#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gax s PRO 13 N 0.00 3.94 0.16 1.61 0.02 -1.26 -4.81 135.00 134.66 3gax s PRO 13 Ca 0.00 1.75 0.05 0.00 0.02 0.00 0.00 61.00 62.82 3gax s PRO 13 Cb 0.00 -2.53 -0.04 0.00 0.02 0.00 0.00 34.50 31.95 3gax s PRO 13 CO 0.00 -0.39 0.09 0.00 -0.33 0.00 0.00 177.00 176.37 3gax s MET 14 N -2.51 2.74 0.50 5.54 0.23 0.20 -4.84 119.30 121.16 3gax s MET 14 Ca 0.60 -0.92 -0.23 0.00 -1.03 0.00 0.00 55.69 54.11 3gax s MET 14 Cb -0.28 -2.57 -0.07 0.00 -1.53 0.00 0.00 34.83 30.38 3gax s MET 14 CO 0.35 0.49 1.30 -0.25 -2.03 0.00 0.00 175.02 174.87 3gax n ASP 15 N -0.17 2.53 -3.70 -1.18 8.00 -1.26 -1.04 116.55 119.73 3gax n ASP 15 Ca -0.09 1.03 -0.15 0.00 0.71 0.00 0.00 54.79 56.28 3gax n ASP 15 Cb 0.54 -1.53 -0.08 0.00 -0.02 0.00 0.00 41.12 40.03 3gax n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gax s ALA 16 N -1.27 1.35 0.11 2.24 0.00 -0.23 -4.70 121.76 119.25 3gax s ALA 16 Ca 0.67 -1.80 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 3gax s ALA 16 Cb -0.45 1.38 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 3gax s ALA 16 CO 0.53 -0.66 0.11 -1.54 0.00 0.00 0.00 175.76 174.20 3gax s SER 17 N -3.26 0.26 0.19 0.00 1.04 -1.26 -4.30 113.70 106.38 3gax s SER 17 Ca 0.38 -0.96 0.20 0.00 0.48 0.00 0.00 55.95 56.06 3gax s SER 17 Cb 0.04 0.31 0.88 0.00 0.10 0.00 0.00 66.02 67.35 3gax s SER 17 CO 0.20 -0.73 1.63 0.55 0.98 0.00 0.00 173.24 175.86 3gax n VAL 18 N -0.06 0.93 0.30 5.02 3.14 -1.26 -1.50 118.33 124.90 3gax n VAL 18 Ca -0.10 0.29 0.18 0.00 -2.96 0.00 0.00 64.34 61.74 3gax n VAL 18 Cb 0.63 -1.18 0.95 0.00 -1.06 0.00 0.00 33.84 33.17 3gax n VAL 18 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3gax h GLU 19 N 0.00 0.00 -6.42 1.45 5.08 -2.00 -3.40 114.58 109.29 3gax h GLU 19 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3gax h GLU 19 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3gax h GLU 19 CO 0.00 0.03 0.54 -1.21 -1.00 0.00 0.00 179.01 177.38 3gax s GLU 20 N -4.16 4.45 0.24 2.33 2.02 -0.56 -4.96 118.70 118.05 3gax s GLU 20 Ca -0.03 1.65 -0.05 0.00 0.02 0.00 0.00 54.97 56.55 3gax s GLU 20 Cb 0.13 -3.43 0.39 0.00 0.10 0.00 0.00 34.13 31.32 3gax s GLU 20 CO 0.50 -0.25 1.77 1.49 0.02 0.00 0.00 175.26 178.80 3gax h GLU 21 N 6.96 0.60 -0.48 1.61 4.22 -1.87 -2.31 114.58 123.31 3gax h GLU 21 Ca -0.39 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 58.99 3gax h GLU 21 Cb 1.20 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3gax h GLU 21 CO 0.81 0.40 0.22 0.78 -2.18 0.00 0.00 179.01 179.04 3gax h GLY 22 N 0.62 0.74 0.58 1.92 0.00 -1.94 -1.31 103.07 103.68 3gax h GLY 22 Ca 0.38 -0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.39 3gax h GLY 22 CO -0.30 0.35 0.09 -2.08 0.00 0.00 0.00 176.54 174.61 3gax h VAL 23 N 0.63 0.83 -0.83 4.60 2.07 -1.74 0.32 116.25 122.12 3gax h VAL 23 Ca 0.16 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.62 3gax h VAL 23 Cb 0.13 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3gax h VAL 23 CO -0.02 0.04 0.55 0.03 0.02 0.00 0.00 177.57 178.19 3gax h ARG 24 N 0.22 1.08 -0.41 1.57 3.08 -1.11 0.92 114.38 119.73 3gax h ARG 24 Ca 0.18 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 3gax h ARG 24 Cb 0.20 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3gax h ARG 24 CO -0.22 0.71 0.10 0.00 -1.07 0.00 0.00 179.97 179.50 3gax h ARG 25 N 1.11 0.66 -0.70 0.04 3.08 -0.86 -1.32 114.38 116.39 3gax h ARG 25 Ca 0.31 