#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k31 s MET 1 N 0.00 3.76 0.11 4.33 -1.94 -1.26 -4.94 119.30 119.36 3k31 s MET 1 Ca 0.00 1.51 -0.31 0.00 -1.71 0.00 0.00 55.69 55.18 3k31 s MET 1 Cb 0.00 -4.02 -0.08 0.00 2.01 0.00 0.00 34.83 32.74 3k31 s MET 1 CO 0.00 -1.34 1.36 1.03 -0.01 0.00 0.00 175.02 176.07 3k31 s ARG 2 N 4.69 4.34 0.00 2.03 1.81 -1.26 -4.78 118.95 125.77 3k31 s ARG 2 Ca 0.69 2.04 0.00 0.00 -1.72 0.00 0.00 55.73 56.73 3k31 s ARG 2 Cb -0.22 -3.26 0.00 0.00 -0.45 0.00 0.00 34.95 31.02 3k31 s ARG 2 CO 0.29 -0.41 0.23 0.25 -0.68 0.00 0.00 175.30 174.98 3k31 n THR 3 N 3.90 0.00 -3.37 0.02 -2.24 0.16 -5.01 114.28 107.73 3k31 n THR 3 Ca 0.11 -0.49 -0.02 0.00 -2.27 0.00 0.00 64.05 61.38 3k31 n THR 3 Cb 0.43 1.01 0.01 0.00 -2.10 0.00 0.00 70.33 69.67 3k31 n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k31 n GLY 4 N 0.53 1.44 0.15 3.38 0.00 -0.88 -5.00 105.19 104.82 3k31 n GLY 4 Ca 0.00 -1.04 0.05 0.00 0.00 0.00 0.00 46.02 45.03 3k31 n GLY 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3k31 n MET 5 N -0.18 1.18 0.14 1.61 2.81 -1.25 -3.73 117.12 117.69 3k31 n MET 5 Ca -0.02 -1.85 0.13 0.00 -1.81 0.00 0.00 57.70 54.15 3k31 n MET 5 Cb 0.17 -1.10 0.66 0.00 -0.71 0.00 0.00 33.22 32.24 3k31 n MET 5 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3k31 h LEU 6 N 0.00 0.01 -3.14 4.03 5.85 -1.90 -1.88 115.31 118.28 3k31 h LEU 6 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3k31 h LEU 6 Cb 1.01 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3k31 h LEU 6 CO 0.00 0.01 0.00 0.23 -0.34 0.00 0.00 178.44 178.34 3k31 n MET 7 N -4.47 3.00 -1.68 1.25 2.81 0.44 -4.63 117.12 113.83 3k31 n MET 7 Ca 0.03 -2.59 -0.45 0.00 -1.81 0.00 0.00 57.70 52.88 3k31 n MET 7 Cb 0.31 -1.66 -0.04 0.00 -0.71 0.00 0.00 33.22 31.12 3k31 n MET 7 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3k31 n GLU 8 N -0.06 2.39 -0.78 0.03 4.07 -0.71 -1.61 120.64 123.97 3k31 n GLU 8 Ca 0.18 0.86 0.00 0.00 -0.06 0.00 0.00 57.16 58.15 3k31 n GLU 8 Cb 0.74 -2.68 0.00 0.00 -0.06 0.00 0.00 31.44 29.44 3k31 n GLU 8 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3k31 n GLY 9 N 3.78 0.88 3.79 8.31 0.00 -1.26 -5.00 105.19 115.69 3k31 n GLY 9 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3k31 n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k31 s LYS 10 N -0.22 3.90 -0.08 1.61 1.02 -0.63 -4.99 119.74 120.34 3k31 s LYS 10 Ca 0.00 -0.11 0.02 0.00 0.02 0.00 0.00 55.97 55.90 3k31 s LYS 10 Cb 0.00 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.97 3k31 s LYS 10 CO 0.00 0.50 -0.12 0.15 -0.92 0.00 0.00 175.35 174.95 3k31 s LYS 11 N -0.24 2.86 0.18 1.68 1.02 -1.26 -1.08 119.74 122.90 3k31 s LYS 11 Ca 0.13 -0.66 -0.23 0.00 0.02 0.00 0.00 55.97 55.22 3k31 s LYS 11 Cb -0.12 -2.51 0.06 0.00 -0.52 0.00 0.00 37.83 34.74 3k31 s LYS 11 CO 0.02 0.49 0.67 0.20 -0.92 0.00 0.00 175.35 175.80 3k31 s GLY 12 N -0.36 -0.45 -0.10 -3.33 0.00 -0.32 -0.18 107.32 102.59 3k31 s GLY 12 Ca 0.04 0.29 0.01 0.00 0.00 0.00 0.00 44.72 45.05 3k31 s GLY 12 CO 0.02 0.10 -0.11 0.54 0.00 0.00 0.00 173.10 173.65 3k31 s VAL 13 N -3.74 3.32 -0.18 1.40 0.11 -0.87 -0.98 120.40 119.46 3k31 s VAL 13 Ca 0.04 -0.60 -0.01 0.00 -2.93 0.00 0.00 61.98 58.49 3k31 s VAL 13 Cb -0.02 -2.37 0.00 0.00 -1.53 0.00 0.00 36.38 32.46 3k31 s VAL 13 CO -0.07 0.56 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.50 3k31 s ILE 14 N -0.23 2.73 -0.24 7.04 1.01 -0.51 -0.77 121.20 130.22 3k31 s ILE 14 Ca 0.02 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 3k31 s ILE 14 Cb -0.13 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 3k31 s ILE 14 CO 0.03 0.49 0.02 -0.63 0.00 0.00 0.00 174.94 174.85 3k31 s ILE 15 N 1.15 3.79 0.00 2.92 1.01 -0.08 -2.90 121.20 127.09 3k31 s ILE 15 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3k31 s ILE 15 Cb -0.14 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.54 3k31 s ILE 15 CO -0.05 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.83 3k31 n GLY 16 N 4.85 1.28 3.51 6.18 0.00 -1.26 -1.04 105.19 118.70 3k31 n GLY 16 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3k31 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k31 s VAL 17 N -1.92 4.43 -0.21 1.61 1.01 -1.26 -4.68 120.40 119.38 3k31 s VAL 17 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.19 3k31 s VAL 17 Cb 0.00 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 3k31 s VAL 17 CO 0.00 -1.10 0.23 0.00 0.00 0.00 0.00 175.10 174.23 3k31 n ALA 18 N 7.35 2.42 -3.58 5.51 0.00 -1.26 -4.89 120.51 126.06 3k31 n ALA 18 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.28 3k31 n ALA 18 Cb 0.47 -0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.83 3k31 n ALA 18 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3k31 n ASN 19 N -0.80 -1.51 -1.81 0.00 0.23 -1.26 -4.86 115.26 105.25 3k31 n ASN 19 Ca 0.01 -1.99 0.06 0.00 -0.53 0.00 0.00 54.58 52.12 3k31 n ASN 19 Cb 0.06 2.51 0.38 0.00 -2.08 0.00 0.00 39.78 40.64 3k31 n ASN 19 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3k31 n ASP 20 N -1.30 5.45 -0.12 0.53 5.75 -1.26 -4.14 116.55 121.46 3k31 n ASP 20 Ca -0.05 -2.99 0.04 0.00 -0.01 0.00 0.00 54.79 51.78 3k31 n ASP 20 Cb 0.42 -0.68 -0.02 0.00 -1.03 0.00 0.00 41.12 39.80 3k31 n ASP 20 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3k31 n LYS 21 N 0.40 2.99 -2.86 0.11 5.02 -1.26 -4.91 118.16 117.64 3k31 n LYS 21 Ca 0.29 -0.33 -0.24 0.00 -2.02 0.00 0.00 58.31 56.01 3k31 n LYS 21 Cb 1.20 -0.99 0.01 0.00 -0.02 0.00 0.00 35.03 35.23 3k31 n LYS 21 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3k31 s SER 22 N -1.49 5.81 0.26 4.39 1.04 -1.26 -4.95 113.70 117.50 3k31 s SER 22 Ca 0.06 0.40 -0.04 0.00 0.48 0.00 0.00 55.95 56.84 3k31 s SER 22 Cb 0.07 -1.60 0.34 0.00 0.10 0.00 0.00 66.02 64.92 3k31 s SER 22 CO 0.28 -0.76 1.90 -0.07 0.98 0.00 0.00 173.24 175.57 3k31 h LEU 23 N 0.29 1.06 -1.06 2.42 3.38 -1.95 -1.98 115.31 117.46 3k31 h LEU 23 Ca -0.46 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 3k31 h LEU 23 Cb 1.25 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 3k31 h LEU 23 CO 0.58 0.72 0.41 0.00 0.09 0.00 0.00 178.44 180.23 3k31 h ALA 24 N 1.41 1.28 -0.50 1.53 0.00 -1.90 -0.88 119.26 120.19 3k31 h ALA 24 Ca 0.40 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3k31 h ALA 24 Cb 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3k31 h ALA 24 CO -0.13 0.58 0.10 2.35 0.00 0.00 0.00 179.25 182.15 3k31 h TRP 25 N 1.07 0.87 -0.98 0.00 2.91 -1.71 -0.70 115.95 117.41 3k31 h TRP 25 Ca 0.27 -0.11 0.04 0.00 1.13 0.00 0.00 58.89 60.22 3k31 h TRP 25 Cb 0.04 -0.24 -0.06 0.00 -0.51 0.00 0.00 29.16 28.39 3k31 h TRP 25 CO 0.01 0.78 0.64 0.78 -1.03 0.00 0.00 178.44 179.62 3k31 h GLY 26 N 0.70 1.43 0.83 2.65 0.00 -0.60 -0.85 103.07 107.23 3k31 h GLY 26 Ca 0.16 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3k31 h GLY 26 CO 0.01 0.41 -0.08 -2.22 0.00 0.00 0.00 176.54 174.65 3k31 h ILE 27 N 1.23 1.30 -0.58 2.60 2.04 -1.00 -2.14 117.51 120.96 3k31 h ILE 27 Ca 0.39 -1.12 0.07 0.00 1.00 0.00 0.00 64.86 65.20 3k31 h ILE 27 Cb 0.01 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 3k31 h ILE 27 CO -0.13 0.34 0.27 0.00 0.00 0.00 0.00 178.15 178.64 3k31 h ALA 28 N 0.73 0.76 -0.51 1.87 0.00 -0.77 -1.16 119.26 120.17 3k31 h ALA 28 Ca 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3k31 h ALA 28 Cb 0.56 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3k31 h ALA 28 CO 0.03 -0.10 0.19 -0.22 0.00 0.00 0.00 179.25 179.15 3k31 h LYS 29 N 0.51 0.77 -0.27 0.00 3.64 -1.14 -1.06 116.57 119.02 3k31 h LYS 29 Ca 0.27 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3k31 h LYS 29 Cb 0.24 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3k31 h LYS 29 CO -0.22 0.69 0.09 0.00 -2.27 0.00 0.00 179.45 177.75 3k31 h ALA 30 N 1.04 0.36 -0.06 5.00 0.00 -0.89 -1.27 119.26 123.44 3k31 h ALA 30 Ca 0.17 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 3k31 h ALA 30 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3k31 h ALA 30 CO -0.01 -0.02 -0.84 -0.39 0.00 0.00 0.00 179.25 177.98 3k31 h VAL 31 N 0.28 1.35 -0.75 0.00 -1.51 -1.15 -2.89 116.25 111.58 3k31 h VAL 31 Ca 0.09 -2.21 -0.04 0.00 -1.23 0.00 0.00 66.70 63.31 3k31 h VAL 31 Cb 0.22 2.21 -0.03 0.00 -2.13 0.00 0.00 31.29 31.56 3k31 h VAL 31 CO -0.00 0.67 0.31 0.00 -1.23 0.00 0.00 177.57 177.32 3k31 h ALA 33 N 1.16 1.10 -0.67 0.00 0.00 -1.18 -2.15 119.26 117.52 3k31 h ALA 33 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3k31 h ALA 33 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3k31 h ALA 33 CO -0.02 0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.30 3k31 n GLN 34 N -3.26 3.70 -0.20 0.00 1.13 -0.84 0.38 117.38 118.29 3k31 n GLN 34 Ca -0.02 -2.88 0.00 0.00 -1.94 0.00 0.00 57.00 52.16 3k31 n GLN 34 Cb 0.16 -1.89 0.00 0.00 0.11 0.00 0.00 30.24 28.62 3k31 n GLN 34 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k31 