 0.00 0.00 54.97 57.13 3kq4 s GLU 1213Cb -0.04 -4.16 -0.09 0.00 0.10 0.00 0.00 34.13 29.94 3kq4 s GLU 1213CO 0.14 -1.28 1.45 -1.58 0.02 0.00 0.00 175.26 174.01 3kq4 s HIS 1214N 5.46 2.50 -0.30 1.61 5.65 -1.26 -1.92 115.29 127.04 3kq4 s HIS 1214Ca 0.85 1.23 -0.11 0.00 0.25 0.00 0.00 55.06 57.28 3kq4 s HIS 1214Cb -0.35 -3.96 0.12 0.00 -1.18 0.00 0.00 32.58 27.21 3kq4 s HIS 1214CO 0.35 -2.96 0.65 -1.58 -0.65 0.00 0.00 174.74 170.56 3kq4 s HIS 1215N -1.17 -1.30 0.24 3.88 5.04 -1.26 -4.86 115.29 115.86 3kq4 s HIS 1215Ca 0.58 2.30 -0.31 0.00 -1.54 0.00 0.00 55.06 56.09 3kq4 s HIS 1215Cb -0.45 0.78 -0.14 0.00 0.04 0.00 0.00 32.58 32.81 3kq4 s HIS 1215CO 0.59 -0.64 1.26 -2.30 -2.34 0.00 0.00 174.74 171.31 3kq4 n PRO 1216N 5.25 1.68 0.00 2.88 -0.02 -1.26 -0.93 135.00 142.61 3kq4 n PRO 1216Ca -0.13 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3kq4 n PRO 1216Cb 0.51 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3kq4 n PRO 1216CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3kq4 n ASN 1217N 1.83 0.00 -1.89 2.55 5.15 -1.26 -4.74 115.26 116.89 3kq4 n ASN 1217Ca 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 3kq4 n ASN 1217Cb 0.30 -0.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 3kq4 n ASN 1217CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kq4 n THR 1219N 0.17 0.00 0.00 0.00 -1.04 -1.26 -5.07 114.28 107.07 3kq4 n THR 1219Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3kq4 n THR 1219Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3kq4 n THR 1219CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3kq4 n LEU 1220N 0.00 1.25 -4.18 -4.42 4.77 -1.26 -4.80 117.00 108.36 3kq4 n LEU 1220Ca 0.00 0.34 -0.32 0.00 -0.03 0.00 0.00 56.01 56.00 3kq4 n LEU 1220Cb 0.00 -0.10 -0.17 0.00 -2.33 0.00 0.00 43.42 40.83 3kq4 n LEU 1220CO 0.00 -0.10 -0.55 -1.81 -1.33 0.00 0.00 177.39 173.61 3kq4 s ASP 1221N -1.68 3.06 0.19 -1.43 -0.00 -1.26 -3.33 116.67 112.21 3kq4 s ASP 1221Ca 0.00 -0.58 -0.06 0.00 -0.00 0.00 0.00 52.55 51.91 3kq4 s ASP 1221Cb 0.00 -1.41 -0.02 0.00 -0.00 0.00 0.00 42.92 41.49 3kq4 s ASP 1221CO 0.00 0.10 0.25 -0.72 -0.00 0.00 0.00 175.17 174.80 3kq4 s TYR 1222N 0.66 0.71 -0.20 4.23 -0.85 -0.61 -4.41 117.35 116.88 3kq4 s TYR 1222Ca -0.11 -1.02 -0.03 0.00 -0.52 0.00 0.00 57.07 55.39 3kq4 s TYR 1222Cb -0.16 -0.22 0.06 0.00 0.38 0.00 0.00 41.96 42.02 3kq4 s TYR 1222CO 0.02 -0.73 0.03 -1.17 -1.52 0.00 0.00 175.55 172.18 3kq4 s LEU 1223N -3.06 1.26 -0.24 -3.49 0.20 0.20 -2.33 118.68 111.22 3kq4 s LEU 1223Ca 0.27 -0.84 -0.12 0.00 0.69 0.00 0.00 54.13 54.13 3kq4 s LEU 1223Cb 0.04 -0.63 -0.05 0.00 -0.43 0.00 0.00 46.19 45.13 3kq4 s LEU 1223CO 0.06 -0.30 0.21 0.00 -0.29 0.00 0.00 176.35 176.03 3kq4 s ALA 1224N 1.83 3.59 0.31 5.97 0.00 0.62 -0.95 121.76 133.14 3kq4 s ALA 1224Ca -0.01 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3kq4 s ALA 1224Cb -0.17 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 3kq4 s ALA 1224CO -0.08 -0.25 0.50 0.54 0.00 0.00 0.00 175.76 176.47 3kq4 s VAL 1225N 1.18 5.14 -0.22 0.00 0.11 -0.43 -0.97 120.40 125.20 3kq4 s VAL 1225Ca 0.10 -0.51 -0.03 0.00 -2.93 0.00 0.00 61.98 58.61 3kq4 s VAL 1225Cb -0.14 -3.84 0.11 0.00 -1.53 0.00 0.00 36.38 30.98 3kq4 s VAL 1225CO 0.06 -0.46 0.30 -0.31 -3.33 0.00 0.00 175.10 171.35 3kq4 s TYR 1226N -2.20 -0.54 -0.96 1.54 2.02 -0.29 -2.79 117.35 114.13 3kq4 s TYR 1226Ca 0.39 0.51 -0.27 0.00 -0.37 0.00 0.00 57.07 57.34 3kq4 s TYR 1226Cb -0.10 -0.18 -0.20 0.00 -0.40 0.00 0.00 41.96 41.09 3kq4 s TYR 1226CO 0.34 -0.66 2.25 0.34 -1.57 0.00 0.00 175.55 176.24 3kq4 s ASP 1227N 2.43 3.53 0.00 2.29 -1.08 -0.98 -2.05 116.67 120.82 3kq4 s ASP 1227Ca 0.10 -0.53 0.00 0.00 -0.52 0.00 0.00 52.55 51.60 3kq4 s ASP 1227Cb -0.16 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 3kq4 s ASP 1227CO -0.14 -4.50 0.00 0.61 0.52 0.00 0.00 175.17 171.66 3kq4 n GLY 1228N 6.43 3.23 0.23 2.66 0.00 -1.24 -3.98 105.19 112.52 3kq4 n GLY 1228Ca 0.44 -1.59 0.16 0.00 0.00 0.00 0.00 46.02 45.03 3kq4 n GLY 1228CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kq4 h PRO 1229N 0.00 0.00 -4.18 1.61 0.11 -1.83 -1.91 132.00 125.79 3kq4 h PRO 1229Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 3kq4 h PRO 1229Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 30.98 3kq4 h PRO 1229CO 0.00 0.00 -0.44 -1.54 -0.21 0.00 0.00 178.00 175.81 3kq4 s SER 1230N -4.90 0.09 0.54 -2.05 1.04 -1.26 -4.77 113.70 102.39 3kq4 s SER 1230Ca 0.00 -1.13 0.24 0.00 0.48 0.00 0.00 55.95 55.54 3kq4 s SER 1230Cb 0.09 0.43 1.41 0.00 0.10 0.00 0.00 66.02 68.05 3kq4 s SER 1230CO 0.41 -0.90 2.04 -1.28 0.98 0.00 0.00 173.24 174.49 3kq4 h SER 1231N 2.56 0.00 -0.69 7.02 0.87 -1.96 -1.65 113.55 119.70 3kq4 h SER 1231Ca -0.33 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.40 3kq4 h SER 1231Cb 1.24 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.16 3kq4 h SER 1231CO 0.49 0.00 0.48 0.78 -0.53 0.00 0.00 176.83 178.04 3kq4 h ASN 1232N 0.00 0.20 -3.74 6.23 2.35 -1.97 -3.44 115.58 115.20 3kq4 h ASN 1232Ca 0.18 0.01 -0.47 0.00 -0.55 0.00 0.00 56.30 55.47 3kq4 h ASN 1232Cb 0.74 -0.03 0.18 0.00 0.05 0.00 0.00 38.32 39.27 3kq4 h ASN 1232CO -0.00 0.10 0.14 -0.44 -1.65 0.00 0.00 177.43 175.57 3kq4 s SER 1233N -6.01 2.21 -0.08 5.81 0.01 -0.62 -4.88 113.70 110.14 3kq4 s SER 1233Ca -0.06 1.58 -0.29 0.00 1.31 0.00 0.00 55.95 58.48 3kq4 s SER 1233Cb 0.21 -2.25 -0.06 0.00 0.21 0.00 0.00 66.02 64.12 3kq4 s SER 1233CO 0.75 -3.44 1.93 -2.28 0.41 0.00 0.00 173.24 170.60 3kq4 s HIS 1234N -2.69 1.49 -0.30 2.43 2.46 -1.26 -4.81 115.29 112.60 3kq4 s HIS 1234Ca 0.66 0.04 -0.29 0.00 0.47 0.00 0.00 55.06 55.95 3kq4 s HIS 1234Cb -0.22 -4.08 -0.02 0.00 -0.13 0.00 0.00 32.58 28.13 3kq4 s HIS 1234CO 0.60 -4.53 1.76 -1.17 -2.47 0.00 0.00 174.74 168.93 3kq4 s LEU 1235N 5.46 3.59 0.12 8.88 2.96 -1.26 -2.31 118.68 136.12 3kq4 s LEU 1235Ca 0.86 1.37 -0.10 