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 3gax h ARG 25 Cb -0.12 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 3gax h ARG 25 CO -0.07 0.68 0.18 0.00 -1.07 0.00 0.00 179.97 179.68 3gax h ALA 26 N 0.95 0.98 -0.07 0.04 0.00 -0.62 -0.63 119.26 119.92 3gax h ALA 26 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gax h ALA 26 Cb 0.31 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gax h ALA 26 CO 0.00 0.66 0.04 1.25 0.00 0.00 0.00 179.25 181.20 3gax h LEU 27 N 1.06 0.06 -0.15 0.00 5.85 -0.54 -1.47 115.31 120.12 3gax h LEU 27 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3gax h LEU 27 Cb 0.36 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3gax h LEU 27 CO 0.00 0.05 0.09 -0.78 -0.34 0.00 0.00 178.44 177.46 3gax h ASP 28 N 0.08 0.15 -0.04 1.25 3.58 -1.07 -0.48 116.42 119.89 3gax h ASP 28 Ca 0.03 -0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.51 3gax h ASP 28 Cb -0.00 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 3gax h ASP 28 CO -0.01 0.11 -0.16 0.15 -2.88 0.00 0.00 179.24 176.45 3gax h PHE 29 N 0.19 -0.42 -0.40 0.28 3.57 -1.00 -0.59 116.94 118.56 3gax h PHE 29 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3gax h PHE 29 Cb -0.01 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3gax h PHE 29 CO -0.08 -0.24 0.19 0.00 -2.23 0.00 0.00 178.31 175.96 3gax h ALA 30 N 0.72 0.51 -0.58 2.41 0.00 -0.89 0.24 119.26 121.67 3gax h ALA 30 Ca 0.07 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3gax h ALA 30 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3gax h ALA 30 CO -0.19 0.07 0.08 0.28 0.00 0.00 0.00 179.25 179.49 3gax h VAL 31 N 0.50 1.26 -0.40 0.00 2.07 -1.05 -0.52 116.25 118.11 3gax h VAL 31 Ca 0.14 -1.00 0.08 0.00 0.82 0.00 0.00 66.70 66.74 3gax h VAL 31 Cb 0.11 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 3gax h VAL 31 CO -0.02 0.37 -0.14 1.23 0.02 0.00 0.00 177.57 179.03 3gax h GLY 32 N 0.86 0.21 0.96 2.17 0.00 -0.63 -0.92 103.07 105.73 3gax h GLY 32 Ca 0.17 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 3gax h GLY 32 CO 0.01 -0.17 0.19 0.83 0.00 0.00 0.00 176.54 177.40 3gax h GLU 33 N -0.05 0.50 -0.63 4.80 4.39 -0.72 -1.08 114.58 121.79 3gax h GLU 33 Ca 0.20 -0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.96 3gax h GLU 33 Cb 0.35 -0.10 -0.12 0.00 -0.10 0.00 0.00 28.75 28.78 3gax h GLU 33 CO -0.44 0.42 -0.19 -0.92 -1.16 0.00 0.00 179.01 176.72 3gax h TYR 34 N 0.46 -0.43 -0.31 4.33 5.03 -0.71 -0.44 116.97 124.90 3gax h TYR 34 Ca 0.13 0.06 -0.13 0.00 2.58 0.00 0.00 58.73 61.36 3gax h TYR 34 Cb 0.07 0.29 -0.00 0.00 1.55 0.00 0.00 36.73 38.63 3gax h TYR 34 CO -0.03 -0.30 -0.32 -0.91 -1.32 0.00 0.00 178.16 175.29 3gax h ASN 35 N -0.03 0.83 -0.35 -2.11 2.35 -1.01 -2.09 115.58 113.16 3gax h ASN 35 Ca 0.30 -0.47 0.04 0.00 -0.55 0.00 0.00 56.30 55.61 3gax h ASN 35 Cb 0.49 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 3gax h ASN 35 CO -0.66 1.13 0.14 0.50 -1.65 0.00 0.00 177.43 176.88 3gax h LYS 36 N 0.54 0.29 0.00 0.81 3.64 -0.83 -2.91 116.57 118.10 3gax h LYS 36 Ca 0.05 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3gax h LYS 36 Cb 0.90 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3gax h LYS 36 CO 0.08 0.19 -0.07 0.00 -2.27 0.00 0.00 179.45 177.37 3gax h ALA 37 N 1.21 1.06 -2.31 5.00 0.00 -0.96 -3.46 119.26 119.80 3gax h ALA 37 Ca 0.16 -0.07 -0.50 0.00 0.00 0.00 0.00 54.91 54.50 3gax h ALA 37 Cb 0.11 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.92 3gax h