n GLY 35 N 1.21 0.82 3.76 1.08 0.00 -0.81 -0.42 105.19 110.82 3k31 n GLY 35 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 3k31 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k31 s ALA 36 N -2.11 2.70 -0.35 4.61 0.00 -0.69 -4.19 121.76 121.73 3k31 s ALA 36 Ca 0.00 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.85 3k31 s ALA 36 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 3k31 s ALA 36 CO 0.00 -1.06 0.34 -2.00 0.00 0.00 0.00 175.76 173.03 3k31 s GLU 37 N -3.11 3.47 0.02 0.00 2.12 -0.24 -4.62 118.70 116.34 3k31 s GLU 37 Ca 0.73 -0.54 0.07 0.00 0.36 0.00 0.00 54.97 55.59 3k31 s GLU 37 Cb -0.31 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.22 3k31 s GLU 37 CO 0.36 -0.55 -0.21 0.08 -0.54 0.00 0.00 175.26 174.40 3k31 s VAL 38 N 1.94 2.58 -0.11 3.70 1.01 -1.26 -1.17 120.40 127.08 3k31 s VAL 38 Ca 0.10 -1.17 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 3k31 s VAL 38 Cb -0.17 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3k31 s VAL 38 CO 0.11 0.41 -0.03 0.00 0.00 0.00 0.00 175.10 175.59 3k31 s ALA 39 N -0.83 3.10 -0.03 5.51 0.00 -0.16 -4.36 121.76 124.99 3k31 s ALA 39 Ca 0.13 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 3k31 s ALA 39 Cb -0.10 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 3k31 s ALA 39 CO 0.03 0.42 0.04 -0.51 0.00 0.00 0.00 175.76 175.74 3k31 s LEU 40 N -0.33 3.73 0.16 0.00 1.43 -0.91 -1.42 118.68 121.33 3k31 s LEU 40 Ca 0.06 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3k31 s LEU 40 Cb -0.12 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3k31 s LEU 40 CO 0.02 0.31 0.30 0.42 0.23 0.00 0.00 176.35 177.63 3k31 s THR 41 N -1.07 5.31 0.09 5.49 -4.23 -1.14 -1.36 115.64 118.74 3k31 s THR 41 Ca 0.19 -0.68 0.03 0.00 -1.18 0.00 0.00 61.69 60.05 3k31 s THR 41 Cb -0.12 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 3k31 s THR 41 CO 0.09 -0.11 -0.09 -0.72 -0.54 0.00 0.00 174.62 173.25 3k31 s TYR 42 N -1.76 0.98 0.06 3.99 -0.85 -0.83 -4.59 117.35 114.35 3k31 s TYR 42 Ca 0.35 -0.68 -0.23 0.00 -0.52 0.00 0.00 57.07 55.99 3k31 s TYR 42 Cb -0.11 -0.55 -0.14 0.00 0.38 0.00 0.00 41.96 41.54 3k31 s TYR 42 CO 0.29 -0.04 1.59 1.25 -1.52 0.00 0.00 175.55 177.12 3k31 h LEU 43 N 3.58 0.10 -7.94 -3.49 5.85 -1.89 0.21 115.31 111.72 3k31 h LEU 43 Ca -0.37 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.24 3k31 h LEU 43 Cb 1.19 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 3k31 h LEU 43 CO 0.53 0.25 0.32 -0.94 -0.34 0.00 0.00 178.44 178.26 3k31 s SER 44 N -5.46 -0.14 0.35 1.25 1.04 -1.26 -3.99 113.70 105.49 3k31 s SER 44 Ca -0.14 -0.76 0.08 0.00 0.48 0.00 0.00 55.95 55.61 3k31 s SER 44 Cb 0.05 0.71 0.79 0.00 0.10 0.00 0.00 66.02 67.67 3k31 s SER 44 CO 0.68 -1.36 1.87 1.05 0.98 0.00 0.00 173.24 176.46 3k31 h GLU 45 N 2.00 0.71 -0.34 4.02 9.09 -2.00 0.67 114.58 128.72 3k31 h GLU 45 Ca -0.25 -0.04 0.10 0.00 0.05 0.00 0.00 59.36 59.22 3k31 h GLU 45 Cb 1.24 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 28.17 3k31 h GLU 45 CO 0.30 0.47 0.24 1.15 0.05 0.00 0.00 179.01 181.23 3k31 h THR 46 N 0.73 0.83 -0.40 -1.06 2.02 -2.01 -2.39 112.91 110.63 3k31 h THR 46 Ca 0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.63 3k31 h THR 46 Cb 0.67 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3k31 h THR 46 CO -0.21 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.17 3k31 n PHE 47 N -4.43 0.53 -0.19 3.16 3.72 0.19 -4.65 117.46 115.79 3k31 n PHE 47 Ca 0.05 -0.46 -0.07 0.00 -0.05 0.00 0.00 57.45 56.92 3k31 n PHE 47 Cb 0.42 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.96 3k31 n PHE 47 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3k31 h LYS 48 N 2.50 0.76 0.00 -1.08 3.64 -1.02 -2.88 116.57 118.48 3k31 h LYS 48 Ca 0.00 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3k31 h LYS 48 Cb 0.77 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3k31 h LYS 48 CO 0.00 0.61 -0.01 0.87 -2.27 0.00 0.00 179.45 178.65 3k31 h LYS 49 N 0.72 0.00 -0.14 1.90 1.57 -1.83 0.21 116.57 119.00 3k31 h LYS 49 Ca 0.19 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.81 3k31 h LYS 49 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3k31 h LYS 49 CO -0.03 0.01 -0.57 0.07 -0.57 0.00 0.00 179.45 178.36 3k31 h ARG 50 N 0.00 0.44 0.05 3.15 -0.00 -1.85 -3.31 114.38 112.86 3k31 h ARG 50 Ca -0.00 -0.29 -0.23 0.00 -0.00 0.00 0.00 59.98 59.46 3k31 h ARG 50 Cb 0.03 0.04 -0.02 0.00 -0.00 0.00 0.00 29.97 30.02 3k31 h ARG 50 CO 0.00 0.89 -1.08 -0.24 -0.00 0.00 0.00 179.97 179.54 3k31 h VAL 51 N 0.34 1.63 -0.70 0.08 3.04 -1.06 -3.40 116.25 116.18 3k31 h VAL 51 Ca 0.00 -3.26 0.11 0.00 -1.01 0.00 0.00 66.70 62.54 3k31 h VAL 51 Cb 1.10 2.86 -0.12 0.00 -2.01 0.00 0.00 31.29 33.12 3k31 h VAL 51 CO 0.10 0.94 -0.40 0.44 -1.01 0.00 0.00 177.57 177.64 3k31 h ASP 52 N 0.03 -1.39 0.63 3.17 3.32 -1.48 -0.87 116.42 119.83 3k31 h ASP 52 Ca -0.06 0.26 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 3k31 h ASP 52 Cb 1.83 0.67 -0.01 0.00 0.22 0.00 0.00 39.33 42.04 3k31 h ASP 52 CO 0.16 -0.31 -0.45 1.55 -1.72 0.00 0.00 179.24 178.47 3k31 h PRO 53 N -0.14 0.00 -0.32 3.56 0.13 -1.77 -1.28 132.00 132.18 3k31 h PRO 53 Ca 0.24 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.31 3k31 h PRO 53 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 3k31 h PRO 53 CO -0.77 0.45 -0.00 -0.07 -0.23 0.00 0.00 178.00 177.38 3k31 h LEU 54 N 0.00 0.55 -0.44 1.56 3.38 -1.54 -1.75 115.31 117.07 3k31 h LEU 54 Ca -0.00 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3k31 h LEU 54 Cb 0.89 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3k31 h LEU 54 CO 0.06 0.73 0.23 0.00 0.09 0.00 0.00 178.44 179.55 3k31 h ALA 55 N 0.84 0.55 -0.46 1.53 0.00 -1.02 -2.24 119.26 118.46 3k31 h ALA 55 Ca 0.09 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3k31 h ALA 55 Cb 0.45 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3k31 h ALA 55 CO 0.02 -0.11 0.22 1.05 0.00 0.00 0.00 179.25 180.43 3k31 h GLU 56 N 0.47 0.43 -0.99 0.00 9.09 -1.13 0.40 114.58 122.85 3k31 h GLU 56 Ca 0.18 -0.03 0.01 0.00 0.05 0.00 0.00 59.36 59.58 3k31 h GLU 56 Cb 0.07 -0.10 -0.05 0.00 -1.65 0.00 0.00 28.75 27.02 3k31 h GLU 56 CO -0.11 0.28 0.65 0.77 0.05 0.00 0.00 179.01 180.65 3k31 h SER 57 N 0.44 1.13 1.44 3.06 0.02 -1.10 -2.54 113.55 116.01 3k31 h SER 57 Ca 0.20 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3k31 h SER 57 Cb 0.12 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3k31 h SER 57 CO -0.15 0.82 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.12 3k31 h LEU 58 N 1.34 0.00 0.00 5.07 3.38 -0.90 -3.37 115.31 120.83 3k31 h LEU 58 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3k31 h LEU 58 Cb -0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3k31 h LEU 58 CO -0.08 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.23 3k31 n GLY 59 N 0.70 0.68 3.72 0.83 0.00 -0.20 -4.92 105.19 106.00 3k31 n GLY 59 Ca 0.02 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3k31 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k31 s VAL 60 N -2.00 3.90 -0.62 1.61 1.01 -0.04 -4.94 120.40 119.31 3k31 s VAL 60 Ca 0.00 1.39 0.13 0.00 0.00 0.00 0.00 61.98 63.50 3k31 s VAL 60 Cb 0.00 -3.89 -0.14 0.00 0.00 0.00 0.00 36.38 32.35 3k31 s VAL 60 CO 0.00 0.13 0.55 2.29 0.00 0.00 0.00 175.10 178.07 3k31 n LYS 61 N 3.70 2.74 -4.05 2.72 0.00 -1.26 -4.43 118.16 117.59 3k31 n LYS 61 Ca 0.08 -0.02 -0.31 0.00 -0.00 0.00 0.00 58.31 58.07 3k31 n LYS 61 Cb 0.46 -1.11 -0.16 0.00 -0.00 0.00 0.00 35.03 34.22 3k31 n LYS 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3k31 s LEU 62 N -2.59 1.96 0.00 -5.58 2.96 -1.26 -5.11 118.68 109.07 3k31 s LEU 62 Ca 0.05 -0.63 0.06 0.00 -0.22 0.00 0.00 54.13 53.39 3k31 s LEU 62 Cb 0.10 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 3k31 s LEU 62 CO 0.52 -0.06 -0.18 0.42 -1.32 0.00 0.00 176.35 175.73 3k31 s THR 63 N 1.40 1.45 -0.00 3.68 -4.23 -1.26 -2.15 115.64 114.53 3k31 s THR 63 Ca 0.04 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 3k31 s THR 63 Cb -0.14 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.49 3k31 s THR 63 CO -0.11 0.34 0.00 -0.69 -0.54 0.00 0.00 174.62 173.62 3k31 s VAL 64 N -0.52 -0.00 0.33 2.29 1.01 -0.46 -4.98 120.40 118.06 3k31 s VAL 64 Ca 0.07 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 3k31 s VAL 64 Cb -0.07 -0.02 -0.10 0.00 0.00 0.00 0.00 36.38 36.19 3k31 s VAL 64 CO -0.00 0.01 1.28 -2.16 0.00 0.00 0.00 175.10 174.23 3k31 s PRO 65 N 0.10 4.37 -0.28 2.72 0.04 -1.26 -1.96 135.00 138.73 3k31 s PRO 65 Ca -0.01 2.15 -0.09 0.00 0.04 0.00 0.00 61.00 63.10 3k31 s PRO 65 Cb -0.01 -3.07 0.13 0.00 0.04 0.00 0.00 34.50 31.59 3k31 s PRO 65 CO -0.00 -0.15 0.61 0.00 0.04 0.00 0.00 177.00 177.49 3k31 s ASP 67 N 2.85 5.32 0.18 0.00 -1.08 -1.26 -4.09 116.67 118.59 3k31 s ASP 67 Ca -0.02 -1.14 0.20 0.00 -0.52 0.00 0.00 52.55 51.07 3k31 s ASP 67 Cb -0.12 -1.87 0.86 0.00 -1.46 0.00 0.00 42.92 40.32 3k31 s ASP 67 CO -0.18 -0.33 1.62 1.33 0.52 0.00 0.00 175.17 178.13 3k31 n VAL 68 N 4.81 0.91 1.43 1.11 0.24 -1.26 -1.51 118.33 124.07 3k31 n VAL 68 Ca -0.12 0.26 0.15 0.00 -2.04 0.00 0.00 64.34 62.58 3k31 n VAL 68 Cb 0.45 -1.14 0.70 0.00 -1.47 0.00 0.00 33.84 32.38 3k31 n VAL 68 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3k31 n SER 69 N -2.00 0.18 -4.11 -1.34 3.41 -1.26 -4.77 113.62 103.74 3k31 n SER 69 Ca 0.02 -0.34 -0.33 0.00 -0.26 0.00 0.00 58.87 57.97 3k31 n SER 69 Cb 0.20 -0.19 -0.15 0.00 -0.26 0.00 0.00 64.21 63.81 3k31 n SER 69 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k31 s ASP 70 N -2.52 4.05 0.23 4.04 -1.08 -0.57 -5.01 116.67 115.81 3k31 s ASP 70 Ca 0.29 -1.10 -0.06 0.00 -0.52 0.00 0.00 52.55 51.15 3k31 s ASP 70 Cb 0.20 -1.55 0.21 0.00 -1.46 0.00 0.00 42.92 40.32 3k31 s ASP 70 CO 0.47 -0.13 1.80 0.00 0.52 0.00 0.00 175.17 177.83 3k31 h ALA 71 N 7.86 1.10 -0.44 3.66 0.00 -1.87 -1.92 119.26 127.66 3k31 h ALA 71 Ca -0.29 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3k31 h ALA 71 Cb 1.