0.00 -0.22 0.00 0.00 54.13 56.05 3kq4 s LEU 1235Cb -0.36 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 42.71 3kq4 s LEU 1235CO 0.36 -1.61 1.35 -0.07 -1.32 0.00 0.00 176.35 175.07 3kq4 h LEU 1236N 13.22 0.85 -7.00 -0.68 3.38 -1.87 -3.48 115.31 119.73 3kq4 h LEU 1236Ca -0.34 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.12 3kq4 h LEU 1236Cb 1.16 -0.25 -0.18 0.00 0.09 0.00 0.00 40.66 41.49 3kq4 h LEU 1236CO 1.02 1.33 0.37 -0.89 0.09 0.00 0.00 178.44 180.36 3kq4 s THR 1237N -3.78 0.00 -0.05 0.22 2.01 -1.24 -5.01 115.64 107.79 3kq4 s THR 1237Ca -0.09 0.00 0.04 0.00 0.31 0.00 0.00 61.69 61.95 3kq4 s THR 1237Cb 0.09 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 3kq4 s THR 1237CO 0.89 0.00 -0.18 -1.58 -0.69 0.00 0.00 174.62 173.06 3kq4 s GLN 1238N -2.21 1.97 0.02 4.92 0.74 -1.26 -1.31 119.66 122.52 3kq4 s GLN 1238Ca -0.02 -0.64 0.06 0.00 0.05 0.00 0.00 55.36 54.81 3kq4 s GLN 1238Cb -0.01 -1.66 -0.02 0.00 1.10 0.00 0.00 33.01 32.42 3kq4 s GLN 1238CO -0.02 0.22 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.26 3kq4 s LEU 1239N 0.14 2.11 0.33 3.68 1.02 -0.12 -4.90 118.68 120.93 3kq4 s LEU 1239Ca -0.07 -0.41 -0.14 0.00 0.02 0.00 0.00 54.13 53.53 3kq4 s LEU 1239Cb -0.13 -0.83 0.03 0.00 0.02 0.00 0.00 46.19 45.28 3kq4 s LEU 1239CO 0.03 0.15 0.66 0.00 0.02 0.00 0.00 176.35 177.21 3kq4 n GLY 1241N -0.49 -1.69 0.30 0.00 0.00 -0.81 -4.62 105.19 97.88 3kq4 n GLY 1241Ca -0.04 -1.57 0.07 0.00 0.00 0.00 0.00 46.02 44.48 3kq4 n GLY 1241CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kq4 n ASP 1242N 0.09 1.44 -4.84 1.61 2.03 -1.24 0.53 116.55 116.15 3kq4 n ASP 1242Ca 0.00 -1.22 -0.34 0.00 0.52 0.00 0.00 54.79 53.75 3kq4 n ASP 1242Cb 0.00 0.52 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 3kq4 n ASP 1242CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3kq4 s GLU 1243N -1.81 4.05 -0.44 -0.67 2.56 -1.26 -4.62 118.70 116.51 3kq4 s GLU 1243Ca 0.11 0.63 -0.22 0.00 0.00 0.00 0.00 54.97 55.49 3kq4 s GLU 1243Cb 0.12 -2.73 0.02 0.00 2.00 0.00 0.00 34.13 33.53 3kq4 s GLU 1243CO 0.38 0.34 0.70 0.21 -0.56 0.00 0.00 175.26 176.33 3kq4 s LYS 1244N -2.37 3.37 0.99 4.30 2.20 -1.26 -4.82 119.74 122.15 3kq4 s LYS 1244Ca 0.45 -0.23 -0.15 0.00 -0.36 0.00 0.00 55.97 55.69 3kq4 s LYS 1244Cb -0.14 -3.93 0.01 0.00 -1.51 0.00 0.00 37.83 32.26 3kq4 s LYS 1244CO 0.20 -1.03 0.04 -2.30 -0.36 0.00 0.00 175.35 171.90 3kq4 n PRO 1245N 6.42 -0.46 -3.26 4.03 -0.02 -1.26 -5.03 135.00 135.42 3kq4 n PRO 1245Ca 0.00 -0.11 -0.36 0.00 -2.02 0.00 0.00 63.50 61.02 3kq4 n PRO 1245Cb 0.48 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 32.25 3kq4 n PRO 1245CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kq4 s PRO 1246N -3.26 4.08 0.82 0.52 0.02 -1.26 -4.81 135.00 131.12 3kq4 s PRO 1246Ca 0.53 0.64 -0.14 0.00 0.02 0.00 0.00 61.00 62.04 3kq4 s PRO 1246Cb -0.18 -2.92 0.02 0.00 0.02 0.00 0.00 34.50 31.44 3kq4 s PRO 1246CO 0.70 0.45 0.69 1.47 -0.33 0.00 0.00 177.00 179.99 3kq4 n LEU 1247N 0.80 1.60 -3.83 -5.54 -0.00 -1.26 -4.92 117.00 103.85 3kq4 n LEU 1247Ca -0.04 0.51 -0.29 0.00 -0.00 0.00 0.00 56.01 56.19 3kq4 n LEU 1247Cb 0.51 -1.30 -0.13 0.00 -0.00 0.00 0.00 43.42 42.50 3kq4 n LEU 1247CO 0.43 -2.84 -0.19 -0.63 -0.00 0.00 0.00 177.39 174.16 3kq4 s ILE 1248N -2.11 2.12 -0.48 1.47 1.01 -1.17 -4.92 121.20 117.11 3kq4 s ILE 1248Ca 0.65 -3.18 -0.28 0.00 0.00 0.00 0.00 60.65 57.84 3kq4 s ILE 1248Cb -0.29 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.73 3kq4 s ILE 1248CO 0.59 -0.89 1.40 -0.60 0.00 0.00 0.00 174.94 175.44 3kq4 s ARG 1249N -0.25 3.46 0.90 2.79 3.52 -1.26 -2.70 118.95 125.41 3kq4 s ARG 1249Ca 0.19 0.71 -0.14 0.00 -0.13 0.00 0.00 55.73 56.36 3kq4 s ARG 1249Cb -0.20 -4.06 0.02 0.00 -1.56 0.00 0.00 34.95 29.14 3kq4 s ARG 1249CO -0.04 -1.72 0.40 0.45 -0.81 0.00 0.00 175.30 173.58 3kq4 n SER 1250N 9.12 -1.99 -0.46 -2.12 2.88 -0.71 -4.93 113.62 115.40 3kq4 n SER 1250Ca 0.15 0.38 0.08 0.00 -1.33 0.00 0.00 58.87 58.15 3kq4 n SER 1250Cb 0.49 -1.20 0.02 0.00 -0.75 0.00 0.00 64.21 62.76 3kq4 n SER 1250CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3kq4 n SER 1251N -0.97 1.86 -3.73 -3.46 3.41 -1.26 -4.62 113.62 104.85 3kq4 n SER 1251Ca 0.07 -1.43 -0.21 0.00 -0.26 0.00 0.00 58.87 57.04 3kq4 n SER 1251Cb 0.53 0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 64.75 3kq4 n SER 1251CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kq4 s GLY 1252N -1.83 2.39 0.12 5.00 0.00 -1.26 -4.70 107.32 107.04 3kq4 s GLY 1252Ca 0.15 -1.70 -0.22 0.00 0.00 0.00 0.00 44.72 42.95 3kq4 s GLY 1252CO 0.37 -1.62 1.38 1.34 0.00 0.00 0.00 173.10 174.58 3kq4 n ASP 1253N -1.36 -0.76 -4.95 1.64 2.03 -1.26 -3.86 116.55 108.02 3kq4 n ASP 1253Ca 0.02 1.56 -0.24 0.00 0.52 0.00 0.00 54.79 56.65 3kq4 n ASP 1253Cb 0.64 -0.30 0.04 0.00 -0.72 0.00 0.00 41.12 40.77 3kq4 n ASP 1253CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3kq4 s SER 1254N -4.81 5.38 -0.22 1.67 0.01 -1.26 -4.47 113.70 110.00 3kq4 s SER 1254Ca -0.09 0.31 -0.10 0.00 1.31 0.00 0.00 55.95 57.38 3kq4 s SER 1254Cb 0.08 -1.25 0.08 0.00 0.21 0.00 0.00 66.02 65.14 3kq4 s SER 1254CO 0.45 -1.11 0.51 -0.32 0.41 0.00 0.00 173.24 173.17 3kq4 s MET 1255N -4.86 0.47 0.08 12.44 1.75 -0.17 -3.71 119.30 125.30 3kq4 s MET 1255Ca 0.55 1.07 0.02 0.00 -1.25 0.00 0.00 55.69 56.08 3kq4 s MET 1255Cb -0.10 0.27 -0.04 0.00 2.84 0.00 0.00 34.83 37.80 3kq4 s MET 1255CO 0.41 -0.19 0.14 0.12 -0.65 0.00 0.00 175.02 174.85 3kq4 s PHE 1256N 2.07 3.33 -0.12 4.11 5.36 -0.72 0.46 117.98 132.47 3kq4 s PHE 1256Ca -0.07 0.14 -0.05 0.00 -0.96 0.00 0.00 56.93 55.99 3kq4 s PHE 1256Cb -0.09 -1.67 0.06 0.00 -0.34 0.00 0.00 43.02 40.97 3kq4 s PHE 1256CO -0.15 0.55 0.25 0.42 -1.46 0.00 0.00 175.22 174.83 3kq4 s ILE 1257N -1.48 -0.27 0.00 3.12 1.01 0.41 -1.13 121.20 122.86 3kq4 s ILE 1257Ca 0.32 0.23 0.06 0.00 0.00 0.00 0.00 60.65 61.26 3kq4 s ILE 1257Cb -0.12 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 3kq4 s ILE 1257CO 0.25 0.10 -0.19 -0.75 0.00 0.00 0.00 174.94 174.35 3kq4 s LYS 1258N 1.98 1.46 -0.01 2.79 2.20 -0.15 -0.67 119.74 127.34 3kq4 s LYS 1258Ca -0.03 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 54.85 3kq4 s LYS 1258Cb -0.11 -1.45 0.00 0.00 -1.51 0.00 0.00 37.83 34.76 3kq4 s LYS 1258CO -0.08 0.39 -0.04 -1.17 -0.36 0.00 0.00 175.35 174.09 3kq4 s LEU 1259N -0.66 1.82 0.02 5.43 0.20 -0.14 -0.27 118.68 125.08 3kq4 s LEU 1259Ca 0.07 -0.07 0.04 0.00 0.69 0.00 0.00 54.13 54.85 3kq4 s LEU 1259Cb -0.08 -0.24 -0.02 0.00 -0.43 0.00 0.00 46.19 45.43 3kq4 s LEU 1259CO -0.00 0.02 -0.11 -0.60 -0.29 0.00 0.00 176.35 175.37 3kq4 s ARG 1260N 0.16 0.80 -0.05 1.98 3.52 -0.99 -0.17 118.95 124.21 3kq4 s ARG 1260Ca -0.01 -0.58 0.04 0.00 -0.13 0.00 0.00 55.73 55.04 3kq4 s ARG 1260Cb -0.05 -0.76 -0.00 0.00 -1.56 0.00 0.00 34.95 32.58 3kq4 s ARG 1260CO -0.00 0.19 -0.18 0.95 -0.81 0.00 0.00 175.30 175.45 3kq4 s THR 1261N -0.67 1.51 0.38 4.11 -4.23 -0.59 -1.58 115.64 114.57 3kq4 s THR 1261Ca 0.01 -0.75 -0.16 0.00 -1.18 0.00 0.00 61.69 59.61 3kq4 s THR 1261Cb -0.06 -1.30 -0.09 0.00 1.34 0.00 0.00 72.50 72.38 3kq4 s THR 1261CO 0.00 0.43 0.82 1.51 -0.54 0.00 0.00 174.62 176.85 3kq4 s ASP 1262N 0.12 6.79 0.31 3.99 -4.77 -1.21 -1.04 116.67 120.86 3kq4 s ASP 1262Ca -0.06 1.40 -0.26 0.00 -3.30 0.00 0.00 52.55 50.33 3kq4 s ASP 1262Cb -0.13 -2.43 -0.14 0.00 -1.09 0.00 0.00 42.92 39.13 3kq4 s ASP 1262CO 0.03 -0.30 0.72 -0.62 0.70 0.00 0.00 175.17 175.71 3kq4 n GLU 1263N -0.62 0.75 -0.95 2.11 -0.58 -1.26 -3.85 120.64 116.23 3kq4 n GLU 1263Ca 0.05 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 3kq4 n GLU 1263Cb 0.54 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 3kq4 n GLU 1263CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kq4 n GLY 1264N 1.61 -4.01 1.75 0.62 0.00 -1.26 -4.90 105.19 98.99 3kq4 n GLY 1264Ca 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3kq4 n GLY 1264CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kq4 n GLN 1265N -0.76 -4.89 -3.66 1.61 -0.06 -1.26 -5.03 117.38 103.33 3kq4 n GLN 1265Ca 0.00 3.52 -0.08 0.00 -2.00 0.00 0.00 57.00 58.44 3kq4 n GLN 1265Cb 0.00 -3.88 -0.09 0.00 -4.06 0.00 0.00 30.24 22.21 3kq4 n GLN 1265CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 3kq4 s GLN 1266N -2.20 0.36 0.82 3.69 1.11 -1.26 -4.83 119.66 117.35 3kq4 s GLN 1266Ca 0.00 1.03 -0.08 0.00 0.01 0.00 0.00 55.36 56.32 3kq4 s GLN 1266Cb 0.00 0.31 0.15 0.00 -1.01 0.00 0.00 33.01 32.46 3kq4 s GLN 1266CO 0.00 -0.23 1.14 0.20 0.01 0.00 0.00 175.29 176.41 3kq4 s GLY 1267N 2.42 1.76 0.17 3.09 0.00 -1.26 -4.81 107.32 108.69 3kq4 s GLY 1267Ca -0.03 -1.37 -0.12 0.00 0.00 0.00 0.00 44.72 43.20 3kq4 s GLY 1267CO -0.13 -0.74 1.72 0.07 0.00 0.00 0.00 173.10 174.02 3kq4 h ARG 1268N -1.03 0.90 0.00 2.90 0.11 -1.88 -3.14 114.38 112.24 3kq4 h ARG 1268Ca -0.41 -0.17 0.00 0.00 0.10 0.00 0.00 59.98 59.50 3kq4 h ARG 1268Cb 1.26 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 32.20 3kq4 h ARG 1268CO 0.43 0.78 0.00 0.41 0.10 0.00 0.00 179.97 181.69 3kq4 n GLY 1269N -0.79 0.66 3.28 0.08 0.00 -1.18 -3.47 105.19 103.75 3kq4 n GLY 1269Ca 0.03 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.74 3kq4 n GLY 1269CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kq4 s PHE 1270N -0.82 1.38 -0.03 1.61 -0.12 -1.26 -2.96 117.98 115.77 3kq4 s PHE 1270Ca 0.00 -1.08 0.00 0.00 -0.05 0.00 0.00 56.93 55.80 3kq4 s PHE 1270Cb 0.00 -0.79 0.03 0.00 -0.63 0.00 0.00 43.02 41.62 3kq4 s PHE 1270CO 0.00 -0.25 0.01 0.21 -0.05 0.00 0.00 175.22 175.13 3kq4 s LYS 1271N -3.96 0.29 -0.26 1.99 2.20 -1.10 -2.95 119.74 115.94 3kq4 s LYS 1271Ca 0.30 0.10 0.01 0.00 -0.36 0.00 0.00 55.97 56.03 3kq4 s LYS 1271Cb 0.07 -0.52 0.07 0.00 -1.51 0.00 0.00 37.83 35.94 3kq4 s LYS 1271CO 0.08 -0.16 -0.03 0.00 -0.36 0.00 0.00 175.35 174.88 3kq4 s ALA 1272N 1.19 2.09 0.25 3.13 0.00 -0.80 -1.96 121.76 125.66 3kq4 s ALA 1272Ca -0.07 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 50.03 3kq4 s ALA 1272Cb -0.13 -1.53 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 3kq4 s ALA 1272CO -0.02 -1.29 1.06 -2.00 0.00 0.00 0.00 175.76 173.50 3kq4 s GLU 1273N 1.33 4.69 -0.05 0.00 2.12 -0.89 -2.62 118.70 123.27 3kq4 s GLU 1273Ca -0.03 1.71 -0.02 0.00 0.36 0.00 0.00 54.97 56.99 3kq4 s GLU 1273Cb -0.19 -3.23 0.04 0.00 0.26 0.00 0.00 34.13 31.01 3kq4 s GLU 1273CO -0.08 0.26 0.10 1.52 -0.54 0.00 0.00 175.26 176.52 3kq4 s TYR 1274N -0.97 -0.08 0.30 5.30 -0.85 -0.96 -2.09 117.35 118.00 3kq4 s TYR 1274Ca 0.45 0.38 0.10 0.00 -0.52 0.00 0.00 57.07 57.47 3kq4 s TYR 1274Cb -0.30 -0.21 -0.05 0.00 0.38 0.00 0.00 41.96 41.79 3kq4 s TYR 1274CO 0.38 -0.17 -0.01 1.03 -1.52 0.00 0.00 175.55 175.26 3kq4 s ARG 1275N 1.47 2.17 -0.21 -3.49 0.52 -0.57 -2.31 118.95 116.53 3kq4 s ARG 1275Ca -0.05 -1.56 -0.06 0.00 -0.52 0.00 0.00 55.73 53.53 3kq4 s ARG 1275Cb -0.12 -2.05 -0.03 0.00 0.52 0.00 0.00 34.95 33.26 3kq4 s ARG 1275CO -0.05 0.27 0.04 -1.14 0.02 0.00 0.00 175.30 174.44 3kq4 s GLN 1276N -3.69 3.76 0.60 3.54 0.74 -0.86 -0.27 119.66 123.48 3kq4 s GLN 1276Ca 0.33 -0.44 0.03 0.00 0.05 0.00 0.00 55.36 55.32 3kq4 s GLN 1276Cb -0.04 -3.19 0.07 0.00 1.10 0.00 0.00 33.01 30.95 3kq4 s GLN 1276CO 0.19 0.06 0.83 0.99 -0.55 0.00 0.00 175.29 176.82 3kq4 s THR 1277N 0.91 2.44 0.00 -0.34 2.01 0.28 -4.94 115.64 116.01 3kq4 s THR 1277Ca 0.03 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.30 3kq4 s THR 1277Cb -0.14 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 69.66 3kq4 s THR 1277CO 0.02 0.00 0.16 0.00 -0.69 0.00 0.00 174.62 174.12 3kq4 s GLU 1279N 0.00 3.65 -0.51 0.00 2.12 -1.26 -2.37 118.70 120.32 3kq4 s GLU 1279Ca 0.00 0.16 -0.02 0.00 0.36 0.00 0.00 54.97 55.47 3kq4 s GLU 1279Cb 0.00 -3.84 0.00 0.00 0.26 0.00 0.00 34.13 30.55 3kq4 s GLU 1279CO 0.00 -0.89 0.32 0.09 -0.54 0.00 0.00 175.26 174.24 3kq4 n ASN 1280N 6.42 -3.37 -4.89 -1.70 5.03 -1.04 -4.95 115.26 110.75 3kq4 n ASN 1280Ca 0.02 -0.15 -0.29 0.00 0.87 0.00 0.00 54.58 55.03 3kq4 n ASN 1280Cb 0.48 -2.09 0.00 0.00 -1.02 0.00 0.00 39.78 37.15 3kq4 n ASN 1280CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3kq4 s VAL 1281N -2.95 4.83 -0.07 2.41 -7.23 -0.88 -5.00 120.40 111.51 3kq4 s VAL 1281Ca 0.16 0.44 -0.03 0.00 -1.81 0.00 0.00 61.98 60.74 3kq4 s VAL 1281Cb -0.07 -3.87 0.04 0.00 0.56 0.00 0.00 36.38 33.05 3kq4 s VAL 1281CO 0.20 -0.95 0.13 -0.69 -0.31 0.00 0.00 175.10 173.48 3kq4 s VAL 1282N -2.90 -0.21 -0.53 1.32 1.01 -1.26 -1.60 120.40 116.23 3kq4 s VAL 1282Ca 0.50 0.37 -0.25 0.00 0.00 0.00 0.00 61.98 62.60 3kq4 s VAL 1282Cb -0.11 -0.25 0.04 0.00 0.00 0.00 0.00 36.38 36.06 3kq4 s VAL 1282CO 0.48 0.15 0.96 -0.63 0.00 0.00 0.00 175.10 176.07 3kq4 s ILE 1283N 2.21 4.37 0.08 2.22 -1.09 -0.49 -4.89 121.20 123.61 3kq4 s ILE 1283Ca 0.03 0.45 -0.14 0.00 -2.23 0.00 0.00 60.65 58.76 3kq4 s ILE 1283Cb -0.12 -4.54 -0.17 0.00 -1.58 0.00 0.00 42.46 36.05 3kq4 s ILE 1283CO -0.05 -1.07 1.27 -0.37 -1.23 0.00 0.00 174.94 173.49 3kq4 h VAL 1284N 6.05 1.30 -2.20 2.92 -1.51 -1.86 -0.64 116.25 120.31 3kq4 h VAL 1284Ca -0.25 -1.97 -0.00 0.00 -1.23 0.00 0.00 66.70 63.24 3kq4 h VAL 1284Cb 1.07 2.08 -0.23 0.00 -2.13 0.00 0.00 31.29 32.09 3kq4 h VAL 1284CO 1.08 0.62 -0.15 0.54 -1.23 0.00 0.00 177.57 178.43 3kq4 s ASN 1285N -7.02 -0.82 -0.29 4.19 2.20 -1.26 -4.54 114.94 107.40 3kq4 s ASN 1285Ca -0.11 1.34 -0.16 0.00 -0.94 0.00 0.00 52.86 52.99 3kq4 s ASN 1285Cb 0.08 1.56 0.14 0.00 -2.00 0.00 0.00 41.25 41.03 3kq4 s ASN 1285CO 0.89 -0.22 0.95 -1.10 -2.94 0.00 0.00 177.10 174.67 3kq4 s GLN 1286N 2.15 0.41 0.11 3.55 -0.21 -1.26 -5.04 119.66 119.38 3kq4 s GLN 1286Ca -0.07 0.71 -0.26 0.00 0.02 0.00 0.00 55.36 55.77 3kq4 s GLN 1286Cb -0.09 0.08 -0.07 0.00 1.00 0.00 0.00 33.01 33.93 3kq4 s GLN 1286CO -0.17 -0.09 1.65 1.15 -2.12 0.00 0.00 175.29 175.71 3kq4 h THR 1287N 4.97 0.51 -4.73 -0.19 2.02 -1.96 -3.46 112.91 110.07 3kq4 h THR 1287Ca -0.28 0.00 -0.41 0.00 0.77 0.00 0.00 66.41 66.49 3kq4 h THR 1287Cb 1.20 0.51 -0.13 0.00 -1.74 0.00 0.00 68.15 67.99 3kq4 h THR 1287CO 0.19 0.00 -0.46 -0.72 0.37 0.00 0.00 175.52 174.91 3kq4 s TYR 1288N -6.09 1.57 -2.89 3.16 -0.00 -1.26 -3.81 117.35 108.02 3kq4 s TYR 1288Ca -0.15 -1.57 0.00 0.00 -0.00 0.00 0.00 57.07 55.35 3kq4 s TYR 1288Cb 0.08 -0.59 0.00 0.00 -0.00 0.00 0.00 41.96 41.45 3kq4 s TYR 1288CO 0.66 -0.89 0.00 0.41 -0.00 0.00 0.00 175.55 175.73 3kq4 n GLY 1289N -0.57 -1.61 3.32 5.49 0.00 -1.21 -4.96 105.19 105.65 3kq4 n GLY 1289Ca 0.06 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 3kq4 n GLY 1289CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kq4 s ILE 1290N -2.66 1.98 -0.25 -0.61 -1.09 -1.26 -1.78 121.20 115.53 3kq4 s ILE 1290Ca 0.00 -1.36 0.01 0.00 -2.23 0.00 0.00 60.65 57.07 3kq4 s ILE 1290Cb 0.00 -1.71 0.04 0.00 -1.58 0.00 0.00 42.46 39.21 3kq4 s ILE 1290CO 0.00 0.28 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.14 3kq4 s LEU 1291N -1.30 3.28 -0.02 2.97 1.43 0.39 -3.59 118.68 121.83 3kq4 s LEU 1291Ca 0.10 -1.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.09 3kq4 s LEU 1291Cb -0.10 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3kq4 s LEU 1291CO 0.02 -0.16 -0.14 -1.83 0.23 0.00 0.00 176.35 174.47 3kq4 s GLU 1292N 1.20 1.30 0.11 1.70 -1.05 -1.03 -1.24 118.70 119.70 3kq4 s GLU 1292Ca -0.04 -0.50 -0.31 0.00 -0.15 0.00 0.00 54.97 53.97 3kq4 s GLU 1292Cb -0.18 -1.20 -0.10 0.00 -0.44 0.00 0.00 34.13 32.21 3kq4 s GLU 1292CO -0.05 0.25 1.85 -1.54 0.95 0.00 0.00 175.26 176.71 3kq4 s SER 1293N -0.12 6.42 0.03 0.83 1.04 -1.09 -4.61 113.70 116.20 3kq4 s SER 1293Ca 0.01 2.75 -0.05 0.00 0.48 0.00 0.00 55.95 59.14 3kq4 s SER 1293Cb -0.08 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.47 3kq4 s SER 1293CO 0.00 -1.01 0.42 2.30 0.98 0.00 0.00 173.24 175.94 3kq4 n ILE 1294N 4.82 -0.12 -0.14 -1.02 -5.35 -1.26 0.56 119.36 116.86 3kq4 n ILE 1294Ca 0.18 0.66 0.17 0.00 -0.27 0.00 0.00 62.75 63.49 3kq4 n ILE 1294Cb 0.38 -0.83 0.55 0.00 -1.74 0.00 0.00 39.64 38.00 3kq4 n ILE 1294CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3kq4 h GLY 1295N 0.00 0.54 -5.45 3.28 0.00 -1.88 -3.43 103.07 96.13 3kq4 h GLY 1295Ca 0.03 -0.13 -0.72 0.00 0.00 0.00 0.00 47.33 46.50 3kq4 h GLY 1295CO -0.16 0.04 -0.20 2.98 0.00 0.00 0.00 176.54 179.20 3kq4 n TYR 1296N -4.45 0.13 1.54 5.60 9.36 0.19 -2.92 117.16 126.61 3kq4 n TYR 1296Ca 0.14 1.00 0.01 0.00 3.32 0.00 0.00 57.90 62.37 3kq4 n TYR 1296Cb 0.57 -2.00 0.05 0.00 -0.63 0.00 0.00 39.34 37.33 3kq4 n TYR 1296CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 3kq4 n PRO 1297N 1.25 1.28 -2.04 2.98 -0.02 -1.26 -5.00 135.00 132.19 3kq4 n PRO 1297Ca 0.19 -0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 60.90 3kq4 n PRO 1297Cb 0.15 -1.16 -0.01 0.00 -0.02 0.00 0.00 33.50 32.46 3kq4 n PRO 1297CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3kq4 s ASN 1298N -0.86 6.61 0.49 2.55 0.01 -1.15 -4.75 114.94 117.84 3kq4 s ASN 1298Ca 0.07 2.76 -0.23 0.00 -0.71 0.00 0.00 52.86 54.75 3kq4 s ASN 1298Cb 0.04 -2.65 -0.08 0.00 0.41 0.00 0.00 41.25 38.97 3kq4 s ASN 1298CO 0.04 -0.65 1.17 -0.81 -1.51 0.00 0.00 177.10 175.34 3kq4 n PRO 1299N 0.63 1.53 -2.85 -0.60 -0.04 -1.25 -4.38 135.00 128.03 3kq4 n PRO 1299Ca 0.01 0.56 -0.37 0.00 -0.04 0.00 0.00 63.50 63.66 3kq4 n PRO 1299Cb 0.41 -2.31 -0.06 0.00 -0.04 0.00 0.00 33.50 31.50 3kq4 n PRO 1299CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3kq4 s TYR 1300N -1.30 3.67 0.44 0.54 -0.85 -0.97 -4.81 117.35 114.07 3kq4 s TYR 1300Ca 0.67 1.70 -0.26 0.00 -0.52 0.00 0.00 57.07 58.66 3kq4 s TYR 1300Cb -0.48 -2.86 -0.08 0.00 0.38 0.00 0.00 41.96 38.92 3kq4 s TYR 1300CO 0.53 0.23 1.40 -1.54 -1.52 0.00 0.00 175.55 174.65 3kq4 s SER 1301N -1.64 5.98 0.44 -0.18 