ALA 37 CO -0.15 0.09 0.17 -1.54 0.00 0.00 0.00 179.25 177.83 3gax s SER 38 N -5.83 6.34 0.00 0.00 1.04 -0.80 -4.96 113.70 109.49 3gax s SER 38 Ca -0.00 1.09 0.25 0.00 0.48 0.00 0.00 55.95 57.77 3gax s SER 38 Cb 0.10 -2.31 0.76 0.00 0.10 0.00 0.00 66.02 64.67 3gax s SER 38 CO 0.56 -0.58 1.58 0.59 0.98 0.00 0.00 173.24 176.36 3gax n ASN 39 N -2.06 2.00 -4.78 7.02 5.03 -1.26 -4.93 115.26 116.29 3gax n ASN 39 Ca 0.02 -1.69 -0.41 0.00 0.87 0.00 0.00 54.58 53.38 3gax n ASN 39 Cb 0.55 -0.04 -0.01 0.00 -1.02 0.00 0.00 39.78 39.26 3gax n ASN 39 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gax s ASP 40 N -1.87 6.48 0.41 6.41 -1.08 -1.26 -4.90 116.67 120.85 3gax s ASP 40 Ca 0.35 2.94 0.22 0.00 -0.52 0.00 0.00 52.55 55.53 3gax s ASP 40 Cb 0.20 -2.66 0.67 0.00 -1.46 0.00 0.00 42.92 39.67 3gax s ASP 40 CO 0.31 -0.77 1.72 -0.03 0.52 0.00 0.00 175.17 176.92 3gax h MET 41 N 3.13 0.00 -6.20 4.34 1.85 -1.98 -3.46 114.93 112.61 3gax h MET 41 Ca -0.50 0.00 -0.52 0.00 -0.61 0.00 0.00 59.70 58.06 3gax h MET 41 Cb 1.23 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 33.20 3gax h MET 41 CO 0.65 0.26 -0.56 0.71 -0.40 0.00 0.00 176.91 177.56 3gax s TYR 42 N -3.44 2.99 0.20 1.39 2.02 -1.26 -0.87 117.35 118.38 3gax s TYR 42 Ca 0.02 -0.14 -0.28 0.00 -0.37 0.00 0.00 57.07 56.30 3gax s TYR 42 Cb 0.09 -1.35 -0.08 0.00 -0.40 0.00 0.00 41.96 40.22 3gax s TYR 42 CO 0.66 0.55 0.89 -1.58 -1.57 0.00 0.00 175.55 174.50 3gax s HIS 43 N -2.16 3.94 0.09 2.71 5.65 -0.24 -4.74 115.29 120.55 3gax s HIS 43 Ca 0.32 1.81 0.06 0.00 0.25 0.00 0.00 55.06 57.51 3gax s HIS 43 Cb -0.08 -2.92 -0.04 0.00 -1.18 0.00 0.00 32.58 28.36 3gax s HIS 43 CO 0.23 0.44 -0.08 -1.12 -0.65 0.00 0.00 174.74 173.56 3gax s SER 44 N -0.99 4.50 0.07 9.88 0.01 -1.26 -1.21 113.70 124.70 3gax s SER 44 Ca 0.40 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.33 3gax s SER 44 Cb -0.25 -0.91 -0.04 0.00 0.21 0.00 0.00 66.02 65.04 3gax s SER 44 CO 0.30 0.18 -0.05 -0.13 0.41 0.00 0.00 173.24 173.95 3gax s ARG 45 N -2.17 0.66 -0.32 12.44 0.52 -0.38 -4.93 118.95 124.78 3gax s ARG 45 Ca 0.22 -1.16 -0.29 0.00 -0.52 0.00 0.00 55.73 53.98 3gax s ARG 45 Cb -0.11 -0.02 -0.01 0.00 0.52 0.00 0.00 34.95 35.32 3gax s ARG 45 CO 0.14 -0.05 1.68 0.00 0.02 0.00 0.00 175.30 177.09 3gax s ALA 46 N -3.30 2.99 -0.34 2.13 0.00 -1.26 -0.36 121.76 121.61 3gax s ALA 46 Ca 0.05 0.22 0.23 0.00 0.00 0.00 0.00 51.96 52.46 3gax s ALA 46 Cb 0.03 -3.97 0.18 0.00 0.00 0.00 0.00 23.12 19.36 3gax s ALA 46 CO -0.06 -2.44 1.34 0.00 0.00 0.00 0.00 175.76 174.60 3gax s GLN 48 N -3.28 0.33 -0.37 0.00 0.74 -1.16 -5.01 119.66 110.90 3gax s GLN 48 Ca 0.03 0.64 -0.16 0.00 0.05 0.00 0.00 55.36 55.92 3gax s GLN 48 Cb 0.07 -0.02 0.00 0.00 1.10 0.00 0.00 33.01 34.16 3gax s GLN 48 CO 0.73 -0.14 0.40 0.08 -0.55 0.00 0.00 175.29 175.81 3gax s VAL 49 N 1.14 5.12 -0.12 1.34 1.01 -1.26 -0.29 120.40 127.34 3gax s VAL 49 Ca -0.08 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 3gax s VAL 49 Cb -0.08 -3.92 -0.26 0.00 0.00 0.00 0.00 36.38 32.12 3gax s VAL 49 CO -0.09 -0.23 0.52 0.58 0.00 0.00 0.00 175.10 175.88 3gax h VAL 50 N 5.62 1.03 -2.89 2.92 2.07 -0.92 -3.47 116.25 120.61 3gax h VAL 50 Ca -0.28 -2.37 -0.13 0.00 0.82 0.00 0.00 66.70 64.73 3gax h VAL 50 Cb 1.13 2.68 -0.24 0.00 -1.52 0.00 0.00 31.29 33.34 3gax h VAL 50 CO 0.74 0.67 -0.29 -0.60 0.02 0.00 0.00 177.57 178.11 3gax s ARG 51 N -2.46 0.47 -0.03 1.57 3.52 -0.94 -4.99 118.95 116.09 3gax s ARG 51 Ca -0.21 