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3k31 h ALA 71 CO 0.53 0.65 -0.14 1.05 0.00 0.00 0.00 179.25 181.34 3k31 h GLU 72 N 1.13 0.81 -0.36 0.00 -0.00 -1.95 -0.37 114.58 113.84 3k31 h GLU 72 Ca 0.26 -0.29 -0.02 0.00 -0.00 0.00 0.00 59.36 59.31 3k31 h GLU 72 Cb 0.20 -0.06 -0.02 0.00 -0.00 0.00 0.00 28.75 28.87 3k31 h GLU 72 CO -0.02 0.91 0.16 1.03 -0.00 0.00 0.00 179.01 181.08 3k31 h SER 73 N 0.72 0.49 -0.22 3.06 0.87 -1.73 -0.78 113.55 115.96 3k31 h SER 73 Ca 0.11 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3k31 h SER 73 Cb 0.64 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3k31 h SER 73 CO 0.05 0.50 0.09 0.58 -0.53 0.00 0.00 176.83 177.52 3k31 h VAL 74 N 0.44 1.16 -0.62 2.23 2.07 -1.07 -1.23 116.25 119.24 3k31 h VAL 74 Ca 0.12 -0.49 0.09 0.00 0.82 0.00 0.00 66.70 67.24 3k31 h VAL 74 Cb 0.16 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 3k31 h VAL 74 CO -0.01 0.16 0.24 0.44 0.02 0.00 0.00 177.57 178.42 3k31 h ASP 75 N 0.21 0.25 -0.59 0.57 3.32 -0.98 -1.71 116.42 117.49 3k31 h ASP 75 Ca 0.07 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 3k31 h ASP 75 Cb 0.17 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3k31 h ASP 75 CO -0.01 0.15 0.15 -1.13 -1.72 0.00 0.00 179.24 176.68 3k31 h ASN 76 N 0.43 0.92 -0.58 6.45 -0.73 -0.99 -1.85 115.58 119.23 3k31 h ASN 76 Ca 0.31 -0.18 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 3k31 h ASN 76 Cb 0.38 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.70 3k31 h ASN 76 CO -0.30 0.89 0.31 -0.03 -0.37 0.00 0.00 177.43 177.93 3k31 h MET 77 N 0.94 0.81 0.00 6.67 4.05 -0.42 -1.02 114.93 125.96 3k31 h MET 77 Ca 0.20 -0.10 -0.11 0.00 -0.28 0.00 0.00 59.70 59.41 3k31 h MET 77 Cb 0.33 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 3k31 h MET 77 CO -0.00 0.63 -0.52 0.74 0.23 0.00 0.00 176.91 177.99 3k31 h PHE 78 N 0.78 0.00 -0.65 1.39 0.04 -1.10 -2.01 116.94 115.40 3k31 h PHE 78 Ca 0.20 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.95 3k31 h PHE 78 Cb 0.06 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 3k31 h PHE 78 CO -0.01 0.52 0.30 0.87 -0.60 0.00 0.00 178.31 179.39 3k31 h LYS 79 N 0.00 0.94 -0.16 1.51 6.56 -0.83 0.83 116.57 125.43 3k31 h LYS 79 Ca -0.01 -0.15 -0.02 0.00 -1.06 0.00 0.00 60.65 59.42 3k31 h LYS 79 Cb 1.00 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 32.48 3k31 h LYS 79 CO 0.07 0.76 0.04 0.28 -2.06 0.00 0.00 179.45 178.54 3k31 h VAL 80 N 0.90 1.20 -0.61 0.50 2.07 -0.87 -1.51 116.25 117.93 3k31 h VAL 80 Ca 0.22 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3k31 h VAL 80 Cb 0.14 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3k31 h VAL 80 CO -0.03 0.19 0.31 -0.07 0.02 0.00 0.00 177.57 178.00 3k31 h LEU 81 N 0.06 0.76 -0.54 2.57 3.38 -1.25 -0.06 115.31 120.22 3k31 h LEU 81 Ca 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3k31 h LEU 81 Cb 0.26 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3k31 h LEU 81 CO 0.00 0.63 0.28 0.00 0.09 0.00 0.00 178.44 179.44 3k31 h ALA 82 N 1.50 0.69 -0.31 1.53 0.00 -0.57 -0.00 119.26 122.09 3k31 h ALA 82 Ca 0.21 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3k31 h ALA 82 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3k31 h ALA 82 CO -0.03 0.23 -0.14 0.93 0.00 0.00 0.00 179.25 180.24 3k31 h GLU 83 N 0.72 0.65 -0.24 0.00 5.08 -0.85 0.14 114.58 120.08 3k31 h GLU 83 Ca 0.19 -0.28 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 3k31 h GLU 83 Cb 0.07 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3k31 h GLU 83 CO -0.03 0.86 -0.43 0.93 -1.00 0.00 0.00 179.01 179.34 3k31 h GLU 84 N 0.41 0.71 0.00 2.33 4.39 -0.91 -3.41 114.58 118.10 3k31 h GLU 84 Ca 0.07 -0.45 -0.04 0.00 0.34 0.00 0.00 59.36 59.29 3k31 h GLU 84 Cb 0.66 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 3k31 h GLU 84 CO 0.04 1.07 -1.18 0.91 -1.16 0.00 0.00 179.01 178.70 3k31 n TRP 85 N -4.17 0.00 0.00 4.33 8.01 -0.02 -5.03 117.44 120.56 3k31 n TRP 85 Ca -0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.14 3k31 n TRP 85 Cb 0.56 -0.12 0.00 0.00 -2.01 0.00 0.00 31.31 29.74 3k31 n TRP 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3k31 n GLY 86 N 2.71 1.30 3.26 6.99 0.00 0.47 -4.88 105.19 115.04 3k31 n GLY 86 Ca -0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 3k31 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k31 s SER 87 N 0.00 0.12 0.00 1.61 1.04 -1.26 -4.90 113.70 110.32 3k31 s SER 87 Ca 0.00 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.16 3k31 s SER 87 Cb 0.00 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.52 3k31 s SER 87 CO 0.00 -0.88 -0.02 -0.22 0.98 0.00 0.00 173.24 173.10 3k31 s LEU 88 N -3.12 2.04 -0.15 2.42 2.96 -0.61 -4.94 118.68 117.29 3k31 s LEU 88 Ca 0.34 -0.11 0.15 0.00 -0.22 0.00 0.00 54.13 54.29 3k31 s LEU 88 Cb 0.06 -0.05 -0.21 0.00 0.50 0.00 0.00 46.19 46.49 3k31 s LEU 88 CO 0.10 -0.03 0.09 0.47 -1.32 0.00 0.00 176.35 175.66 3k31 n ASP 89 N 2.79 1.00 -3.71 3.68 8.00 0.75 -4.36 116.55 124.70 3k31 n ASP 89 Ca -0.14 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.24 3k31 n ASP 89 Cb 0.59 1.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.62 3k31 n ASP 89 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3k31 s PHE 90 N -2.48 -0.19 -0.04 1.24 -0.12 -1.03 -1.66 117.98 113.71 3k31 s PHE 90 Ca -0.08 0.11 0.02 0.00 -0.05 0.00 0.00 56.93 56.93 3k31 s PHE 90 Cb 0.06 0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.61 3k31 s PHE 90 CO 0.67 -0.53 -0.08 0.08 -0.05 0.00 0.00 175.22 175.30 3k31 s VAL 91 N -2.47 0.78 -0.15 -2.49 1.01 -0.80 -2.06 120.40 114.23 3k31 s VAL 91 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3k31 s VAL 91 Cb -0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 3k31 s VAL 91 CO -0.03 0.26 -0.15 -0.69 0.00 0.00 0.00 175.10 174.50 3k31 s VAL 92 N 0.46 2.76 -0.35 2.92 1.01 0.05 -1.20 120.40 126.05 3k31 s VAL 92 Ca -0.07 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 3k31 s VAL 92 Cb -0.11 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.17 3k31 s VAL 92 CO 0.01 0.52 0.09 -2.28 0.00 0.00 0.00 175.10 173.44 3k31 s HIS 93 N 0.70 3.40 -0.53 5.22 2.46 -0.17 -0.90 115.29 125.47 3k31 s HIS 93 Ca -0.07 -2.06 0.07 0.00 0.47 0.00 0.00 55.06 53.47 3k31 s HIS 93 Cb -0.16 -2.58 0.26 0.00 -0.13 0.00 0.00 32.58 29.98 3k31 s HIS 93 CO 0.02 -0.86 0.69 0.00 -2.47 0.00 0.00 174.74 172.11 3k31 n ALA 94 N 4.62 3.45 -2.90 1.58 0.00 -0.21 -3.53 120.51 123.52 3k31 n ALA 94 Ca -0.08 -4.23 -0.12 0.00 0.00 0.00 0.00 53.44 49.01 3k31 n ALA 94 Cb 0.43 -0.86 -0.14 0.00 0.00 0.00 0.00 19.45 18.88 3k31 n ALA 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3k31 s VAL 95 N -2.20 0.00 0.05 0.00 -7.23 -1.26 -4.28 120.40 105.49 3k31 s VAL 95 Ca 0.39 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 60.41 3k31 s VAL 95 Cb 0.18 -0.02 0.03 0.00 0.56 0.00 0.00 36.38 37.13 3k31 s VAL 95 CO -0.06 0.00 0.34 0.00 -0.31 0.00 0.00 175.10 175.08 3k31 s ALA 96 N 0.03 -0.79 -0.21 1.32 0.00 -1.26 -4.65 121.76 116.20 3k31 s ALA 96 Ca -0.00 0.