1.04 -1.26 -4.95 113.70 113.12 3kq4 s SER 1301Ca 0.49 2.87 -0.24 0.00 0.48 0.00 0.00 55.95 59.55 3kq4 s SER 1301Cb -0.18 -2.65 -0.08 0.00 0.10 0.00 0.00 66.02 63.21 3kq4 s SER 1301CO 0.23 -1.10 1.21 -1.61 0.98 0.00 0.00 173.24 172.95 3kq4 s GLU 1302N -2.39 3.84 -0.22 4.02 8.01 -1.26 -4.33 118.70 126.35 3kq4 s GLU 1302Ca 0.60 1.91 -0.01 0.00 0.01 0.00 0.00 54.97 57.47 3kq4 s GLU 1302Cb -0.43 -2.55 0.00 0.00 -4.31 0.00 0.00 34.13 26.85 3kq4 s GLU 1302CO 0.55 -0.52 0.20 0.09 0.01 0.00 0.00 175.26 175.58 3kq4 n ASN 1303N -0.24 -2.64 -4.76 -0.19 3.02 -0.93 -4.94 115.26 104.59 3kq4 n ASN 1303Ca 0.06 -0.09 -0.36 0.00 -0.03 0.00 0.00 54.58 54.16 3kq4 n ASN 1303Cb 0.46 -1.27 -0.08 0.00 -0.61 0.00 0.00 39.78 38.29 3kq4 n ASN 1303CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kq4 s GLN 1304N -5.08 3.73 -0.71 3.52 -0.21 -1.11 -4.95 119.66 114.85 3kq4 s GLN 1304Ca 0.09 -0.23 -0.04 0.00 0.02 0.00 0.00 55.36 55.20 3kq4 s GLN 1304Cb -0.04 -3.22 0.18 0.00 1.00 0.00 0.00 33.01 30.93 3kq4 s GLN 1304CO 0.12 0.52 0.55 -1.01 -2.12 0.00 0.00 175.29 173.35 3kq4 s HIS 1305N -0.31 3.54 -0.12 0.91 3.76 -1.26 -2.12 115.29 119.70 3kq4 s HIS 1305Ca 0.10 -2.72 -0.13 0.00 -0.15 0.00 0.00 55.06 52.17 3kq4 s HIS 1305Cb -0.12 -3.27 -0.05 0.00 1.11 0.00 0.00 32.58 30.26 3kq4 s HIS 1305CO 0.01 -0.83 0.28 0.00 -0.85 0.00 0.00 174.74 173.35 3kq4 s ASN 1307N -0.19 2.25 0.26 0.00 3.84 -1.00 -1.82 114.94 118.29 3kq4 s ASN 1307Ca 0.18 -1.82 -0.00 0.00 0.21 0.00 0.00 52.86 51.42 3kq4 s ASN 1307Cb -0.14 0.02 -0.04 0.00 -0.55 0.00 0.00 41.25 40.54 3kq4 s ASN 1307CO 0.06 -0.30 0.45 0.26 -2.79 0.00 0.00 177.10 174.78 3kq4 s TRP 1308N 1.35 3.48 -0.21 0.43 0.51 -0.56 -2.08 118.94 121.86 3kq4 s TRP 1308Ca 0.16 0.35 -0.04 0.00 -2.12 0.00 0.00 56.10 54.45 3kq4 s TRP 1308Cb -0.19 -1.87 0.10 0.00 -0.81 0.00 0.00 33.47 30.70 3kq4 s TRP 1308CO -0.05 0.29 0.30 0.99 -0.51 0.00 0.00 176.95 177.97 3kq4 s THR 1309N -2.03 -0.47 -0.18 2.01 2.01 -0.63 -0.31 115.64 116.04 3kq4 s THR 1309Ca 0.39 -0.01 -0.15 0.00 0.31 0.00 0.00 61.69 62.22 3kq4 s THR 1309Cb -0.10 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 3kq4 s THR 1309CO 0.31 -0.10 0.37 -0.63 -0.69 0.00 0.00 174.62 173.88 3kq4 s ILE 1310N 2.45 5.23 -0.20 1.82 1.01 -0.32 -1.40 121.20 129.79 3kq4 s ILE 1310Ca 0.08 0.67 -0.04 0.00 0.00 0.00 0.00 60.65 61.36 3kq4 s ILE 1310Cb -0.15 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 3kq4 s ILE 1310CO -0.13 0.30 -0.04 -0.13 0.00 0.00 0.00 174.94 174.94 3kq4 s ARG 1311N 0.99 3.45 -0.33 2.79 0.52 -0.25 -2.49 118.95 123.64 3kq4 s ARG 1311Ca 0.19 -0.60 -0.24 0.00 -0.52 0.00 0.00 55.73 54.55 3kq4 s ARG 1311Cb -0.14 -2.97 0.01 0.00 0.52 0.00 0.00 34.95 32.36 3kq4 s ARG 1311CO 0.07 -0.07 0.83 0.00 0.02 0.00 0.00 175.30 176.15 3kq4 s ALA 1312N 1.15 3.49 0.47 2.13 0.00 -0.14 -4.44 121.76 124.42 3kq4 s ALA 1312Ca 0.02 -0.44 -0.21 0.00 0.00 0.00 0.00 51.96 51.33 3kq4 s ALA 1312Cb -0.15 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 3kq4 s ALA 1312CO -0.00 -1.34 0.61 0.25 0.00 0.00 0.00 175.76 175.27 3kq4 n THR 1313N 5.68 2.03 0.00 0.00 -2.24 -1.26 -4.45 114.28 114.03 3kq4 n THR 1313Ca 0.05 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3kq4 n THR 1313Cb 0.48 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 3kq4 n THR 1313CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3kq4 n THR 1314N -1.08 0.00 -1.96 4.28 -1.04 -1.26 -2.67 114.28 110.55 3kq4 n THR 1314Ca 0.11 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.89 3kq4 n THR 1314Cb 0.42 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.96 3kq4 n THR 1314CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kq4 n GLY 1315N 0.00 6.31 0.00 3.41 0.00 -1.26 -4.93 105.19 108.71 3kq4 n GLY 1315Ca 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 43.45 3kq4 n GLY 1315CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kq4 n ASN 1316N -0.75 0.00 -0.47 1.61 3.02 -1.09 -5.02 115.26 112.56 3kq4 n ASN 1316Ca 0.44 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 3kq4 n ASN 1316Cb 0.94 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.11 3kq4 n ASN 1316CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kq4 n THR 1317N -0.98 0.00 -3.61 3.41 -2.24 -1.26 -3.76 114.28 105.85 3kq4 n THR 1317Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 3kq4 n THR 1317Cb 0.00 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 3kq4 n THR 1317CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kq4 s VAL 1318N -1.49 -0.23 0.37 2.28 1.01 -1.26 -3.93 120.40 117.15 3kq4 s VAL 1318Ca 0.00 0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.87 3kq4 s VAL 1318Cb 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 36.38 35.84 3kq4 s VAL 1318CO 0.00 -0.03 0.97 0.20 0.00 0.00 0.00 175.10 176.24 3kq4 s ASN 1319N 2.26 7.09 0.32 3.32 -0.87 -1.26 -2.05 114.94 123.75 3kq4 s ASN 1319Ca 0.04 1.85 0.07 0.00 -1.57 0.00 0.00 52.86 53.25 3kq4 s ASN 1319Cb -0.14 -2.57 -0.02 0.00 -0.02 0.00 0.00 41.25 38.50 3kq4 s ASN 1319CO -0.08 -0.25 0.36 -0.31 -2.57 0.00 0.00 177.10 174.25 3kq4 s TYR 1320N -1.76 3.06 -0.28 2.20 2.02 0.32 -3.17 117.35 119.74 3kq4 s TYR 1320Ca 0.55 -0.22 -0.25 0.00 -0.37 0.00 0.00 57.07 56.78 3kq4 s TYR 1320Cb -0.17 -1.82 0.11 0.00 -0.40 0.00 0.00 41.96 39.68 3kq4 s TYR 1320CO 0.22 0.16 0.94 0.99 -1.57 0.00 0.00 175.55 176.29 3kq4 s THR 1321N -2.21 0.00 0.19 -0.71 2.01 -1.25 -3.52 115.64 110.15 3kq4 s THR 1321Ca 0.41 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.45 3kq4 s THR 1321Cb -0.08 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 3kq4 s THR 1321CO 0.28 0.00 0.28 -0.36 -0.69 0.00 0.00 174.62 174.13 3kq4 s PHE 1322N 0.30 3.40 0.00 4.92 0.08 -1.26 -1.24 117.98 124.18 3kq4 s PHE 1322Ca 0.02 0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.11 3kq4 s PHE 1322Cb -0.05 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 