0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.78 3gax s ARG 51 Cb 0.04 0.22 0.01 0.00 -1.56 0.00 0.00 34.95 33.67 3gax s ARG 51 CO 0.74 -0.08 -0.08 0.00 -0.81 0.00 0.00 175.30 175.08 3gax s ALA 52 N -0.11 0.81 0.23 6.12 0.00 -1.26 -1.06 121.76 126.48 3gax s ALA 52 Ca -0.03 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.70 3gax s ALA 52 Cb -0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 3gax s ALA 52 CO 0.01 0.09 0.08 1.03 0.00 0.00 0.00 175.76 176.98 3gax s ARG 53 N 0.43 1.29 0.10 0.00 0.52 0.01 -1.07 118.95 120.24 3gax s ARG 53 Ca -0.07 -1.68 -0.23 0.00 -0.52 0.00 0.00 55.73 53.23 3gax s ARG 53 Cb -0.11 -0.15 0.06 0.00 0.52 0.00 0.00 34.95 35.28 3gax s ARG 53 CO 0.01 -0.28 0.57 -1.59 0.02 0.00 0.00 175.30 174.02 3gax s LYS 54 N -4.03 1.17 -0.04 3.54 -2.85 -0.21 -0.95 119.74 116.36 3gax s LYS 54 Ca 0.35 -0.35 -0.03 0.00 -1.00 0.00 0.00 55.97 54.94 3gax s LYS 54 Cb 0.07 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.39 3gax s LYS 54 CO 0.11 -0.47 0.10 -1.14 0.10 0.00 0.00 175.35 174.05 3gax s GLN 55 N -3.12 0.10 -0.12 1.78 0.74 -0.31 0.63 119.66 119.35 3gax s GLN 55 Ca -0.02 0.17 -0.19 0.00 0.05 0.00 0.00 55.36 55.37 3gax s GLN 55 Cb -0.00 0.00 -0.04 0.00 1.10 0.00 0.00 33.01 34.07 3gax s GLN 55 CO -0.07 -0.04 0.50 0.42 -0.55 0.00 0.00 175.29 175.54 3gax s ILE 56 N 0.27 5.17 0.00 -2.34 -1.09 -1.26 -1.09 121.20 120.86 3gax s ILE 56 Ca -0.02 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 3gax s ILE 56 Cb -0.03 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 3gax s ILE 56 CO -0.01 0.30 0.00 1.33 -1.23 0.00 0.00 174.94 175.34 3gax n VAL 57 N 3.77 0.00 -1.10 2.92 0.24 -1.26 -4.98 118.33 117.93 3gax n VAL 57 Ca -0.06 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.82 3gax n VAL 57 Cb 0.51 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.83 3gax n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gax n ALA 58 N -3.00 3.39 0.00 2.33 0.00 -1.26 -4.74 120.51 117.23 3gax n ALA 58 Ca 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 53.44 50.26 3gax n ALA 58 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 15.87 3gax n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gax n GLY 59 N 4.47 0.56 2.90 0.00 0.00 -1.26 -4.86 105.19 106.99 3gax n GLY 59 Ca 0.49 -2.25 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 3gax n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gax s VAL 60 N -0.30 0.57 -0.19 1.61 1.01 0.26 -4.54 120.40 118.83 3gax s VAL 60 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 3gax s VAL 60 Cb 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 3gax s VAL 60 CO 0.00 0.24 0.27 0.20 0.00 0.00 0.00 175.10 175.80 3gax s ASN 61 N 0.95 6.34 -0.11 3.32 0.01 -0.25 0.34 114.94 125.55 3gax s ASN 61 Ca -0.10 0.39 -0.03 0.00 -0.71 0.00 0.00 52.86 52.40 3gax s ASN 61 Cb -0.14 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 3gax s ASN 61 CO -0.00 0.06 0.01 -0.31 -1.51 0.00 0.00 177.10 175.35 3gax s TYR 62 N 0.77 3.18 -0.23 2.20 2.02 0.73 -1.17 117.35 124.86 3gax s TYR 62 Ca 0.14 0.14 0.02 0.00 -0.37 0.00 0.00 57.07 57.00 3gax s TYR 62 Cb -0.13 -1.85 0.05 0.00 -0.40 0.00 0.00 41.96 39.62 3gax s TYR 62 CO 0.04 0.39 -0.13 -0.06 -1.57 0.00 0.00 175.55 174.21 3gax s PHE 63 N -0.59 2.98 -0.09 2.71 0.08 -0.13 -0.71 117.98 122.23 3gax s PHE 63 Ca 0.10 -2.01 0.02 0.00 0.12 0.00 0.00 56.93 55.16 3gax s PHE 63 Cb -0.12 -1.87 0.01 0.00 -0.57 0.00 0.00 43.02 40.47 3gax s PHE 63 CO 0.02 -0.84 -0.15 -0.51 -0.10 0.00 0.00 175.22 173.64 3gax s LEU 64 N 1.21 1.73 -0.26 -0.37 1.43 -0.34 -0.81 118.68 121.26 3gax s LEU 64 Ca -0.04 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 52.59 3gax s LEU 64 Cb -0.17 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 3gax s LEU 64 CO -0.08 0.04 0.09 -1.81 0.23 0.00 0.00 176.35 174.82 3gax s ASP 65 N 0.79 5.29 0.07 2.29 1.01 -0.23 -0.50 116.67 125.41 3gax s ASP 65 Ca -0.11 -0.18 0.03 0.00 0.71 0.00 0.00 52.55 53.00 3gax s ASP 65 Cb -0.16 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.78 3gax s ASP 65 CO 0.02 -0.04 -0.10 0.68 0.21 0.00 0.00 175.17 175.94 3gax s VAL 66 N 1.64 0.80 -0.17 -1.27 -7.23 0.16 -0.18 120.40 114.15 3gax s VAL 66 Ca 0.06 -1.42 -0.06 0.00 -1.81 0.00 0.00 61.98 58.75 3gax s VAL 66 Cb -0.15 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 3gax s VAL 66 CO 0.05 -0.48 0.03 -1.61 -0.31 0.00 0.00 175.10 172.79 3gax s GLU 67 N -2.31 3.88 -0.12 4.82 2.02 0.60 -1.08 118.70 126.52 3gax s GLU 67 Ca -0.01 -0.40 -0.02 0.00 0.02 0.00 0.00 54.97 54.56 3gax s GLU 67 Cb -0.06 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 31.02 3gax s GLU 67 CO 0.00 0.26 -0.04 -0.51 0.02 0.00 0.00 175.26 174.99 3gax s LEU 68 N 0.37 3.29 0.11 1.80 1.43 0.13 -1.38 118.68 124.44 3gax s LEU 68 Ca 0.01 -0.05 0.10 0.00 -1.03 0.00 0.00 54.13 53.15 3gax s LEU 68 Cb -0.13 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3gax s LEU 68 CO 0.01 0.25 -0.24 0.00 0.23 0.00 0.00 176.35 176.61 3gax s ARG 70 N -1.95 4.54 0.47 0.00 0.52 -0.32 -1.24 118.95 120.96 3gax s ARG 70 Ca 0.10 1.27 0.07 0.00 -0.52 0.00 0.00 55.73 56.65 3gax s ARG 70 Cb -0.10 -2.78 -0.00 0.00 0.52 0.00 0.00 34.95 32.59 3gax s ARG 70 CO 0.05 0.28 0.34 0.95 0.02 0.00 0.00 175.30 176.94 3gax s THR 71 N -1.63 2.11 -2.29 0.02 -4.23 -0.35 -1.78 115.64 107.48 3gax s THR 71 Ca 0.50 -1.49 0.20 0.00 -1.18 0.00 0.00 61.69 59.72 3gax s THR 71 Cb -0.18 -2.60 0.44 0.00 1.34 0.00 0.00 72.50 71.49 3gax s THR 71 CO 0.23 0.00 1.48 0.35 -0.54 0.00 0.00 174.62 176.14 3gax n THR 72 N -1.58 0.32 -4.24 3.99 -2.24 -1.07 -4.55 114.28 104.93 3gax n THR 72 Ca 0.00 -0.47 -0.35 0.00 -2.27 0.00 0.00 64.05 60.96 3gax n THR 72 Cb 0.64 0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 69.28 3gax n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gax s THR 74 N -0.28 2.27 0.01 0.00 -4.23 -1.26 -1.08 115.64 111.08 3gax s THR 74 Ca 0.07 0.09 0.26 0.00 -1.18 0.00 0.00 61.69 60.93 3gax s THR 74 Cb -0.12 -2.22 0.28 0.00 1.34 0.00 0.00 72.50 71.78 3gax s THR 74 CO 0.02 -0.12 1.81 0.11 -0.54 0.00 0.00 174.62 175.90 3gax h LYS 75 N -1.91 0.00 -7.29 3.99 1.57 -1.30 -3.42 116.57 108.22 3gax h LYS 75 Ca -0.48 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.81 3gax h LYS 75 Cb 1.28 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.63 3gax h LYS 75 CO 0.46 0.15 0.40 0.95 -0.57 0.00 0.00 179.45 180.84 3gax s THR 76 N -3.53 4.61 0.00 -0.16 -4.23 -1.26 -5.02 115.64 106.05 3gax s THR 76 Ca 0.02 1.