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.85 3k31 s ALA 96 Cb -0.00 0.37 0.06 0.00 0.00 0.00 0.00 23.12 23.55 3k31 s ALA 96 CO -0.00 -0.45 0.54 0.12 0.00 0.00 0.00 175.76 175.97 3k31 s PHE 97 N -2.72 -0.65 0.06 0.00 5.36 -1.26 -4.94 117.98 113.83 3k31 s PHE 97 Ca -0.04 1.51 -0.24 0.00 -0.96 0.00 0.00 56.93 57.21 3k31 s PHE 97 Cb -0.00 0.26 0.06 0.00 -0.34 0.00 0.00 43.02 43.00 3k31 s PHE 97 CO -0.04 -0.32 0.56 0.45 -1.46 0.00 0.00 175.22 174.41 3k31 s SER 98 N 0.59 -0.50 0.04 6.13 0.15 -1.26 -4.33 113.70 114.52 3k31 s SER 98 Ca -0.02 0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.52 3k31 s SER 98 Cb -0.05 0.53 -0.08 0.00 -1.71 0.00 0.00 66.02 64.71 3k31 s SER 98 CO -0.03 -0.77 1.71 -0.62 1.20 0.00 0.00 173.24 174.73 3k31 s ASP 99 N -2.08 6.58 0.28 5.45 2.15 -1.26 -4.90 116.67 122.89 3k31 s ASP 99 Ca -0.04 2.48 -0.04 0.00 0.43 0.00 0.00 52.55 55.38 3k31 s ASP 99 Cb -0.00 -2.55 0.37 0.00 -0.30 0.00 0.00 42.92 40.43 3k31 s ASP 99 CO -0.03 -0.93 1.94 0.07 -0.17 0.00 0.00 175.17 176.05 3k31 h LYS 100 N 8.95 1.19 -0.27 4.34 2.10 -2.00 -2.79 116.57 128.09 3k31 h LYS 100 Ca -0.43 -0.07 -0.16 0.00 -2.00 0.00 0.00 60.65 57.99 3k31 h LYS 100 Cb 1.20 -0.27 -0.01 0.00 -0.90 0.00 0.00 32.23 32.26 3k31 h LYS 100 CO 0.94 0.79 -0.47 -0.97 -2.00 0.00 0.00 179.45 177.73 3k31 h ASN 101 N 1.22 0.78 0.53 7.07 -1.24 -2.01 -2.90 115.58 119.03 3k31 h ASN 101 Ca 0.35 -0.38 -0.08 0.00 0.71 0.00 0.00 56.30 56.90 3k31 h ASN 101 Cb -0.10 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.72 3k31 h ASN 101 CO -0.08 1.13 -0.36 -0.33 -1.29 0.00 0.00 177.43 176.49 3k31 h GLU 102 N 0.57 0.00 -0.23 6.67 5.08 -1.93 -2.42 114.58 122.32 3k31 h GLU 102 Ca 0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3k31 h GLU 102 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3k31 h GLU 102 CO 0.10 0.36 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.36 3k31 h LEU 103 N 0.00 0.32 -0.51 1.33 3.38 -1.29 -1.92 115.31 116.62 3k31 h LEU 103 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3k31 h LEU 103 Cb 0.73 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3k31 h LEU 103 CO 0.05 0.41 0.00 0.11 0.09 0.00 0.00 178.44 179.10 3k31 h LYS 104 N 0.34 0.00 0.00 1.13 1.57 -1.38 -3.40 116.57 114.82 3k31 h LYS 104 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3k31 h LYS 104 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3k31 h LYS 104 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 3k31 n GLY 105 N 0.51 1.66 3.90 3.86 0.00 -0.72 -5.03 105.19 109.37 3k31 n GLY 105 Ca 0.03 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 3k31 n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k31 s ARG 106 N 2.99 3.60 0.27 1.61 0.52 -1.26 -4.83 118.95 121.84 3k31 s ARG 106 Ca 0.00 -0.12 -0.02 0.00 -0.52 0.00 0.00 55.73 55.07 3k31 s ARG 106 Cb 0.00 -2.92 0.41 0.00 0.52 0.00 0.00 34.95 32.95 3k31 s ARG 106 CO 0.00 0.52 1.89 -0.92 0.02 0.00 0.00 175.30 176.81 3k31 h TYR 107 N 3.11 1.20 0.00 -0.53 3.20 -1.94 -1.93 116.97 120.08 3k31 h TYR 107 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3k31 h TYR 107 Cb 1.17 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.05 3k31 h TYR 107 CO 0.63 0.64 0.00 -0.24 -1.64 0.00 0.00 178.16 177.54 3k31 h VAL 108 N 1.19 0.00 -0.31 1.81 3.04 -1.99 -1.43 116.25 118.55 3k31 h VAL 108 Ca 0.42 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.94 3k31 h VAL 108 Cb 0.14 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 3k31 h VAL 108 CO -0.16 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 176.87 3k31 n ASP 109 N -2.75 2.21 -4.70 3.17 8.00 -0.73 -4.97 116.55 116.80 3k31 n ASP 109 Ca -0.01 -1.87 -0.44 0.00 0.71 0.00 0.00 54.79 53.18 3k31 n ASP 109 Cb 0.15 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 3k31 n ASP 109 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3k31 n THR 110 N 0.69 0.82 -2.89 -3.53 -1.04 -0.54 -4.98 114.28 102.81 3k31 n THR 110 Ca 0.16 -0.21 -0.30 0.00 -2.04 0.00 0.00 64.05 61.67 3k31 n THR 110 Cb 0.39 -1.65 -0.03 0.00 -1.82 0.00 0.00 70.33 67.22 3k31 n THR 110 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3k31 s SER 111 N 0.46 6.47 0.18 8.00 1.04 -1.26 -4.97 113.70 123.63 3k31 s SER 111 Ca 0.68 1.04 -0.13 0.00 0.48 0.00 0.00 55.95 58.02 3k31 s SER 111 Cb -0.60 -2.28 0.11 0.00 0.10 0.00 0.00 66.02 63.35 3k31 s SER 111 CO 0.47 -0.40 1.84 0.25 0.98 0.00 0.00 173.24 176.38 3k31 h LEU 112 N 1.15 0.61 -0.48 2.42 5.85 -1.99 -1.23 115.31 121.65 3k31 h LEU 112 Ca -0.47 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.26 3k31 h LEU 112 Cb 1.19 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3k31 h LEU 112 CO 0.64 0.44 0.29 1.23 -0.34 0.00 0.00 178.44 180.69 3k31 h GLY 113 N 0.73 0.67 0.89 3.75 0.00 -1.99 -0.03 103.07 107.09 3k31 h GLY 113 Ca 0.22 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3k31 h GLY 113 CO -0.08 0.19 -0.01 -0.57 0.00 0.00 0.00 176.54 176.07 3k31 h ASN 114 N 0.58 0.55 -0.26 0.19 -1.24 -1.93 -0.91 115.58 112.55 3k31 h ASN 114 Ca 0.19 -0.32 0.06 0.00 0.71 0.00 0.00 56.30 56.94 3k31 h ASN 114 Cb -0.00 -0.15 -0.07 0.00 0.73 0.00 0.00 38.32 38.83 3k31 h ASN 114 CO -0.08 0.74 -0.20 0.15 -1.29 0.00 0.00 177.43 176.75 3k31 h PHE 115 N 0.35 -0.53 -0.34 0.67 3.57 -0.87 -0.13 116.94 119.66 3k31 h PHE 115 Ca 0.09 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.46 3k31 h PHE 115 Cb 0.46 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 3k31 h PHE 115 CO 0.04 -0.28 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.33 3k31 h LEU 116 N -0.19 0.94 -0.43 0.59 3.38 -0.89 -0.63 115.31 118.08 3k31 h LEU 116 Ca 0.14 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 3k31 h LEU 116 Cb 0.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3k31 h LEU 116 CO -0.38 1.24 0.18 0.74 0.09 0.00 0.00 178.44 180.31 3k31 h THR 117 N 0.70 1.20 -0.37 0.22 2.02 -1.08 0.44 112.91 116.04 3k31 h THR 117 Ca 0.04 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.58 3k31 h THR 117 Cb 1.03 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3k31 h THR 117 CO 0.10 0.22 0.04 0.28 0.37 0.00 0.00 175.52 176.53 3k31 h SER 118 N 0.54 0.60 -0.63 4.18 0.02 -0.89 -1.74 113.55 115.63 3k31 h SER 118 Ca 0.14 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 3k31 h SER 118 Cb 0.18 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 3k31 h SER 118 CO -0.01 0.73 0.26 0.24 -1.14 0.00 0.00 176.83 176.90 3k31 h MET 119 N 0.45 0.94 0.34 3.45 2.07 -0.97 0.21 114.93 121.42 3k31 h MET 119 Ca 0.11 -0.17 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 3k31 h MET 119 Cb 0.39 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 29.96 3k31 h MET 119 CO 0.01 0.79 -0.24 1.25 1.07 0.00 0.00 176.91 179.79 3k31 h HIS 120 N 0.88 -0.63 -0.01 -0.22 6.17 -0.73 -0.45 115.15 120.16 3k31 h HIS 120 Ca 0.21 -0.00 -0.18 0.00 0.71 0.00 0.00 60.37 61.10 3k31 h HIS 120 Cb 0.19 0.23 0.01 0.00 2.52 0.00 0.00 27.41 30.37 3k31 h HIS 120 CO 0.01 -0.36 -0.71 0.82 0.71 0.00 0.00 177.93 178.40 3k31 h ILE 121 N -0.57 1.38 0.00 6.26 2.04 -1.26 -1.04 117.51 124.32 3k31 h ILE 121 Ca -0.03 -2.10 -0.13 0.00 1.00 0.00 0.00 64.86 63.59 3k31 h ILE 121 Cb 0.49 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 3k31 h ILE 121 CO 0.01 0.62 -0.74 0.28 0.00 0.00 0.00 178.15 178.33 3k31 h SER 122 N 0.04 0.00 0.00 1.72 0.02 -0.63 -3.38 113.55 111.32 3k31 h SER 122 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3k31 h SER 122 Cb 1.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.94 3k31 h SER 122 CO 0.14 0.60 0.00 0.00 -1.14 0.00 0.00 176.83 176.43 3k31 h TYR 124 N 0.00 1.17 -0.79 0.00 3.20 -1.02 -2.37 116.97 117.17 3k31 h TYR 124 Ca 0.00 0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.06 3k31 h TYR 124 Cb 0.00 -0.39 -0.05 0.00 1.54 0.00 0.00 36.73 37.82 3k31 h TYR 124 CO 0.00 0.74 0.53 0.66 -1.64 0.00 0.00 178.16 178.45 3k31 h SER 125 N 1.26 0.36 -0.50 -2.11 4.64 -1.37 -0.42 113.55 115.41 3k31 h SER 125 Ca 0.34 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.63 3k31 h SER 125 Cb -0.14 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 3k31 h SER 125 CO -0.07 0.17 0.12 0.15 -0.87 0.00 0.00 176.83 176.33 3k31 h PHE 126 N 0.37 0.84 -0.33 4.77 3.57 -1.70 -0.39 116.94 124.07 3k31 h PHE 126 Ca 0.39 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 3k31 h PHE 126 Cb 0.97 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3k31 h PHE 126 CO -0.00 0.76 0.04 1.15 -2.23 0.00 0.00 178.31 178.02 3k31 h THR 127 N 0.69 1.24 -0.46 4.41 2.02 -1.20 -0.36 112.91 119.24 3k31 h THR 127 Ca 0.16 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 3k31 h THR 127 Cb 0.34 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3k31 h THR 127 CO 0.00 0.29 0.16 0.22 0.37 0.00 0.00 175.52 176.56 3k31 h TYR 128 N 0.38 0.73 -0.59 3.16 3.20 -1.20 -1.07 116.97 121.58 3k31 h TYR 128 Ca 0.10 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3k31 h TYR 128 Cb 0.38 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3k31 h TYR 128 CO 0.03 0.64 0.39 0.82 -1.64 0.00 0.00 178.16 178.40 3k31 h ILE 129 N 0.61 1.14 -1.00 1.81 2.04 -0.99 -2.08 117.51 119.04 3k31 h ILE 129 Ca 0.15 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.77 3k31 h ILE 129 Cb 0.24 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 3k31 h ILE 129 CO -0.01 0.14 0.66 0.00 0.00 0.00 0.00 178.15 178.95 3k31 h ALA 130 N 1.22 1.33 -0.55 1.87 0.00 -0.76 -0.51 119.26 121.87 3k31 h ALA 130 Ca 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3k31 h ALA 130 Cb -0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.32 3k31 h ALA 130 CO -0.05 0.58 0.19 0.66 0.00 0.00 0.00 179.25 