3kq4 s PHE 1322CO -0.04 0.49 0.00 1.28 -0.10 0.00 0.00 175.22 176.85 3kq4 n LEU 1323N -0.82 0.57 -3.80 -0.37 4.32 -0.27 -4.93 117.00 111.69 3kq4 n LEU 1323Ca -0.08 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.79 3kq4 n LEU 1323Cb 0.55 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.24 3kq4 n LEU 1323CO 0.46 0.09 -0.10 0.00 -1.22 0.00 0.00 177.39 176.63 3kq4 s ALA 1324N -1.66 -0.57 -0.17 -1.18 0.00 -1.08 -4.94 121.76 112.17 3kq4 s ALA 1324Ca 0.00 0.45 -0.13 0.00 0.00 0.00 0.00 51.96 52.28 3kq4 s ALA 1324Cb 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.95 3kq4 s ALA 1324CO 0.00 -0.16 0.43 0.12 0.00 0.00 0.00 175.76 176.15 3kq4 s PHE 1325N -0.42 -0.53 -0.38 0.00 5.36 -1.26 -1.63 117.98 119.12 3kq4 s PHE 1325Ca -0.05 1.22 -0.04 0.00 -0.96 0.00 0.00 56.93 57.10 3kq4 s PHE 1325Cb -0.04 0.21 0.21 0.00 -0.34 0.00 0.00 43.02 43.06 3kq4 s PHE 1325CO 0.01 -0.28 1.02 0.34 -1.46 0.00 0.00 175.22 174.85 3kq4 s ASP 1326N 0.71 -0.53 0.43 6.13 2.15 -0.62 -4.64 116.67 120.30 3kq4 s ASP 1326Ca -0.04 -0.59 0.07 0.00 0.43 0.00 0.00 52.55 52.42 3kq4 s ASP 1326Cb -0.05 0.69 -0.02 0.00 -0.30 0.00 0.00 42.92 43.24 3kq4 s ASP 1326CO -0.05 -0.02 0.33 -0.76 -0.17 0.00 0.00 175.17 174.50 3kq4 s LEU 1327N 1.06 3.26 0.00 -1.34 1.43 0.07 -2.70 118.68 120.46 3kq4 s LEU 1327Ca 0.24 -0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 3kq4 s LEU 1327Cb 0.09 -1.81 0.22 0.00 0.03 0.00 0.00 46.19 44.71 3kq4 s LEU 1327CO -0.10 -0.67 0.49 -0.62 0.23 0.00 0.00 176.35 175.67 3kq4 n GLU 1328N -1.49 -3.03 -5.09 1.70 1.02 -1.26 -3.71 120.64 108.77 3kq4 n GLU 1328Ca 0.02 -0.82 -0.29 0.00 -0.02 0.00 0.00 57.16 56.06 3kq4 n GLU 1328Cb 0.63 -1.17 -0.16 0.00 -0.02 0.00 0.00 31.44 30.73 3kq4 n GLU 1328CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3kq4 s HIS 1329N -1.66 2.05 0.00 -0.32 2.46 -1.26 -1.45 115.29 115.11 3kq4 s HIS 1329Ca 0.38 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.52 3kq4 s HIS 1329Cb -0.07 -1.31 0.00 0.00 -0.13 0.00 0.00 32.58 31.08 3kq4 s HIS 1329CO 0.31 -0.02 0.00 1.58 -2.47 0.00 0.00 174.74 174.15 3kq4 n HIS 1330N 2.43 0.00 -3.69 3.88 -0.00 -1.26 -4.85 115.22 111.74 3kq4 n HIS 1330Ca -0.16 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.33 3kq4 n HIS 1330Cb 0.52 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.56 3kq4 n HIS 1330CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 3kq4 n ILE 1331N 0.00 -3.99 -3.70 3.57 2.08 -1.26 -2.73 119.36 113.33 3kq4 n ILE 1331Ca 0.00 -0.31 -0.24 0.00 0.56 0.00 0.00 62.75 62.75 3kq4 n ILE 1331Cb 0.00 -3.82 0.05 0.00 -0.75 0.00 0.00 39.64 35.12 3kq4 n ILE 1331CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3kq4 n ASN 1332N -3.01 -3.71 -4.31 4.38 3.02 -1.26 -1.71 115.26 108.66 3kq4 n ASN 1332Ca -0.18 -0.71 -0.31 0.00 -0.03 0.00 0.00 54.58 53.36 3kq4 n ASN 1332Cb 0.62 -4.41 -0.10 0.00 -0.61 0.00 0.00 39.78 35.29 3kq4 n ASN 1332CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kq4 n SER 1334N -2.89 0.76 0.00 0.00 3.41 -0.70 -4.66 113.62 109.55 3kq4 n SER 1334Ca -0.33 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 3kq4 n SER 1334Cb 0.70 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 65.52 3kq4 n SER 1334CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3kq4 n THR 1335N -1.01 0.00 -4.68 6.66 5.66 -1.25 -4.96 114.28 114.69 3kq4 n THR 1335Ca 0.03 0.13 -0.32 0.00 -3.05 0.00 0.00 64.05 60.85 3kq4 n THR 1335Cb 0.20 -0.29 -0.12 0.00 -1.55 0.00 0.00 70.33 68.58 3kq4 n THR 1335CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3kq4 s ASP 1336N -1.15 4.11 0.38 1.09 1.01 -1.26 -4.33 116.67 116.52 3kq4 s ASP 1336Ca 0.00 -0.27 -0.14 0.00 0.71 0.00 0.00 52.55 52.85 3kq4 s ASP 1336Cb 0.00 -0.82 0.05 0.00 1.01 0.00 0.00 42.92 43.16 3kq4 s ASP 1336CO 0.00 0.29 0.75 -0.72 0.21 0.00 0.00 175.17 175.70 3kq4 s TYR 1337N -0.88 0.24 -0.03 4.23 -0.85 0.34 -4.72 117.35 115.68 3kq4 s TYR 1337Ca 0.14 -0.86 0.00 0.00 -0.52 0.00 0.00 57.07 55.83 3kq4 s TYR 1337Cb -0.11 0.72 0.03 0.00 0.38 0.00 0.00 41.96 42.98 3kq4 s TYR 1337CO 0.04 -1.52 0.01 -1.17 -1.52 0.00 0.00 175.55 171.39 3kq4 s LEU 1338N -3.09 1.08 0.19 -3.49 0.20 -0.82 -0.55 118.68 112.20 3kq4 s LEU 1338Ca 0.17 -0.01 0.07 0.00 0.69 0.00 0.00 54.13 55.06 3kq4 s LEU 1338Cb -0.05 -0.19 -0.04 0.00 -0.43 0.00 0.00 46.19 45.48 3kq4 s LEU 1338CO 0.13 -0.12 0.03 -1.61 -0.29 0.00 0.00 176.35 174.49 3kq4 s GLU 1339N 1.11 2.49 0.05 1.98 2.02 0.43 -1.16 118.70 125.63 3kq4 s GLU 1339Ca -0.09 -1.12 0.08 0.00 0.02 0.00 0.00 54.97 53.87 3kq4 s GLU 1339Cb -0.13 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.69 3kq4 s GLU 1339CO -0.02 0.44 -0.22 -0.51 0.02 0.00 0.00 175.26 174.98 3kq4 s LEU 1340N -3.13 2.19 -0.01 1.80 1.43 -0.93 -1.32 118.68 118.70 3kq4 s LEU 1340Ca 0.29 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 3kq4 s LEU 1340Cb -0.09 -1.00 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 3kq4 s LEU 1340CO 0.20 0.16 -0.06 -0.31 0.23 0.00 0.00 176.35 176.57 3kq4 s TYR 1341N -0.85 0.54 -0.71 0.29 1.51 -0.30 -1.45 117.35 116.39 3kq4 s TYR 1341Ca 0.08 -0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 55.93 3kq4 s TYR 1341Cb -0.09 -0.38 0.18 0.00 -0.11 0.00 0.00 41.96 41.57 3kq4 s TYR 1341CO 0.02 -0.03 0.61 0.34 -1.11 0.00 0.00 175.55 175.38 3kq4 s ASP 1342N 0.02 6.18 1.88 2.29 3.68 0.86 -2.59 116.67 128.99 3kq4 s ASP 1342Ca 0.00 -2.56 0.00 0.00 2.13 0.00 0.00 52.55 52.12 3kq4 s ASP 1342Cb -0.04 -2.09 0.00 0.00 -1.45 0.00 0.00 42.92 39.34 3kq4 s ASP 1342CO -0.00 -0.56 0.00 0.61 0.13 0.00 0.00 175.17 175.35 3kq4 n GLY 1343N 4.07 4.15 0.14 2.66 0.00 -0.84 -1.52 105.19 113.85 3kq4 n GLY 1343Ca 0.07 0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.30 3kq4 n GLY 1343CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kq4 h PRO 1344N 0.00 0.00 -6.32 1.61 0.11 -1.93 -3.45 132.00 122.03 3kq4 h PRO 1344Ca 0.00 