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 3gax s THR 76 Cb 0.09 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 70.13 3gax s THR 76 CO 0.62 -0.95 0.00 0.00 -0.54 0.00 0.00 174.62 173.75 3gax n GLN 77 N -2.27 0.00 0.00 3.99 10.64 -1.26 -5.08 117.38 123.39 3gax n GLN 77 Ca 0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 3gax n GLN 77 Cb 0.54 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.92 3gax n GLN 77 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3gax n LEU 80 N 0.00 0.00 -0.72 2.61 4.32 -1.26 -4.99 117.00 116.97 3gax n LEU 80 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.05 3gax n LEU 80 Cb 0.00 0.00 0.16 0.00 -1.62 0.00 0.00 43.42 41.96 3gax n LEU 80 CO 0.00 0.00 0.32 0.47 -1.22 0.00 0.00 177.39 176.96 3gax n ASP 81 N 0.00 1.59 0.00 -1.43 9.92 -1.26 -4.34 116.55 121.03 3gax n ASP 81 Ca 0.00 -3.42 0.12 0.00 -0.53 0.00 0.00 54.79 50.96 3gax n ASP 81 Cb 0.00 -0.47 0.54 0.00 -0.64 0.00 0.00 41.12 40.55 3gax n ASP 81 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3gax n ASN 82 N -0.82 0.00 -3.98 -2.24 2.04 -1.26 -4.83 115.26 104.17 3gax n ASN 82 Ca 0.16 0.45 -0.49 0.00 -0.44 0.00 0.00 54.58 54.26 3gax n ASN 82 Cb 0.77 -0.48 -0.12 0.00 -2.53 0.00 0.00 39.78 37.42 3gax n ASN 82 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3gax s PRO 84 N 6.50 3.11 0.26 0.00 0.04 -1.26 -4.83 135.00 138.83 3gax s PRO 84 Ca 1.15 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 63.17 3gax s PRO 84 Cb -1.29 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.15 3gax s PRO 84 CO 0.55 -0.99 1.07 -0.06 0.04 0.00 0.00 177.00 177.61 3gax s PHE 85 N -2.42 3.66 0.25 0.56 0.08 -1.26 -2.58 117.98 116.27 3gax s PHE 85 Ca 0.65 1.73 -0.30 0.00 0.12 0.00 0.00 56.93 59.12 3gax s PHE 85 Cb -0.18 -3.23 -0.14 0.00 -0.57 0.00 0.00 43.02 38.91 3gax s PHE 85 CO 0.39 -0.37 1.28 0.72 -0.10 0.00 0.00 175.22 177.14 3gax n HIS 86 N 1.42 1.88 0.06 0.36 8.25 -0.73 -4.92 115.22 121.54 3gax n HIS 86 Ca -0.01 0.54 -0.11 0.00 -0.26 0.00 0.00 57.72 57.89 3gax n HIS 86 Cb 0.45 -2.39 -0.13 0.00 1.12 0.00 0.00 29.99 29.05 3gax n HIS 86 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 3gax h ASP 87 N 3.45 0.15 -3.19 0.41 2.03 -1.94 -3.42 116.42 113.90 3gax h ASP 87 Ca -0.44 -0.18 -0.57 0.00 -0.73 0.00 0.00 57.03 55.12 3gax h ASP 87 Cb 1.30 -0.05 -0.05 0.00 -0.83 0.00 0.00 39.33 39.70 3gax h ASP 87 CO 0.70 1.14 1.02 -1.10 -1.03 0.00 0.00 179.24 179.98 3gax s GLN 88 N -2.67 3.76 0.32 4.15 -0.21 -1.26 -4.93 119.66 118.82 3gax s GLN 88 Ca -0.02 1.12 0.07 0.00 0.02 0.00 0.00 55.36 56.55 3gax s GLN 88 Cb 0.09 -3.95 0.76 0.00 1.00 0.00 0.00 33.01 30.90 3gax s GLN 88 CO 0.84 -1.33 1.81 -1.35 -2.12 0.00 0.00 175.29 173.15 3gax h PRO 89 N 9.97 0.74 -0.16 2.91 0.10 -1.99 0.32 132.00 143.89 3gax h PRO 89 Ca -0.27 -0.04 0.05 0.00 0.10 0.00 0.00 66.00 65.83 3gax h PRO 89 Cb 1.10 -0.17 -0.01 0.00 0.10 0.00 0.00 31.00 32.03 3gax h PRO 89 CO 1.06 0.49 0.20 1.12 0.10 0.00 0.00 178.00 180.96 3gax h HIS 90 N 0.76 0.00 0.00 0.65 2.07 -1.99 -0.58 115.15 116.06 3gax h HIS 90 Ca 0.53 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.73 3gax h HIS 90 Cb 0.82 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.74 3gax h HIS 90 CO -0.00 0.00 -2.21 1.28 -3.07 0.00 0.00 177.93 173.93 3gax n LEU 91 N -3.69 0.97 -0.13 6.12 4.77 0.85 -4.53 117.00 121.36 3gax n LEU 91 Ca 0.01 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.87 3gax n LEU 91 Cb 0.31 0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3gax n LEU 91 CO 0.26 0.57 1.00 0.50 -1.33 0.00 0.00 177.39 178.39 3gax h LYS 92 N 0.00 0.55 -6.41 3.23 3.64 -0.40 -3.41 116.57 113.77 3gax h LYS 92 Ca -0.48 -0.06 -0.48 0.00 -1.27 0.00 0.00 60.65 58.37 3gax h LYS 92 Cb 1.97 -0.11 0.03 0.00 -0.41 0.00 0.00 32.23 33.71 3gax h LYS 92 CO -0.01 0.43 -0.94 0.54 -2.27 0.00 0.00 179.45 177.21 3gax n ARG 93 N -4.75 -1.68 -1.69 1.90 1.74 -0.25 -1.17 116.66 110.76 3gax n ARG 93 Ca 