180.63 3k31 h SER 131 N 1.29 0.74 1.21 0.00 4.64 -0.55 -1.89 113.55 118.98 3k31 h SER 131 Ca 0.39 -0.10 -0.16 0.00 -0.47 0.00 0.00 61.79 61.45 3k31 h SER 131 Cb -0.02 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 3k31 h SER 131 CO -0.12 0.68 -0.80 0.11 -0.87 0.00 0.00 176.83 175.83 3k31 h LYS 132 N 0.79 0.00 -0.04 4.77 1.79 -0.87 -3.30 116.57 119.71 3k31 h LYS 132 Ca 0.19 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.48 3k31 h LYS 132 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 3k31 h LYS 132 CO -0.01 0.70 -0.74 0.00 -1.08 0.00 0.00 179.45 178.31 3k31 h ALA 133 N 1.27 0.68 -0.58 3.86 0.00 -0.87 -3.37 119.26 120.25 3k31 h ALA 133 Ca -0.03 -0.63 0.12 0.00 0.00 0.00 0.00 54.91 54.37 3k31 h ALA 133 Cb 1.58 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 19.18 3k31 h ALA 133 CO 0.09 0.82 -0.17 1.49 0.00 0.00 0.00 179.25 181.48 3k31 h GLU 134 N 0.15 -0.03 0.00 0.00 4.81 -1.43 -0.26 114.58 117.83 3k31 h GLU 134 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3k31 h GLU 134 Cb 1.31 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3k31 h GLU 134 CO 0.11 -0.02 0.00 -1.00 -0.73 0.00 0.00 179.01 177.38 3k31 h PRO 135 N -0.03 0.00 0.00 0.92 0.13 -1.79 -1.71 132.00 129.52 3k31 h PRO 135 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 3k31 h PRO 135 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 3k31 h PRO 135 CO -0.61 0.00 -0.43 1.28 -0.23 0.00 0.00 178.00 178.00 3k31 n LEU 136 N -2.55 0.58 -3.45 1.56 4.32 -0.13 -4.42 117.00 112.91 3k31 n LEU 136 Ca 0.01 0.25 -0.35 0.00 -0.02 0.00 0.00 56.01 55.90 3k31 n LEU 136 Cb 0.22 -0.26 -0.02 0.00 -1.62 0.00 0.00 43.42 41.74 3k31 n LEU 136 CO 0.21 -0.02 0.77 0.23 -1.22 0.00 0.00 177.39 177.36 3k31 n MET 137 N -1.90 4.15 -0.03 3.23 2.81 -0.64 -1.57 117.12 123.17 3k31 n MET 137 Ca 0.05 -4.71 -0.16 0.00 -1.81 0.00 0.00 57.70 51.06 3k31 n MET 137 Cb 0.40 -2.37 -0.08 0.00 -0.71 0.00 0.00 33.22 30.46 3k31 n MET 137 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3k31 h THR 138 N 2.81 1.34 -0.21 2.03 1.35 -1.77 -3.07 112.91 115.39 3k31 h THR 138 Ca 0.30 -1.87 -0.11 0.00 -0.55 0.00 0.00 66.41 64.18 3k31 h THR 138 Cb 0.48 2.13 -0.06 0.00 -1.73 0.00 0.00 68.15 68.96 3k31 h THR 138 CO 1.04 0.57 0.14 0.59 -0.25 0.00 0.00 175.52 177.62 3k31 n ASN 139 N -4.15 3.45 -0.22 5.36 4.13 -1.26 -4.97 115.26 117.61 3k31 n ASN 139 Ca -0.08 -2.38 0.01 0.00 1.68 0.00 0.00 54.58 53.82 3k31 n ASN 139 Cb 0.64 -0.63 -0.00 0.00 -1.54 0.00 0.00 39.78 38.25 3k31 n ASN 139 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k31 n GLY 140 N 0.25 -2.00 0.00 7.41 0.00 -1.16 -5.04 105.19 104.65 3k31 n GLY 140 Ca 0.13 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3k31 n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k31 n GLY 141 N -0.55 0.42 3.11 -0.02 0.00 -1.05 -4.77 105.19 102.33 3k31 n GLY 141 Ca 0.00 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 3k31 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k31 s SER 142 N -4.00 -0.22 -0.10 1.61 0.15 -0.66 -1.09 113.70 109.39 3k31 s SER 142 Ca 0.00 0.65 0.04 0.00 0.70 0.00 0.00 55.95 57.33 3k31 s SER 142 Cb 0.00 0.59 -0.01 0.00 -1.71 0.00 0.00 66.02 64.89 3k31 s SER 142 CO 0.00 -0.19 -0.22 -0.63 1.20 0.00 0.00 173.24 173.40 3k31 s ILE 143 N 1.56 2.29 -0.02 6.45 1.01 0.17 -1.91 121.20 130.75 3k31 s ILE 143 Ca -0.07 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.66 3k31 s ILE 143 Cb -0.10 -1.88 -0.00 0.00 0.01 0.00 0.00 42.46 40.48 3k31 s ILE 143 CO -0.10 0.56 -0.09 -0.22 0.00 0.00 0.00 174.94 175.09 3k31 s LEU 144 N 0.22 1.86 0.39 2.97 2.96 -0.34 -1.81 118.68 124.93 3k31 s LEU 144 Ca -0.14 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 3k31 s LEU 144 Cb -0.17 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 3k31 s LEU 144 CO 0.07 0.08 0.09 0.28 -1.32 0.00 0.00 176.35 175.55 3k31 s THR 145 N 0.05 0.91 -0.03 3.68 -1.32 -0.65 -1.00 115.64 117.29 3k31 s THR 145 Ca -0.01 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.55 3k31 s THR 145 Cb -0.07 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.41 3k31 s THR 145 CO 0.00 0.00 -0.25 -0.76 -2.21 0.00 0.00 174.62 171.40 3k31 s LEU 146 N -3.60 2.07 0.00 9.08 1.43 -1.23 -1.33 118.68 125.10 3k31 s LEU 146 Ca 0.26 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3k31 s LEU 146 Cb 0.05 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.92 3k31 s LEU 146 CO 0.13 0.31 0.00 -0.24 0.23 0.00 0.00 176.35 176.78 3k31 n SER 147 N 2.51 0.50 -3.57 2.29 2.88 0.92 -4.89 113.62 114.26 3k31 n SER 147 Ca -0.16 -0.88 -0.17 0.00 -1.33 0.00 0.00 58.87 56.33 3k31 n SER 147 Cb 0.51 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.91 3k31 n SER 147 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 3k31 s TYR 148 N -1.60 -0.55 0.61 0.66 5.04 -1.26 -2.15 117.35 118.10 3k31 s TYR 148 Ca 0.00 0.89 0.29 0.00 -2.44 0.00 0.00 57.07 55.82 3k31 s TYR 148 Cb 0.00 0.35 1.60 0.00 0.35 0.00 0.00 41.96 44.26 3k31 s TYR 148 CO 0.00 -0.58 1.98 -0.92 -1.34 0.00 0.00 175.55 174.69 3k31 h TYR 149 N 3.11 0.00 0.00 4.97 3.20 -1.90 -0.66 116.97 125.69 3k31 h TYR 149 Ca -0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.59 3k31 h TYR 149 Cb 1.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 3k31 h TYR 149 CO 0.40 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.33 3k31 n GLY 150 N -1.39 -0.74 0.19 1.82 0.00 -1.26 -0.73 105.19 103.07 3k31 n GLY 150 Ca 0.03 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.14 3k31 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k31 h ALA 151 N 2.13 1.06 0.00 4.61 0.00 -1.27 -3.38 119.26 122.42 3k31 h ALA 151 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 54.91 54.25 3k31 h ALA 151 Cb 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3k31 h ALA 151 CO 0.00 0.48 -2.18 0.39 0.00 0.00 0.00 179.25 177.94 3k31 n GLU 152 N -3.64 0.67 -4.15 0.00 1.02 0.09 -4.43 120.64 110.21 3k31 n GLU 152 Ca -0.01 0.10 -0.11 0.00 -0.02 0.00 0.00 57.16 57.12 3k31 n GLU 152 Cb 0.49 -1.42 -0.10 0.00 -0.02 0.00 0.00 31.44 30.38 3k31 n GLU 152 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3k31 s LYS 153 N -2.42 0.77 -0.12 3.49 -0.14 -0.77 -5.11 119.74 115.44 3k31 s LYS 153 Ca -0.25 -1.22 -0.29 0.00 -1.36 0.00 0.00 55.97 52.85 3k31 s LYS 153 Cb 0.07 -0.23 -0.04 0.00 -1.68 0.00 0.00 37.83 35.95 3k31 s LYS 153 CO 0.52 -0.00 1.54 0.08 -0.76 0.00 0.00 175.35 176.73 3k31 s VAL 154 N -3.16 3.79 -0.14 3.17 1.01 -1.26 -4.06 120.40 119.76 3k31 s VAL 154 Ca 0.07 0.95 -0.01 0.00 0.00 0.00 0.00 61.98 62.99 3k31 s VAL 154 Cb 0.02 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3k31 s VAL 154 CO -0.04 -0.14 -0.11 -0.69 0.00 0.00 0.00 175.10 174.13 3k31 s VAL 155 N 4.18 3.26 0.33 2.92 1.01 -1.26 -5.02 120.40 125.83 3k31 s VAL 155 Ca 0.68 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 3k31 s VAL 155 Cb -0.28 -2.39 -0.11 0.00 0.00 0.00 0.00 36.38 33.60 3k31 s VAL 155 CO 0.25 0.52 1.51 -2.16 0.00 0.00 0.00 175.10 175.22 3k31 s PRO 156 N 0.37 4.14 -2.04 2.72 0.04 -1.26 -1.91 135.00 137.05 3k31 s PRO 156 Ca -0.09 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.49 3k31 s PRO 156 Cb -0.15 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.38 3k31 s PRO 156 CO 0.05 -0.54 0.00 0.72 0.04 0.00 0.00 177.00 177.26 3k31 n HIS 157 N 1.24 -0.32 0.04 0.56 8.25 -1.26 -4.83 115.22 118.90 3k31 n HIS 157 Ca 0.04 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.53 3k31 n HIS 157 Cb 0.39 -3.57 -0.07 0.00 1.12 0.00 0.00 29.99 27.86 3k31 n HIS 157 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3k31 n TYR 158 N -2.82 0.88 0.00 4.41 9.36 -0.80 -4.74 117.16 123.44 3k31 n TYR 158 Ca -0.22 0.28 0.00 0.00 3.32 0.00 0.00 57.90 61.29 3k31 n TYR 158 Cb 0.67 -1.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.36 3k31 n TYR 158 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3k31 n ASN 159 N -2.80 0.00 0.27 2.98 3.02 -1.26 -0.97 115.26 116.50 3k31 n ASN 159 Ca -0.08 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.62 3k31 n ASN 159 Cb 0.77 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.65 3k31 n ASN 159 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3k31 h VAL 160 N 0.00 0.21 0.00 2.41 3.04 -1.92 -0.85 116.25 119.15 3k31 h VAL 160 Ca 0.00 -0.59 -0.06 0.00 -1.01 0.00 0.00 66.70 65.04 3k31 h VAL 160 Cb 0.00 1.