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.57 3kq4 h PRO 1344Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3kq4 h PRO 1344CO 0.00 0.47 0.21 -0.98 -0.21 0.00 0.00 178.00 177.50 3kq4 s ARG 1345N -2.97 4.53 -0.04 1.05 1.70 -0.57 -5.03 118.95 117.62 3kq4 s ARG 1345Ca 0.04 1.16 -0.27 0.00 -0.47 0.00 0.00 55.73 56.18 3kq4 s ARG 1345Cb 0.08 -3.39 -0.03 0.00 -0.57 0.00 0.00 34.95 31.03 3kq4 s ARG 1345CO 0.75 0.19 0.86 -1.14 -1.08 0.00 0.00 175.30 174.87 3kq4 s GLN 1346N 0.24 4.49 0.00 3.89 0.74 -1.26 -0.10 119.66 127.66 3kq4 s GLN 1346Ca 0.42 1.17 0.22 0.00 0.05 0.00 0.00 55.36 57.22 3kq4 s GLN 1346Cb -0.21 -3.47 -0.02 0.00 1.10 0.00 0.00 33.01 30.42 3kq4 s GLN 1346CO 0.24 -0.04 1.04 -1.33 -0.55 0.00 0.00 175.29 174.66 3kq4 n MET 1347N 4.00 0.02 0.00 1.67 2.81 -0.53 -4.94 117.12 120.15 3kq4 n MET 1347Ca 0.03 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 3kq4 n MET 1347Cb 0.51 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 3kq4 n MET 1347CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kq4 n GLY 1348N 1.49 2.33 2.84 3.03 0.00 -1.25 -4.96 105.19 108.69 3kq4 n GLY 1348Ca 0.04 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 3kq4 n GLY 1348CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kq4 s ARG 1349N -2.01 0.83 0.16 1.61 3.52 -1.26 -2.20 118.95 119.60 3kq4 s ARG 1349Ca 0.00 -0.04 0.07 0.00 -0.13 0.00 0.00 55.73 55.63 3kq4 s ARG 1349Cb 0.00 -1.00 -0.04 0.00 -1.56 0.00 0.00 34.95 32.35 3kq4 s ARG 1349CO 0.00 -0.20 -0.15 0.71 -0.81 0.00 0.00 175.30 174.85 3kq4 s TYR 1350N 1.45 1.62 0.00 5.12 2.02 -0.31 -4.97 117.35 122.28 3kq4 s TYR 1350Ca -0.02 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 3kq4 s TYR 1350Cb -0.13 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.62 3kq4 s TYR 1350CO -0.03 0.26 0.00 0.00 -1.57 0.00 0.00 175.55 174.21 3kq4 n GLY 1352N 0.00 -1.76 0.92 0.00 0.00 -0.53 -4.07 105.19 99.76 3kq4 n GLY 1352Ca 0.00 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 44.65 3kq4 n GLY 1352CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3kq4 n VAL 1353N 0.00 1.48 -2.61 1.61 3.14 -1.26 -0.75 118.33 119.94 3kq4 n VAL 1353Ca 0.00 -1.26 -0.43 0.00 -2.96 0.00 0.00 64.34 59.69 3kq4 n VAL 1353Cb 0.00 0.24 -0.02 0.00 -1.06 0.00 0.00 33.84 33.00 3kq4 n VAL 1353CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 3kq4 s ASP 1354N -1.22 7.15 -0.12 6.55 1.01 -1.26 -4.74 116.67 124.04 3kq4 s ASP 1354Ca 0.35 1.59 -0.29 0.00 0.71 0.00 0.00 52.55 54.90 3kq4 s ASP 1354Cb 0.22 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.57 3kq4 s ASP 1354CO 0.17 -0.54 1.46 -0.22 0.21 0.00 0.00 175.17 176.24 3kq4 s LEU 1355N 2.35 4.22 0.79 1.23 2.96 -1.26 -4.84 118.68 124.12 3kq4 s LEU 1355Ca 0.50 1.91 -0.11 0.00 -0.22 0.00 0.00 54.13 56.21 3kq4 s LEU 1355Cb -0.20 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.03 3kq4 s LEU 1355CO 0.17 -0.87 1.11 -2.84 -1.32 0.00 0.00 176.35 172.60 3kq4 s PRO 1356N 3.83 2.02 0.72 0.98 0.02 -1.26 -5.02 135.00 136.29 3kq4 s PRO 1356Ca 0.64 1.31 -0.15 0.00 0.02 0.00 0.00 61.00 62.82 3kq4 s PRO 1356Cb -0.27 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.42 3kq4 s PRO 1356CO 0.22 -1.84 1.18 -1.25 -0.33 0.00 0.00 177.00 174.98 3kq4 s PRO 1357N -4.70 2.28 1.22 5.54 0.04 -1.26 -4.46 135.00 133.65 3kq4 s PRO 1357Ca 0.64 1.67 -0.18 0.00 0.04 0.00 0.00 61.00 63.16 3kq4 s PRO 1357Cb -0.19 -1.86 0.28 0.00 0.04 0.00 0.00 34.50 32.77 3kq4 s PRO 1357CO 0.54 -1.71 0.63 -2.30 0.04 0.00 0.00 177.00 174.21 3kq4 n PRO 1358N -2.67 -3.03 -3.15 0.56 -0.02 -1.26 -4.68 135.00 120.75 3kq4 n PRO 1358Ca 0.13 -1.06 0.00 0.00 -2.02 0.00 0.00 63.50 60.54 3kq4 n PRO 1358Cb 0.51 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 3kq4 n PRO 1358CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kq4 n GLY 1359N -3.41 -1.35 3.51 -1.23 0.00 -1.23 -4.91 105.19 96.57 3kq4 n GLY 1359Ca 0.10 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 3kq4 n GLY 1359CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kq4 s SER 1360N -0.49 -0.63 0.27 1.61 0.01 -1.26 -0.52 113.70 112.68 3kq4 s SER 1360Ca 0.00 1.22 -0.29 0.00 1.31 0.00 0.00 55.95 58.19 3kq4 s SER 1360Cb 0.00 1.24 -0.09 0.00 0.21 0.00 0.00 66.02 67.37 3kq4 s SER 1360CO 0.00 -0.21 1.03 0.42 0.41 0.00 0.00 173.24 174.89 3kq4 s THR 1361N 0.34 3.75 -2.02 1.44 -4.23 -0.87 -4.90 115.64 109.15 3kq4 s THR 1361Ca -0.00 1.74 0.29 0.00 -1.18 0.00 0.00 61.69 62.54 3kq4 s THR 1361Cb -0.04 -4.09 0.60 0.00 1.34 0.00 0.00 72.50 70.31 3kq4 s THR 1361CO 0.01 0.39 1.91 0.35 -0.54 0.00 0.00 174.62 176.74 3kq4 n THR 1362N 1.24 0.00 -3.93 3.99 -2.24 -1.26 -4.25 114.28 107.82 3kq4 n THR 1362Ca -0.01 -0.11 -0.22 0.00 -2.27 0.00 0.00 64.05 61.44 3kq4 n THR 1362Cb 0.46 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 3kq4 n THR 1362CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kq4 n SER 1363N -0.59 2.56 -0.00 3.42 2.88 -1.26 -4.98 113.62 115.64 3kq4 n SER 1363Ca 0.18 -2.61 0.10 0.00 -1.33 0.00 0.00 58.87 55.21 3kq4 n SER 1363Cb 0.26 0.01 -0.12 0.00 -0.75 0.00 0.00 64.21 63.61 3kq4 n SER 1363CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3kq4 n SER 1364N -1.78 0.89 -4.82 -3.46 3.41 -1.25 -4.09 113.62 102.52 3kq4 n SER 1364Ca -0.04 -0.88 -0.38 0.00 -0.26 0.00 0.00 58.87 57.31 3kq4 n SER 1364Cb 0.52 1.11 -0.06 0.00 -0.26 0.00 0.00 64.21 65.52 3kq4 n SER 1364CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kq4 s LYS 1365N -3.05 3.95 -0.27 4.33 -0.14 -1.26 -0.97 119.74 122.34 3kq4 s LYS 1365Ca 0.06 0.34 -0.03 0.00 -1.36 0.00 0.00 55.97 54.99 3kq4 s LYS 1365Cb 0.16 -3.26 0.11 0.00 -1.68 0.00 0.00 37.83 33.16 3kq4 s LYS 1365CO 0.87 0.61 0.21 -1.17 -0.76 0.00 0.00 175.35 175.11 3kq4 s LEU 1366N -0.78 0.10 -0.11 3.17 1.98 -1.04 -1.99 118.68 120.02 3kq4 s LEU 1366Ca 0.23 -0.84 -0.13 0.00 -2.89 0.00 0.00 54.13 50.50 3kq4 s LEU 1366Cb -0.16 0.12 -0.05 0.00 0.66 0.00 0.00 46.19 