0.00 0.38 -0.45 0.00 -0.77 0.00 0.00 57.85 57.02 3gax n ARG 93 Cb 0.07 -4.01 -0.03 0.00 -1.02 0.00 0.00 32.46 27.46 3gax n ARG 93 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3gax n LYS 94 N -4.38 2.30 -4.89 5.56 4.81 -1.26 -4.69 118.16 115.61 3gax n LYS 94 Ca -0.16 0.82 -0.31 0.00 -0.87 0.00 0.00 58.31 57.80 3gax n LYS 94 Cb 0.62 -2.59 -0.14 0.00 0.02 0.00 0.00 35.03 32.94 3gax n LYS 94 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3gax s ALA 95 N 0.64 2.35 -0.20 3.14 0.00 -0.22 -1.38 121.76 126.09 3gax s ALA 95 Ca 0.74 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 51.40 3gax s ALA 95 Cb -0.62 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3gax s ALA 95 CO 0.41 0.54 0.09 0.12 0.00 0.00 0.00 175.76 176.92 3gax s PHE 96 N -0.81 3.29 0.02 0.00 5.36 0.74 -0.69 117.98 125.89 3gax s PHE 96 Ca 0.12 0.13 0.04 0.00 -0.96 0.00 0.00 56.93 56.26 3gax s PHE 96 Cb -0.10 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.42 3gax s PHE 96 CO 0.02 0.14 -0.13 0.00 -1.46 0.00 0.00 175.22 173.79 3gax s SER 98 N -0.88 3.22 0.02 0.00 0.01 0.08 -0.67 113.70 115.47 3gax s SER 98 Ca 0.02 -0.71 0.04 0.00 1.31 0.00 0.00 55.95 56.61 3gax s SER 98 Cb -0.07 -1.45 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 3gax s SER 98 CO 0.01 -0.03 -0.08 -0.36 0.41 0.00 0.00 173.24 173.19 3gax s PHE 99 N 1.29 2.86 -0.15 2.43 0.08 0.35 -1.32 117.98 123.51 3gax s PHE 99 Ca 0.04 -0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.03 3gax s PHE 99 Cb -0.14 -1.58 0.02 0.00 -0.57 0.00 0.00 43.02 40.75 3gax s PHE 99 CO -0.12 0.37 -0.18 -0.65 -0.10 0.00 0.00 175.22 174.54 3gax s GLN 100 N -1.50 2.70 -0.13 0.44 -0.21 -0.12 -1.20 119.66 119.63 3gax s GLN 100 Ca 0.17 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 54.84 3gax s GLN 100 Cb -0.11 -2.32 -0.01 0.00 1.00 0.00 0.00 33.01 31.57 3gax s GLN 100 CO 0.08 -0.16 -0.16 0.42 -2.12 0.00 0.00 175.29 173.35 3gax s ILE 101 N 1.21 2.76 -0.28 1.08 1.09 0.11 -0.29 121.20 126.88 3gax s ILE 101 Ca 0.01 -0.76 -0.09 0.00 -1.10 0.00 0.00 60.65 58.71 3gax s ILE 101 Cb -0.14 -2.14 -0.02 0.00 -1.06 0.00 0.00 42.46 39.10 3gax s ILE 101 CO -0.09 0.53 0.12 -0.47 -0.10 0.00 0.00 174.94 174.94 3gax s TYR 102 N 0.46 3.15 -0.08 3.97 5.04 -0.33 -0.19 117.35 129.37 3gax s TYR 102 Ca -0.11 -0.44 0.03 0.00 -2.44 0.00 0.00 57.07 54.10 3gax s TYR 102 Cb -0.16 -2.31 -0.02 0.00 0.35 0.00 0.00 41.96 39.82 3gax s TYR 102 CO 0.05 -0.39 -0.16 0.00 -1.34 0.00 0.00 175.55 173.72 3gax s ALA 103 N 1.63 2.56 -0.64 3.97 0.00 0.15 -1.18 121.76 128.26 3gax s ALA 103 Ca 0.05 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.09 3gax s ALA 103 Cb -0.16 -0.99 0.16 0.00 0.00 0.00 0.00 23.12 22.13 3gax s ALA 103 CO 0.06 0.44 0.41 0.08 0.00 0.00 0.00 175.76 176.75 3gax s VAL 104 N -0.30 2.91 0.52 0.00 1.01 -0.43 0.91 120.40 125.02 3gax s VAL 104 Ca 0.02 -3.80 0.20 0.00 0.00 0.00 0.00 61.98 58.40 3gax s VAL 104 Cb -0.13 -2.94 0.28 0.00 0.00 0.00 0.00 36.38 33.59 3gax s VAL 104 CO 0.03 -0.92 2.14 -0.65 0.00 0.00 0.00 175.10 175.70 3gax h PRO 105 N 5.97 0.00 0.00 2.72 0.11 -1.95 -0.04 132.00 138.80 3gax h PRO 105 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3gax h PRO 105 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3gax h PRO 105 CO 0.72 0.05 -0.12 -2.67 -0.21 0.00 0.00 178.00 175.76 3gax n TRP 106 N -4.25 0.13 0.42 0.65 2.14 -1.26 -2.57 117.44 112.70 3gax n TRP 106 Ca -0.03 0.04 0.07 0.00 2.07 0.00 0.00 57.50 59.65 3gax n TRP 106 