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 3k31 h VAL 160 CO 0.00 0.07 -0.28 0.24 -1.01 0.00 0.00 177.57 176.59 3k31 h MET 161 N 0.00 0.00 -0.45 4.17 2.86 -1.45 -0.39 114.93 119.68 3k31 h MET 161 Ca -0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 3k31 h MET 161 Cb 0.48 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 3k31 h MET 161 CO 0.01 0.28 -0.01 0.78 1.06 0.00 0.00 176.91 179.03 3k31 h GLY 162 N 0.86 0.87 1.04 8.32 0.00 -1.05 -0.14 103.07 112.97 3k31 h GLY 162 Ca -0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 3k31 h GLY 162 CO 0.04 0.60 0.08 -2.08 0.00 0.00 0.00 176.54 175.17 3k31 h VAL 163 N 0.65 1.26 -0.71 4.60 2.07 -1.41 -0.91 116.25 121.81 3k31 h VAL 163 Ca 0.13 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 3k31 h VAL 163 Cb 0.51 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3k31 h VAL 163 CO 0.03 0.37 0.25 0.00 0.02 0.00 0.00 177.57 178.23 3k31 h LYS 165 N 1.03 0.27 -0.62 0.00 1.79 -0.88 -0.10 116.57 118.05 3k31 h LYS 165 Ca 0.23 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3k31 h LYS 165 Cb 0.27 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 3k31 h LYS 165 CO -0.01 0.82 0.40 0.00 -1.08 0.00 0.00 179.45 179.58 3k31 h ALA 166 N 1.13 0.79 -0.51 3.86 0.00 -1.01 -0.51 119.26 123.01 3k31 h ALA 166 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k31 h ALA 166 Cb 1.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3k31 h ALA 166 CO 0.10 0.24 0.31 0.00 0.00 0.00 0.00 179.25 179.90 3k31 h ALA 167 N 1.22 0.65 -0.56 0.00 0.00 -1.08 -2.36 119.26 117.12 3k31 h ALA 167 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3k31 h ALA 167 Cb -0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3k31 h ALA 167 CO -0.05 0.13 0.36 1.25 0.00 0.00 0.00 179.25 180.94 3k31 h LEU 168 N 0.68 0.66 -1.15 0.00 5.85 -0.69 0.53 115.31 121.19 3k31 h LEU 168 Ca 0.18 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 3k31 h LEU 168 Cb -0.02 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3k31 h LEU 168 CO -0.03 0.50 0.19 -0.33 -0.34 0.00 0.00 178.44 178.43 3k31 h GLU 169 N 0.76 0.79 -0.30 1.25 5.08 -0.96 -0.62 114.58 120.57 3k31 h GLU 169 Ca 0.20 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3k31 h GLU 169 Cb -0.06 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3k31 h GLU 169 CO -0.04 0.66 -0.16 0.00 -1.00 0.00 0.00 179.01 178.47 3k31 h ALA 170 N 1.44 0.43 -0.73 3.43 0.00 -1.05 -3.03 119.26 119.74 3k31 h ALA 170 Ca 0.18 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3k31 h ALA 170 Cb 0.19 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3k31 h ALA 170 CO -0.01 0.34 0.48 0.66 0.00 0.00 0.00 179.25 180.72 3k31 h SER 171 N 0.40 0.68 -1.00 0.00 4.64 -0.27 -1.39 113.55 116.62 3k31 h SER 171 Ca 0.07 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.49 3k31 h SER 171 Cb 0.70 -0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.56 3k31 h SER 171 CO 0.05 0.45 0.63 0.58 -0.87 0.00 0.00 176.83 177.67 3k31 h VAL 172 N 0.78 0.98 -0.16 0.95 2.07 -1.01 0.68 116.25 120.55 3k31 h VAL 172 Ca 0.31 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 3k31 h VAL 172 Cb 0.24 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 3k31 h VAL 172 CO -0.10 0.19 -0.19 0.11 0.02 0.00 0.00 177.57 177.60 3k31 h LYS 173 N 1.06 0.40 -0.52 1.57 1.57 -1.25 -0.84 116.57 118.56 3k31 h LYS 173 Ca 0.47 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 3k31 h LYS 173 Cb 0.36 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3k31 h LYS 173 CO -0.23 0.80 0.06 1.88 -0.57 0.00 0.00 179.45 181.39 3k31 h TYR 174 N 0.03 0.94 -0.94 -1.35 -1.99 -1.15 -2.60 116.97 109.92 3k31 h TYR 174 Ca 0.02 -0.14 -0.01 0.00 2.00 0.00 0.00 58.73 60.60 3k31 h TYR 174 Cb 0.74 -0.25 -0.05 0.00 2.00 0.00 0.00 36.73 39.17 3k31 h TYR 174 CO 0.09 0.85 0.56 -0.07 -0.00 0.00 0.00 178.16 179.60 3k31 h LEU 175 N 0.76 1.13 -0.85 3.88 3.38 -0.86 -2.40 115.31 120.35 3k31 h LEU 175 Ca 0.16 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3k31 h LEU 175 Cb 0.44 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 3k31 h LEU 175 CO 0.01 0.87 0.53 0.00 0.09 0.00 0.00 178.44 179.94 3k31 h ALA 176 N 1.31 1.16 -0.20 1.53 0.00 -0.77 1.00 119.26 123.29 3k31 h ALA 176 Ca 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3k31 h ALA 176 Cb -0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3k31 h ALA 176 CO -0.06 0.28 0.06 0.28 0.00 0.00 0.00 179.25 179.81 3k31 h VAL 177 N 0.97 1.19 -0.28 0.00 2.07 -1.18 -0.89 116.25 118.14 3k31 h VAL 177 Ca 0.37 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3k31 h VAL 177 Cb 0.15 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3k31 h VAL 177 CO -0.17 0.19 0.05 0.44 0.02 0.00 0.00 177.57 178.11 3k31 h ASP 178 N 0.15 0.43 1.09 0.57 3.32 -0.96 -3.26 116.42 117.76 3k31 h ASP 178 Ca 0.06 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3k31 h ASP 178 Cb 0.24 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3k31 h ASP 178 CO -0.00 0.57 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.52 3k31 h LEU 179 N 0.27 0.00 -1.90 1.55 3.38 -0.87 -3.32 115.31 114.42 3k31 h LEU 179 Ca 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3k31 h LEU 179 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3k31 h LEU 179 CO 0.00 0.07 -0.12 1.23 0.09 0.00 0.00 178.44 179.71 3k31 h GLY 180 N 4.41 0.00 1.19 0.83 0.00 -1.19 -1.74 103.07 106.57 3k31 h GLY 180 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 3k31 h GLY 180 CO 0.00 0.00 0.30 0.50 0.00 0.00 0.00 176.54 177.34 3k31 h LYS 181 N 0.00 0.00 -0.57 4.80 1.57 -1.72 -0.06 116.57 120.59 3k31 h LYS 181 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k31 h LYS 181 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3k31 h LYS 181 CO 0.02 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.94 3k31 n GLN 182 N -4.24 3.89 -2.49 3.15 6.02 -0.68 -4.95 117.38 118.08 3k31 n GLN 182 Ca 0.06 -2.91 -0.18 0.00 -0.01 0.00 0.00 57.00 53.96 3k31 n GLN 182 Cb 0.48 -1.95 0.00 0.00 1.02 0.00 0.00 30.24 29.80 3k31 n GLN 182 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3k31 n GLN 183 N 0.77 -2.16 -3.51 -1.09 1.13 -0.04 -3.16 117.38 109.32 3k31 n GLN 183 Ca 0.25 0.86 -0.38 0.00 -1.94 0.00 0.00 57.00 55.79 3k31 n GLN 183 Cb 0.94 -5.40 -0.10 0.00 0.11 0.00 0.00 30.24 25.80 3k31 n GLN 183 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3k31 s ILE 184 N -2.95 5.26 0.31 5.09 1.01 -1.02 -2.53 121.20 126.36 3k31 s ILE 184 Ca 0.07 0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.90 3k31 s ILE 184 Cb -0.03 -3.60 -0.09 0.00 0.01 0.00 0.00 42.46 38.75 3k31 s ILE 184 CO 0.08 0.23 0.77 -0.13 0.00 0.00 0.00 174.94 175.90 3k31 s ARG 185 N 1.72 4.14 -0.07 2.79 3.00 -0.25 -3.54 118.95 126.74 3k31 s ARG 185 Ca 0.11 0.83 -0.01 0.00 0.00 0.00 0.00 55.73 56.66 3k31 s ARG 185 Cb -0.15 -2.55 0.03 0.00 0.00 0.00 0.00 34.95 32.27 3k31 s ARG 185 CO 0.09 0.21 -0.01 0.08 0.00 0.00 0.00 175.30 175.67 3k31 s VAL 186 N -1.85 0.44 0.17 3.52 1.01 -1.26 -0.66 120.40 121.77 3k31 s VAL 186 Ca 0.52 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 3k31 s VAL 186 Cb -0.12 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 3k31 s VAL 186 CO 0.18 0.26 0.25 0.20 0.00 0.00 0.00 175.10 176.00 3k31 s ASN 187 N 1.84 0.08 0.10 3.32 0.01 -0.75 0.30 114.94 119.84 3k31 s ASN 187 Ca 0.03 -0.98 0.06 0.00 -0.71 0.00 0.00 52.86 51.27 3k31 s ASN 187 Cb -0.12 0.42 -0.03 0.00 0.41 0.00 0.00 41.25 41.92 3k31 s ASN 187 CO -0.05 -0.88 -0.16 0.00 -1.51 0.00 0.00 177.10 174.49 3k31 s ALA 188 N -4.00 1.48 -0.21 0.60 0.00 0.03 -1.64 121.76 118.02 3k31 s ALA 188 Ca 0.21 -1.17 -0.05 0.00 0.00 0.00 0.00 51.96 50.94 3k31 s ALA 188 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 3k31 s ALA 188 CO 0.02 0.21 0.01 0.42 0.00 0.00 0.00 175.76 176.42 3k31 s ILE 189 N -1.50 3.93 -0.55 0.00 1.01 -0.45 -0.83 121.20 122.81 3k31 s ILE 189 Ca 0.04 -0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.19 3k31 s ILE 189 Cb -0.08 -2.79 0.09 0.00 0.01 0.00 0.00 42.46 39.68 3k31 s ILE 189 CO 0.03 0.41 0.65 -0.55 0.00 0.00 0.00 174.94 175.49 3k31 s SER 190 N 1.16 6.20 -0.01 3.58 0.15 0.45 -0.05 113.70 125.18 3k31 s SER 190 Ca 0.03 -1.24 -0.10 0.00 0.70 0.00 0.00 55.95 55.34 3k31 s SER 190 Cb -0.14 -2.29 -0.05 0.00 -1.71 0.00 0.00 66.02 61.83 3k31 s SER 190 CO 0.01 -1.00 0.31 0.00 1.20 0.00 0.00 173.24 173.77 3k31 s ALA 191 N 2.57 3.78 0.85 5.45 0.00 -0.91 -0.76 121.76 132.73 3k31 s ALA 191 Ca 0.12 -0.43 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 3k31 s ALA 191 Cb -0.22 -2.19 0.10 0.00 0.00 0.00 0.00 23.12 20.81 3k31 s ALA 191 CO 0.08 0.57 1.09 0.20 0.00 0.00 0.00 175.76 177.71 3k31 s GLY 192 N -1.37 1.64 0.46 0.00 0.00 -0.32 -4.60 107.32 103.13 3k31 s GLY 192 Ca 0.25 0.09 -0.25 0.00 0.00 0.00 0.00 44.72 44.81 3k31 s GLY 192 CO 0.13 0.52 1.35 2.56 0.00 0.00 0.00 173.10 177.66 3k31 s PRO 193 N -4.91 3.66 0.01 2.90 0.04 -1.26 -4.79 135.00 130.65 3k31 s PRO 193 Ca 0.63 2.25 0.08 0.00 0.04 0.00 0.00 61.00 63.99 3k31 s PRO 193 Cb -0.18 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 3k31 s PRO 193 CO 0.57 -0.78 -0.24 0.14 0.04 0.00 0.00 177.00 176.73 3k31 s VAL 194 N -1.27 2.27 -0.12 -0.36 -7.23 -1.26 -3.78 120.40 108.65 3k31 s VAL 194 Ca 0.62 -1.21 -0.15 0.00 -1.81 0.00 0.00 61.98 59.43 3k31 s VAL 194 Cb -0.40 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 3k31 s VAL 194 CO 0.50 0.46 0.37 0.00 -0.31 0.00 0.00 175.10 176.13 3k31 