46.77 3kq4 s LEU 1366CO 0.11 -0.39 0.29 -1.10 -1.89 0.00 0.00 176.35 173.37 3kq4 s GLN 1367N 2.25 3.99 -0.18 1.98 -0.21 -1.07 -1.18 119.66 125.24 3kq4 s GLN 1367Ca 0.08 0.13 -0.01 0.00 0.02 0.00 0.00 55.36 55.58 3kq4 s GLN 1367Cb -0.15 -3.32 -0.00 0.00 1.00 0.00 0.00 33.01 30.54 3kq4 s GLN 1367CO -0.29 0.48 -0.12 0.14 -2.12 0.00 0.00 175.29 173.39 3kq4 s VAL 1368N -0.28 2.90 -0.15 1.09 -7.23 0.57 -1.15 120.40 116.14 3kq4 s VAL 1368Ca 0.18 -0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 59.66 3kq4 s VAL 1368Cb -0.14 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 3kq4 s VAL 1368CO 0.06 0.49 -0.11 -0.76 -0.31 0.00 0.00 175.10 174.47 3kq4 s LEU 1369N 1.02 2.76 -0.27 1.32 1.43 -0.44 -1.50 118.68 123.00 3kq4 s LEU 1369Ca -0.01 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3kq4 s LEU 1369Cb -0.15 -1.64 0.07 0.00 0.03 0.00 0.00 46.19 44.51 3kq4 s LEU 1369CO -0.02 0.12 -0.02 -0.22 0.23 0.00 0.00 176.35 176.44 3kq4 s LEU 1370N 0.62 3.16 -0.23 1.79 2.96 -0.75 0.16 118.68 126.39 3kq4 s LEU 1370Ca -0.06 -1.48 -0.10 0.00 -0.22 0.00 0.00 54.13 52.26 3kq4 s LEU 1370Cb -0.15 -1.31 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 3kq4 s LEU 1370CO 0.03 -0.28 0.14 -0.76 -1.32 0.00 0.00 176.35 174.16 3kq4 s LEU 1371N 1.26 4.09 0.05 -0.68 1.02 0.29 -2.29 118.68 122.43 3kq4 s LEU 1371Ca -0.01 0.12 0.07 0.00 0.02 0.00 0.00 54.13 54.33 3kq4 s LEU 1371Cb -0.19 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 43.91 3kq4 s LEU 1371CO -0.09 0.09 -0.20 0.28 0.02 0.00 0.00 176.35 176.46 3kq4 s THR 1372N 0.89 1.57 0.00 5.49 -1.32 -0.90 -0.51 115.64 120.86 3kq4 s THR 1372Ca 0.07 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.32 3kq4 s THR 1372Cb -0.13 -1.39 0.00 0.00 -1.51 0.00 0.00 72.50 69.47 3kq4 s THR 1372CO 0.03 0.12 0.00 -0.90 -2.21 0.00 0.00 174.62 171.66 3kq4 n ASP 1373N 1.71 0.12 -1.40 8.08 5.75 -1.26 -2.73 116.55 126.82 3kq4 n ASP 1373Ca -0.18 -0.81 0.05 0.00 -0.01 0.00 0.00 54.79 53.84 3kq4 n ASP 1373Cb 0.54 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.89 3kq4 n ASP 1373CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kq4 n GLY 1374N 5.00 2.45 3.28 6.12 0.00 -1.26 -2.19 105.19 118.59 3kq4 n GLY 1374Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 3kq4 n GLY 1374CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kq4 s VAL 1375N -2.13 0.07 -0.29 1.61 -7.23 -1.26 -4.98 120.40 106.18 3kq4 s VAL 1375Ca 0.35 -1.62 -0.30 0.00 -1.81 0.00 0.00 61.98 58.60 3kq4 s VAL 1375Cb 0.27 -1.99 0.19 0.00 0.56 0.00 0.00 36.38 35.41 3kq4 s VAL 1375CO 0.10 -0.31 1.38 -0.83 -0.31 0.00 0.00 175.10 175.14 3kq4 s GLY 1376N -3.02 0.08 0.00 2.32 0.00 -1.26 -4.92 107.32 100.52 3kq4 s GLY 1376Ca 0.22 2.79 0.27 0.00 0.00 0.00 0.00 44.72 48.00 3kq4 s GLY 1376CO 0.02 1.07 1.93 -0.96 0.00 0.00 0.00 173.10 175.16 3kq4 n ARG 1377N 0.47 0.65 -1.41 2.90 -4.01 -1.26 -4.88 116.66 109.12 3kq4 n ARG 1377Ca 0.01 0.02 0.00 0.00 -1.04 0.00 0.00 57.85 56.84 3kq4 n ARG 1377Cb 0.59 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.51 3kq4 n ARG 1377CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 3kq4 n ARG 1378N -1.12 0.00 -2.80 2.89 5.12 -1.26 -5.04 116.66 114.45 3kq4 n ARG 1378Ca 0.17 0.10 -0.36 0.00 -1.93 0.00 0.00 57.85 55.82 3kq4 n ARG 1378Cb 0.14 -1.41 -0.06 0.00 -1.16 0.00 0.00 32.46 29.96 3kq4 n ARG 1378CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 3kq4 s GLU 1379N -2.94 4.52 0.07 5.56 1.03 -1.26 -4.72 118.70 120.96 3kq4 s GLU 1379Ca 0.00 1.28 -0.18 0.00 0.03 0.00 0.00 54.97 56.10 3kq4 s GLU 1379Cb 0.00 -2.72 -0.12 0.00 -0.80 0.00 0.00 34.13 30.50 3kq4 s GLU 1379CO 0.00 0.24 1.39 0.87 -1.33 0.00 0.00 175.26 176.43 3kq4 h LYS 1380N 3.01 0.49 0.00 -4.83 1.79 -1.84 -2.57 116.57 112.62 3kq4 h LYS 1380Ca -0.47 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 57.75 3kq4 h LYS 1380Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3kq4 h LYS 1380CO 0.64 0.82 0.00 0.41 -1.08 0.00 0.00 179.45 180.24 3kq4 n GLY 1381N 0.13 0.34 3.61 3.86 0.00 -1.10 -3.71 105.19 108.32 3kq4 n GLY 1381Ca -0.05 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 3kq4 n GLY 1381CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kq4 s PHE 1382N -1.72 0.07 -0.15 1.61 -0.12 -1.26 -1.60 117.98 114.82 3kq4 s PHE 1382Ca 0.00 -0.45 -0.11 0.00 -0.05 0.00 0.00 56.93 56.32 3kq4 s PHE 1382Cb 0.00 0.36 0.05 0.00 -0.63 0.00 0.00 43.02 42.80 3kq4 s PHE 1382CO 0.00 -1.00 0.39 -1.14 -0.05 0.00 0.00 175.22 173.41 3kq4 s GLN 1383N -3.94 0.41 0.05 1.99 0.74 -0.65 -2.69 119.66 115.58 3kq4 s GLN 1383Ca 0.15 0.62 -0.18 0.00 0.05 0.00 0.00 55.36 56.00 3kq4 s GLN 1383Cb -0.02 0.11 0.04 0.00 1.10 0.00 0.00 33.01 34.24 3kq4 s GLN 1383CO 0.04 -0.10 0.42 0.00 -0.55 0.00 0.00 175.29 175.10 3kq4 s MET 1384N 0.68 0.93 0.38 1.67 0.23 -0.37 -1.12 119.30 121.71 3kq4 s MET 1384Ca -0.04 -0.37 -0.03 0.00 -1.03 0.00 0.00 55.69 54.23 3kq4 s MET 1384Cb -0.05 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 33.63 3kq4 s MET 1384CO -0.05 -0.32 0.64 -0.65 -2.03 0.00 0.00 175.02 172.61 3kq4 s GLN 1385N -2.51 3.54 0.06 3.16 -0.21 -0.37 -0.46 119.66 122.86 3kq4 s GLN 1385Ca -0.05 -0.06 -0.09 0.00 0.02 0.00 0.00 55.36 55.17 3kq4 s GLN 1385Cb -0.01 -2.55 0.00 0.00 1.00 0.00 0.00 33.01 31.45 3kq4 s GLN 1385CO -0.03 0.04 0.20 1.67 -2.12 0.00 0.00 175.29 175.05 3kq4 s TRP 1386N -2.42 0.08 0.00 0.91 -2.14 -0.73 -3.76 118.94 110.88 3kq4 s TRP 1386Ca 0.44 -0.38 0.00 0.00 2.66 0.00 0.00 56.10 58.81 3kq4 s TRP 1386Cb -0.10 -0.03 0.00 0.00 -3.10 0.00 0.00 33.47 30.24 3kq4 s TRP 1386CO 0.38 -0.48 0.00 1.19 -2.66 0.00 0.00 176.95 175.37 3kq4 n PHE 1387N 0.37 0.00 -1.92 1.66 3.72 -1.19 -3.31 117.46 116.79 3kq4 n PHE 1387Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3kq4 n PHE 1387Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 3kq4 n PHE 1387CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99