Cb 0.13 -0.51 0.09 0.00 -0.81 0.00 0.00 31.31 30.20 3gax n TRP 106 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 3gax n GLN 107 N -1.61 1.35 -1.97 -2.67 1.13 -0.16 -5.01 117.38 108.44 3gax n GLN 107 Ca 0.06 -1.52 -0.10 0.00 -1.94 0.00 0.00 57.00 53.51 3gax n GLN 107 Cb 0.35 -1.28 -0.01 0.00 0.11 0.00 0.00 30.24 29.40 3gax n GLN 107 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gax n GLY 108 N 0.79 0.25 3.43 1.08 0.00 -0.46 -5.04 105.19 105.24 3gax n GLY 108 Ca 0.10 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 3gax n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gax s THR 109 N -2.47 2.48 -0.13 2.61 -4.23 -0.90 -5.01 115.64 108.00 3gax s THR 109 Ca 0.00 -1.68 -0.10 0.00 -1.18 0.00 0.00 61.69 58.73 3gax s THR 109 Cb 0.00 -2.12 0.04 0.00 1.34 0.00 0.00 72.50 71.76 3gax s THR 109 CO 0.00 0.08 0.33 -0.04 -0.54 0.00 0.00 174.62 174.45 3gax s MET 110 N -2.13 0.35 0.01 3.99 -1.94 -1.26 -1.31 119.30 117.02 3gax s MET 110 Ca 0.16 0.56 0.01 0.00 -1.71 0.00 0.00 55.69 54.71 3gax s MET 110 Cb -0.10 0.07 -0.01 0.00 2.01 0.00 0.00 34.83 36.79 3gax s MET 110 CO 0.08 -0.10 -0.05 0.95 -0.01 0.00 0.00 175.02 175.89 3gax s THR 111 N 0.73 0.31 -0.80 2.05 -4.23 -0.32 -4.99 115.64 108.38 3gax s THR 111 Ca -0.05 -0.54 -0.21 0.00 -1.18 0.00 0.00 61.69 59.72 3gax s THR 111 Cb -0.06 -0.34 0.10 0.00 1.34 0.00 0.00 72.50 73.54 3gax s THR 111 CO -0.05 -0.15 1.06 -0.22 -0.54 0.00 0.00 174.62 174.72 3gax s LEU 112 N -0.74 4.68 0.18 4.79 2.96 -1.26 -1.19 118.68 128.09 3gax s LEU 112 Ca -0.05 -1.52 -0.10 0.00 -0.22 0.00 0.00 54.13 52.24 3gax s LEU 112 Cb -0.05 -2.41 0.06 0.00 0.50 0.00 0.00 46.19 44.29 3gax s LEU 112 CO -0.00 -1.26 1.65 0.28 -1.32 0.00 0.00 176.35 175.70 3gax h SER 113 N 9.23 0.99 -4.72 3.68 0.02 -1.01 -3.45 113.55 118.30 3gax h SER 113 Ca -0.05 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.53 3gax h SER 113 Cb 1.05 -0.27 -0.20 0.00 0.14 0.00 0.00 62.40 63.12 3gax h SER 113 CO 1.16 1.03 -0.06 -0.75 -1.14 0.00 0.00 176.83 177.06 3gax s LYS 114 N -5.12 0.79 -0.17 3.45 2.20 -1.00 -4.97 119.74 114.93 3gax s LYS 114 Ca -0.12 0.21 -0.04 0.00 -0.36 0.00 0.00 55.97 55.66 3gax s LYS 114 Cb 0.13 0.37 0.08 0.00 -1.51 0.00 0.00 37.83 36.90 3gax s LYS 114 CO 0.84 -0.21 0.23 0.45 -0.36 0.00 0.00 175.35 176.31 3gax s SER 115 N -0.86 0.94 -0.10 1.43 0.15 -1.26 -0.95 113.70 113.05 3gax s SER 115 Ca -0.09 0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.68 3gax s SER 115 Cb -0.03 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.79 3gax s SER 115 CO 0.05 -0.29 -0.15 0.42 1.20 0.00 0.00 173.24 174.47 3gax s THR 116 N 2.36 1.49 -0.01 6.45 -4.23 -0.44 -5.00 115.64 116.26 3gax s THR 116 Ca 0.05 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 59.90 3gax s THR 116 Cb -0.14 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.34 3gax s THR 116 CO -0.10 0.44 0.04 0.00 -0.54 0.00 0.00 174.62 174.45 3gax s GLN 118 N 0.02 1.29 0.27 0.00 -2.07 -0.55 -4.98 119.66 113.64 3gax s GLN 118 Ca -0.00 -0.70 -0.30 0.00 -1.82 0.00 0.00 55.36 52.54 3gax s GLN 118 Cb -0.00 0.54 -0.12 0.00 -1.09 0.00 0.00 33.01 32.33 3gax s GLN 118 CO 0.00 -0.55 1.50 -0.25 -1.32 0.00 0.00 175.29 174.68 3gax n ASP 119 N -0.33 3.35 0.00 12.60 9.92 -1.26 -0.19 116.55 140.64 3gax n ASP 119 Ca -0.14 1.15 0.12 0.00 -0.53 0.00 0.00 54.79 55.39 3gax n ASP 119 Cb 0.63 -1.52 0.72 0.00 -0.64 0.00 0.00 41.12 40.32 3gax n ASP 119 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33