s ARG 195 N -0.99 4.22 -0.03 4.82 3.03 -1.26 -5.09 118.95 123.65 3k31 s ARG 195 Ca 0.11 0.26 -0.26 0.00 2.03 0.00 0.00 55.73 57.88 3k31 s ARG 195 Cb -0.10 -3.40 -0.20 0.00 -1.03 0.00 0.00 34.95 30.22 3k31 s ARG 195 CO 0.01 0.28 1.22 0.66 -1.13 0.00 0.00 175.30 176.34 3k31 h SER 203 N 6.40 -0.02 -0.76 -2.89 4.64 -2.06 -3.51 113.55 115.35 3k31 h SER 203 Ca -0.43 -0.50 0.09 0.00 -0.47 0.00 0.00 61.79 60.48 3k31 h SER 203 Cb 1.18 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.20 3k31 h SER 203 CO 0.73 0.50 0.42 0.44 -0.87 0.00 0.00 176.83 178.05 3k31 h ASP 204 N -0.54 0.58 -0.54 4.97 3.32 -2.03 -1.69 116.42 120.49 3k31 h ASP 204 Ca -0.00 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 3k31 h ASP 204 Cb 0.52 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3k31 h ASP 204 CO 0.00 0.33 -0.08 0.15 -1.72 0.00 0.00 179.24 177.93 3k31 h PHE 205 N 0.71 1.12 -0.77 4.55 3.57 -2.00 -2.30 116.94 121.81 3k31 h PHE 205 Ca 0.37 -0.22 0.06 0.00 3.53 0.00 0.00 57.97 61.70 3k31 h PHE 205 Cb 0.35 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 3k31 h PHE 205 CO -0.08 1.03 0.46 1.25 -2.23 0.00 0.00 178.31 178.74 3k31 h HIS 206 N 0.88 0.85 -0.32 0.41 2.76 -1.82 -0.30 115.15 117.61 3k31 h HIS 206 Ca 0.14 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 3k31 h HIS 206 Cb 0.64 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 3k31 h HIS 206 CO 0.05 0.43 0.15 -0.92 -1.30 0.00 0.00 177.93 176.33 3k31 h TYR 207 N 0.85 0.47 -0.61 5.26 3.20 -1.01 -0.69 116.97 124.44 3k31 h TYR 207 Ca 0.33 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.09 3k31 h TYR 207 Cb 0.16 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3k31 h TYR 207 CO -0.05 0.42 0.03 0.82 -1.64 0.00 0.00 178.16 177.75 3k31 h ILE 208 N 0.38 1.26 -0.17 1.81 1.08 -1.10 -0.29 117.51 120.48 3k31 h ILE 208 Ca 0.11 -1.11 -0.01 0.00 -0.39 0.00 0.00 64.86 63.47 3k31 h ILE 208 Cb 0.14 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 3k31 h ILE 208 CO -0.01 0.40 0.08 0.25 -0.69 0.00 0.00 178.15 178.18 3k31 h LEU 209 N 0.95 0.23 -0.66 1.44 5.85 -0.91 -1.25 115.31 120.96 3k31 h LEU 209 Ca 0.18 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3k31 h LEU 209 Cb 0.52 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3k31 h LEU 209 CO 0.02 0.31 0.37 0.74 -0.34 0.00 0.00 178.44 179.54 3k31 h THR 210 N 0.14 1.21 -0.61 1.05 2.02 -0.92 -1.27 112.91 114.53 3k31 h THR 210 Ca 0.06 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3k31 h THR 210 Cb 0.14 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 3k31 h THR 210 CO -0.01 0.22 0.39 -0.25 0.37 0.00 0.00 175.52 176.25 3k31 h TRP 211 N 0.90 0.78 -0.80 3.16 2.91 -0.88 -0.59 115.95 121.43 3k31 h TRP 211 Ca 0.23 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.22 3k31 h TRP 211 Cb 0.03 -0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 28.38 3k31 h TRP 211 CO -0.01 0.51 0.34 -0.91 -1.03 0.00 0.00 178.44 177.34 3k31 h ASN 212 N 0.83 1.08 -0.64 2.65 2.35 -0.96 -1.70 115.58 119.20 3k31 h ASN 212 Ca 0.22 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3k31 h ASN 212 Cb -0.07 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 37.99 3k31 h ASN 212 CO -0.05 0.94 0.34 0.50 -1.65 0.00 0.00 177.43 177.52 3k31 h LYS 213 N 1.16 0.90 0.00 0.81 1.63 -0.48 -0.74 116.57 119.85 3k31 h LYS 213 Ca 0.27 -0.11 -0.19 0.00 -0.85 0.00 0.00 60.65 59.77 3k31 h LYS 213 Cb 0.18 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 3k31 h LYS 213 CO -0.03 0.69 -0.86 1.88 -3.45 0.00 0.00 179.45 177.69 3k31 h TYR 214 N 0.88 0.15 0.00 1.91 0.05 -0.91 -3.31 116.97 115.73 3k31 h TYR 214 Ca 0.22 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.92 3k31 h TYR 214 Cb 0.06 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.79 3k31 h TYR 214 CO -0.01 0.91 -0.64 0.09 -1.05 0.00 0.00 178.16 177.46 3k31 n ASN 215 N -3.60 0.70 -4.78 3.88 3.02 -0.66 -4.85 115.26 108.97 3k31 n ASN 215 Ca -0.02 -0.71 -0.37 0.00 -0.03 0.00 0.00 54.58 53.45 3k31 n ASN 215 Cb 0.81 1.05 -0.03 0.00 -0.61 0.00 0.00 39.78 41.00 3k31 n ASN 215 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3k31 s SER 216 N -2.23 6.51 0.31 6.41 0.01 -0.29 -4.85 113.70 119.58 3k31 s SER 216 Ca 0.04 2.14 0.07 0.00 1.31 0.00 0.00 55.95 59.50 3k31 s SER 216 Cb 0.09 -2.59 0.76 0.00 0.21 0.00 0.00 66.02 64.48 3k31 s SER 216 CO 0.49 -0.67 1.79 -0.65 0.41 0.00 0.00 173.24 174.61 3k31 h PRO 217 N 2.27 0.73 -0.00 12.44 0.11 -1.75 -0.23 132.00 145.57 3k31 h PRO 217 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3k31 h PRO 217 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3k31 h PRO 217 CO 0.61 0.49 -0.11 1.28 -0.21 0.00 0.00 178.00 180.06 3k31 n LEU 218 N -4.71 0.31 -3.68 2.35 4.77 -1.05 -4.93 117.00 110.05 3k31 n LEU 218 Ca 0.22 0.14 -0.26 0.00 -0.03 0.00 0.00 56.01 56.08 3k31 n LEU 218 Cb 0.56 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.45 3k31 n LEU 218 CO 0.23 0.06 0.19 0.54 -1.33 0.00 0.00 177.39 177.09 3k31 n ARG 219 N -1.17 -7.04 -3.94 3.23 1.74 -0.10 -4.97 116.66 104.42 3k31 n ARG 219 Ca 0.12 0.75 -0.09 0.00 -0.77 0.00 0.00 57.85 57.86 3k31 n ARG 219 Cb 0.29 -5.75 -0.05 0.00 -1.02 0.00 0.00 32.46 25.92 3k31 n ARG 219 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3k31 s ARG 220 N -6.40 1.42 0.32 5.56 1.70 -1.25 -4.90 118.95 115.40 3k31 s ARG 220 Ca 0.61 -1.16 -0.09 0.00 -0.47 0.00 0.00 55.73 54.62 3k31 s ARG 220 Cb -0.28 0.46 -0.06 0.00 -0.57 0.00 0.00 34.95 34.49 3k31 s ARG 220 CO 0.75 -0.58 0.64 -0.80 -1.08 0.00 0.00 175.30 174.24 3k31 s ASN 221 N -2.98 6.54 0.39 -2.89 -0.87 -1.26 -4.50 114.94 109.37 3k31 s ASN 221 Ca 0.19 0.95 -0.26 0.00 -1.57 0.00 0.00 52.86 52.17 3k31 s ASN 221 Cb 0.00 -2.24 -0.11 0.00 -0.02 0.00 0.00 41.25 38.88 3k31 s ASN 221 CO 0.05 -0.24 1.19 0.41 -2.57 0.00 0.00 177.10 175.93 3k31 n THR 222 N -0.86 2.37 -4.32 1.60 -1.04 -1.25 -5.01 114.28 105.78 3k31 n THR 222 Ca 0.01 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.27 3k31 n THR 222 Cb 0.54 -1.43 -0.09 0.00 -1.82 0.00 0.00 70.33 67.53 3k31 n THR 222 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3k31 s THR 223 N -1.18 2.49 0.41 12.58 -4.23 -1.26 -4.38 115.64 120.06 3k31 s THR 223 Ca 0.60 -1.91 0.07 0.00 -1.18 0.00 0.00 61.69 59.28 3k31 s THR 223 Cb -0.55 -2.87 0.25 0.00 1.34 0.00 0.00 72.50 70.67 3k31 s THR 223 CO 0.59 -0.13 2.03 -0.07 -0.54 0.00 0.00 174.62 176.50 3k31 h LEU 224 N 1.72 0.43 -0.78 4.79 3.38 -1.95 -2.22 115.31 120.67 3k31 h LEU 224 Ca -0.43 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 3k31 h LEU 224 Cb 1.25 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3k31 h LEU 224 CO 0.69 0.35 0.04 -0.78 0.09 0.00 0.00 178.44 178.84 3k31 h ASP 225 N 0.50 0.93 -0.01 -0.43 3.58 -1.96 -0.97 116.42 118.06 3k31 h ASP 225 Ca 0.13 -0.23 0.01 0.00 0.42 0.00 0.00 57.03 57.36 3k31 h ASP 225 Cb 0.02 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 3k31 h ASP 225 CO -0.02 0.96 -0.05 0.44 -2.88 0.00 0.00 179.24 177.69 3k31 h ASP 226 N 0.90 -0.13 -0.57 2.28 3.32 -1.81 -1.27 116.42 119.14 3k31 h ASP 226 Ca 0.17 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3k31 h ASP 226 Cb 0.46 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3k31 h ASP 226 CO 0.02 -0.07 0.09 0.58 -1.72 0.00 0.00 179.24 178.14 3k31 h VAL 227 N -0.08 1.25 -0.75 -1.35 2.07 -1.32 -2.51 116.25 113.57 3k31 h VAL 227 Ca 0.02 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 3k31 h VAL 227 Cb 0.11 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3k31 h VAL 227 CO -0.06 0.37 0.40 1.23 0.02 0.00 0.00 177.57 179.53 3k31 h GLY 228 N 1.02 1.13 1.00 2.17 0.00 -1.01 -0.47 103.07 106.92 3k31 h GLY 228 Ca 0.19 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.99 3k31 h GLY 228 CO 0.01 0.51 0.32 -1.33 0.00 0.00 0.00 176.54 176.05 3k31 h GLY 229 N 1.04 0.68 1.47 4.60 0.00 -1.01 0.26 103.07 110.11 3k31 h GLY 229 Ca 0.26 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 3k31 h GLY 229 CO -0.04 0.25 -0.11 0.00 0.00 0.00 0.00 176.54 176.64 3k31 h ALA 230 N 1.18 1.12 -0.48 3.60 0.00 -1.15 -2.18 119.26 121.35 3k31 h ALA 230 Ca 0.18 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3k31 h ALA 230 Cb -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3k31 h ALA 230 CO -0.04 0.55 -0.16 0.00 0.00 0.00 0.00 179.25 179.60 3k31 h ALA 231 N 1.29 0.80 -0.72 0.00 0.00 -0.72 -1.55 119.26 118.37 3k31 h ALA 231 Ca 0.10 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3k31 h ALA 231 Cb 0.54 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3k31 h ALA 231 CO 0.03 0.66 0.45 -0.07 0.00 0.00 0.00 179.25 180.32 3k31 h LEU 232 N 0.82 0.75 0.14 0.00 3.38 -0.66 0.91 115.31 120.65 3k31 h LEU 232 Ca 0.12 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3k31 h LEU 232 Cb 0.71 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 3k31 h LEU 232 CO 0.05 0.52 -0.48 0.22 0.09 0.00 0.00 178.44 178.84 3k31 h TYR 233 N 0.89 -1.38 -0.01 1.13 3.20 -1.12 -1.35 116.97 118.33 3k31 h TYR 233 Ca 0.29 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.08 3k31 h TYR 233 Cb 0.01 0.58 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3k31 h TYR 233 CO -0.04 -0.57 -0.51 -0.07 -1.64 0.00 0.00 178.16 175.33 3k31 h LEU 234 N -0.73 0.03 0.00 2.82 3.38 -0.93 -1.07 115.31 118.81 3k31 h LEU 234 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k31 h LEU 234 Cb 0.74 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3k31 h LEU 234 CO -0.26 0.54 -1.38 0.18 0.09 0.00 0.00 178.44 177.62 3k31 n LEU 235 N -3.93 0.52 0.00 1.67 4.77 0.28 -4.64 117.00 115.67 3k31 n LEU 235 Ca -0.02 0.19 -0.18 0.00 -0.03 0.00 0.00 56.01 55.98 3k31 n LEU 235 Cb 0.53 -0.04 0.10 0.00 -2.33 0.00 0.00 43.42 41.68 3k31 n LEU 235 CO 0.41 -0.10 0.45 -1.54 -1.33 0.00 0.00 177.39 175.27 3k31 n SER 236 N -2.48 0.79 0.17 -1.43 3.41 -0.51 -4.81 113.62 108.76 3k31 n SER 236 Ca -0.01 -1.73 0.13 0.00 -0.26 0.00 0.00 58.87 57.00 3k31 n SER 236 Cb 0.55 -0.52 0.58 0.00 -0.26 0.00 0.00 64.21 64.56 3k31 n SER 236 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3k31 h ASP 237 N -0.59 0.00 -0.44 4.04 3.32 -1.84 -2.68 116.42 118.22 3k31 h ASP 237 Ca -0.25 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.83 3k31 h ASP 237 Cb 0.87 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 3k31 h ASP 237 CO 0.25 0.00 0.29 -0.07 -1.72 0.00 0.00 179.24 177.99 3k31 h LEU 238 N 0.00 0.42 -2.92 1.55 3.38 -1.86 -2.95 115.31 112.92 3k31 h LEU 238 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k31 h LEU 238 Cb 0.29 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3k31 h LEU 238 CO 0.00 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.43 3k31 n GLY 239 N -1.49 2.52 0.38 0.83 0.00 -0.41 -4.60 105.19 102.42 3k31 n GLY 239 Ca 0.05 -0.78 0.20 0.00 0.00 0.00 0.00 46.02 45.49 3k31 n GLY 239 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3k31 h ARG 240 N 3.68 0.00 -0.34 1.61 3.08 -1.67 -2.25 114.38 118.49 3k31 h ARG 240 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k31 h ARG 240 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.48 3k31 h ARG 240 CO 0.26 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.57 3k31 n GLY 241 N -1.55 1.45 3.29 0.04 0.00 -1.26 -4.89 105.19 102.28 3k31 n GLY 241 Ca 0.08 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 3k31 n GLY 241 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k31 s THR 242 N -1.57 2.91 0.02 2.61 2.01 -0.85 -5.11 115.64 115.66 3k31 s THR 242 Ca 0.37 -0.68 -0.17 0.00 0.31 0.00 0.00 61.69 61.52 3k31 s THR 242 Cb 0.22 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.51 3k31 s THR 242 CO 0.31 0.50 0.39 0.28 -0.69 0.00 0.00 174.62 175.40 3k31 s THR 243 N 0.90 0.06 -0.03 -0.82 -1.32 -1.26 -4.72 115.64 108.43 3k31 s THR 243 Ca -0.03 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 3k31 s THR 243 Cb -0.15 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 3k31 s THR 243 CO -0.01 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 3k31 n GLY 244 N 0.77 0.41 3.90 6.08 0.00 0.15 -4.96 105.19 111.54 3k31 n GLY 244 Ca -0.19 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 3k31 n GLY 244 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k31 s GLU 245 N -0.60 3.51 -0.30 1.61 2.56 -1.25 -4.57 118.70 119.65 3k31 s GLU 245 Ca 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 54.97 54.67 3k31 s GLU 245 Cb 0.00 -3.03 0.03 0.00 2.00 0.00 0.00 34.13 33.13 3k31 s GLU 245 CO 0.00 0.61 0.05 0.99 -0.56 0.00 0.00 175.26 176.35 3k31 s THR 246 N -1.43 3.53 -0.21 -1.70 2.01 -1.26 -0.79 115.64 115.79 3k31 s THR 246 Ca 0.32 -1.04 -0.13 0.00 0.31 0.00 0.00 61.69 61.15 3k31 s THR 246 Cb -0.13 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 3k31 s THR 246 CO 0.22 -0.03 0.27 -0.69 -0.69 0.00 0.00 174.62 173.70 3k31 s VAL 247 N 1.39 5.30 -0.15 3.82 1.01 -0.01 -4.85 120.40 126.91 3k31 s VAL 247 Ca -0.01 0.44 -0.27 0.00 0.00 0.00 0.00 61.98 62.14 3k31 s VAL 247 Cb -0.18 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 3k31 s VAL 247 CO 0.01 0.33 0.89 -1.00 0.00 0.00 0.00 175.10 175.33 3k31 s HIS 248 N 0.94 3.45 -0.60 5.22 3.76 -1.26 -0.41 115.29 126.38 3k31 s HIS 248 Ca 0.13 1.37 0.05 0.00 -0.15 0.00 0.00 55.06 56.46 3k31 s HIS 248 Cb -0.14 -3.07 0.20 0.00 1.11 0.00 0.00 32.58 30.68 3k31 s HIS 248 CO 0.05 -0.23 0.53 0.28 -0.85 0.00 0.00 174.74 174.52 3k31 n VAL 249 N 4.67 1.04 -2.05 -0.90 0.31 0.06 -4.87 118.33 116.58 3k31 n VAL 249 Ca 0.06 -4.60 0.00 0.00 -0.01 0.00 0.00 64.34 59.79 3k31 n VAL 249 Cb 0.49 -2.04 -0.00 0.00 -0.91 0.00 0.00 33.84 31.38 3k31 n VAL 249 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3k31 n ASP 250 N 1.78 0.06 -2.01 4.52 5.75 -1.26 -1.17 116.55 124.23 3k31 n ASP 250 Ca 0.25 -1.79 -0.18 0.00 -0.01 0.00 0.00 54.79 53.06 3k31 n ASP 250 Cb 0.41 -0.15 -0.04 0.00 -1.03 0.00 0.00 41.12 40.31 3k31 n ASP 250 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k31 n GLY 252 N -0.67 0.74 0.36 0.00 0.00 -1.26 -2.53 105.19 101.83 3k31 n GLY 252 Ca -0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.92 3k31 n GLY 252 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3k31 h TYR 253 N 0.00 1.07 -0.13 1.61 3.20 -1.78 -1.49 116.97 119.45 3k31 h TYR 253 Ca 0.00 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.94 3k31 h TYR 253 Cb 0.00 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 3k31 h TYR 253 CO 0.00 0.34 0.31 1.12 -1.64 0.00 0.00 178.16 178.30 3k31 h HIS 254 N 0.86 0.00 0.00 -3.82 2.07 -1.93 -1.52 115.15 110.81 3k31 h HIS 254 Ca 0.53 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.05 3k31 h HIS 254 Cb 0.70 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.68 3k31 h HIS 254 CO -0.00 0.00 -0.22 1.33 -3.07 0.00 0.00 177.93 175.97 3k31 n VAL 255 N -3.24 0.35 -2.66 6.12 0.24 -0.56 -4.87 118.33 113.70 3k31 n VAL 255 Ca 0.01 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.34 61.69 3k31 n VAL 255 Cb 0.41 -0.36 -0.03 0.00 -1.47 0.00 0.00 33.84 32.39 3k31 n VAL 255 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3k31 s VAL 256 N -3.09 4.72 -1.67 3.34 1.01 -0.57 -4.93 120.40 119.21 3k31 s VAL 256 Ca 0.10 1.99 0.22 0.00 0.00 0.00 0.00 61.98 64.30 3k31 s VAL 256 Cb 0.14 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 3k31 s VAL 256 CO 0.63 0.01 1.08 0.61 0.00 0.00 0.00 175.10 177.42 3k31 n GLY 257 N 3.12 -0.37 3.59 4.51 0.00 -1.26 -4.97 105.19 109.80 3k31 n GLY 257 Ca 0.09 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 3k31 n GLY 257 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3k31 s MET 258 N -2.66 0.85 0.11 1.61 -2.45 -1.26 -5.13 119.30 110.37 3k31 s MET 258 Ca 0.15 0.59 -0.35 0.00 -1.25 0.00 0.00 55.69 54.84 3k31 s MET 258 Cb 0.18 0.41 -0.17 0.00 1.25 0.00 0.00 34.83 36.49 3k31 s MET 258 CO 0.66 -0.19 1.04 1.17 1.05 0.00 0.00 175.02 178.75 3k31 n LYS 259 N 1.78 0.57 -1.75 4.11 4.81 -1.26 -4.86 118.16 121.57 3k31 n LYS 259 Ca -0.15 0.21 -0.40 0.00 -0.87 0.00 0.00 58.31 57.09 3k31 n LYS 259 Cb 0.56 -1.63 0.02 0.00 0.02 0.00 0.00 35.03 34.00 3k31 n LYS 259 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3k31 n SER 260 N 1.90 3.13 0.23 3.14 7.64 -1.26 -4.85 113.62 123.54 3k31 n SER 260 Ca 0.18 1.11 0.06 0.00 1.01 0.00 0.00 58.87 61.22 3k31 n SER 260 Cb 0.19 -1.58 0.52 0.00 -1.01 0.00 0.00 64.21 62.32 3k31 n SER 260 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 3k31 h VAL 261 N 2.21 1.11 -0.40 0.44 3.04 -2.00 -1.33 116.25 119.32 3k31 h VAL 261 Ca -0.50 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 3k31 h VAL 261 Cb 1.28 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 3k31 h VAL 261 CO 0.61 0.17 0.00 0.47 -1.01 0.00 0.00 177.57 177.80 3k31 n ASP 262 N -4.31 4.49 -4.84 3.17 8.00 -1.26 -4.92 116.55 116.88 3k31 n ASP 262 Ca -0.02 -2.89 -0.36 0.00 0.71 0.00 0.00 54.79 52.23 3k31 n ASP 262 Cb 0.24 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.70 3k31 n ASP 262 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k31 s ALA 263 N -2.63 3.63 0.37 2.24 0.00 -0.50 -5.07 121.76 119.80 3k31 s ALA 263 Ca 0.46 -0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 3k31 s ALA 263 Cb 0.35 -2.46 -0.09 0.00 0.00 0.00 0.00 23.12 20.92 3k31 s ALA 263 CO 0.13 0.48 1.09 -1.25 0.00 0.00 0.00 175.76 176.21 3k31 s PRO 264 N -1.74 4.23 0.57 0.00 0.04 -1.26 -4.85 135.00 131.98 3k31 s PRO 264 Ca 0.34 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 62.85 3k31 s PRO 264 Cb -0.15 -2.71 -0.05 0.00 0.04 0.00 0.00 34.50 31.63 3k31 s PRO 264 CO 0.18 -0.12 1.17 0.34 0.04 0.00 0.00 177.00 178.61 3k31 s ASP 265 N -1.31 5.48 0.00 6.66 -1.08 -1.26 -5.08 116.67 120.08 3k31 s ASP 265 Ca 0.55 2.28 0.00 0.00 -0.52 0.00 0.00 52.55 54.86 3k31 s ASP 265 Cb -0.26 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.61 3k31 s ASP 265 CO 0.33 -1.39 0.12 2.30 0.52 0.00 0.00 175.17 177.06