#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 s VAL 2 N 0.00 4.92 -0.05 3.84 1.01 -1.26 -4.02 120.40 124.84 3cx5 s VAL 2 Ca 0.00 1.20 -0.03 0.00 0.00 0.00 0.00 61.98 63.16 3cx5 s VAL 2 Cb 0.00 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.50 3cx5 s VAL 2 CO 0.00 0.43 0.11 -0.54 0.00 0.00 0.00 175.10 175.10 3cx5 s LYS 3 N -0.25 0.08 -0.28 2.72 -0.14 -0.35 -5.00 119.74 116.52 3cx5 s LYS 3 Ca 0.30 0.24 -0.02 0.00 -1.36 0.00 0.00 55.97 55.14 3cx5 s LYS 3 Cb -0.18 -0.09 0.04 0.00 -1.68 0.00 0.00 37.83 35.92 3cx5 s LYS 3 CO 0.17 -0.10 -0.02 -0.51 -0.76 0.00 0.00 175.35 174.12 3cx5 s LEU 4 N 0.69 3.63 -0.30 3.17 1.02 -1.26 -1.25 118.68 124.39 3cx5 s LEU 4 Ca -0.05 -1.10 -0.07 0.00 0.02 0.00 0.00 54.13 52.93 3cx5 s LEU 4 Cb -0.07 -1.70 0.00 0.00 0.02 0.00 0.00 46.19 44.44 3cx5 s LEU 4 CO -0.03 -0.21 0.09 -1.58 0.02 0.00 0.00 176.35 174.64 3cx5 s GLN 5 N 1.29 3.15 0.22 1.70 2.00 0.45 -3.97 119.66 124.51 3cx5 s GLN 5 Ca -0.03 -0.82 -0.11 0.00 -2.00 0.00 0.00 55.36 52.40 3cx5 s GLN 5 Cb -0.18 -3.40 -0.07 0.00 0.80 0.00 0.00 33.01 30.15 3cx5 s GLN 5 CO -0.02 -0.43 0.56 -1.21 -0.50 0.00 0.00 175.29 173.69 3cx5 s GLU 6 N 1.52 3.84 0.19 1.67 2.02 -1.26 0.19 118.70 126.88 3cx5 s GLU 6 Ca 0.03 0.33 -0.16 0.00 0.02 0.00 0.00 54.97 55.19 3cx5 s GLU 6 Cb -0.17 -2.68 0.02 0.00 0.10 0.00 0.00 34.13 31.40 3cx5 s GLU 6 CO 0.03 0.33 0.48 -1.54 0.02 0.00 0.00 175.26 174.58 3cx5 s SER 7 N -2.25 -0.20 0.00 -0.19 1.04 -0.42 -4.98 113.70 106.71 3cx5 s SER 7 Ca 0.46 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3cx5 s SER 7 Cb -0.12 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3cx5 s SER 7 CO 0.21 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.01 3cx5 n GLY 8 N -0.32 3.71 3.65 7.32 0.00 -1.26 -1.44 105.19 116.84 3cx5 n GLY 8 Ca -0.09 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 3cx5 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cx5 s ALA 9 N -2.30 3.43 -0.32 4.61 0.00 -1.26 -4.89 121.76 121.04 3cx5 s ALA 9 Ca 0.00 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.75 3cx5 s ALA 9 Cb 0.00 -3.81 0.34 0.00 0.00 0.00 0.00 23.12 19.65 3cx5 s ALA 9 CO 0.00 -1.70 1.74 0.41 0.00 0.00 0.00 175.76 176.21 3cx5 n GLY 10 N 4.45 3.88 3.33 0.00 0.00 -1.26 -4.72 105.19 110.87 3cx5 n GLY 10 Ca 0.19 -0.93 0.02 0.00 0.00 0.00 0.00 46.02 45.30 3cx5 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cx5 s LEU 11 N -2.06 -1.24 0.07 0.99 0.20 -1.26 -1.90 118.68 113.47 3cx5 s LEU 11 Ca 0.35 1.09 0.06 0.00 0.69 0.00 0.00 54.13 56.32 3cx5 s LEU 11 Cb 0.29 2.17 -0.03 0.00 -0.43 0.00 0.00 46.19 48.19 3cx5 s LEU 11 CO 0.04 -0.23 -0.15 0.68 -0.29 0.00 0.00 176.35 176.39 3cx5 s VAL 12 N 2.86 1.21 0.13 1.68 -7.23 -0.60 -4.94 120.40 113.52 3cx5 s VAL 12 Ca 0.10 -1.28 -0.17 0.00 -1.81 0.00 0.00 61.98 58.82 3cx5 s VAL 12 Cb -0.13 -1.14 -0.07 0.00 0.56 0.00 0.00 36.38 35.60 3cx5 s VAL 12 CO -0.20 -0.14 0.59 -1.10 -0.31 0.00 0.00 175.10 173.94 3cx5 s GLN 13 N -1.63 4.12 0.35 4.82 -0.21 -1.22 -0.43 119.66 125.46 3cx5 s GLN 13 Ca 0.00 0.66 -0.25 0.00 0.02 0.00 0.00 55.36 55.78 3cx5 s GLN 13 Cb -0.10 -3.04 -0.13 0.00 1.00 0.00 0.00 33.01 30.75 3cx5 s GLN 13 CO 0.02 0.52 0.83 -0.35 -2.12 0.00 0.00 175.29 174.20 3cx5 n PRO 14 N 1.13 1.00 0.00 2.91 -0.04 -1.26 -1.88 135.00 136.87 3cx5 n PRO 14 Ca -0.07 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 3cx5 n PRO 14 Cb 0.51 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 3cx5 n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3cx5 n SER 15 N 1.12 0.00 -2.57 3.54 3.41 0.12 -4.90 113.62 114.36 3cx5 n SER 15 Ca 0.11 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.65 3cx5 n SER 15 Cb 0.35 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.35 3cx5 n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cx5 n GLN 16 N -2.00 -0.03 -4.59 4.33 1.13 -0.79 -3.84 117.38 111.59 3cx5 n GLN 16 Ca 0.00 -0.61 -0.34 0.00 -1.94 0.00 0.00 57.00 54.11 3cx5 n GLN 16 Cb 0.00 -0.29 -0.11 0.00 0.11 0.00 0.00 30.24 29.95 3cx5 n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3cx5 s SER 17 N -2.19 4.66 -0.27 1.08 0.01 -1.26 -1.55 113.70 114.18 3cx5 s SER 17 Ca 0.19 -0.04 -0.15 0.00 1.31 0.00 0.00 55.95 57.26 3cx5 s SER 17 Cb -0.01 -1.29 -0.04 0.00 0.21 0.00 0.00 66.02 64.90 3cx5 s SER 17 CO 0.13 0.33 0.37 -0.22 0.41 0.00 0.00 173.24 174.26 3cx5 s LEU 18 N -0.59 4.04 -0.23 2.44 2.96 -0.48 -4.94 118.68 121.88 3cx5 s LEU 18 Ca 0.09 0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 54.30 3cx5 s LEU 18 Cb -0.12 -2.43 0.03 0.00 0.50 0.00 0.00 46.19 44.17 3cx5 s LEU 18 CO 0.02 -0.18 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.33 3cx5 s SER 19 N 1.60 4.02 0.07 3.68 0.01 -1.26 -1.68 113.70 120.13 3cx5 s SER 19 Ca 0.15 -0.85 0.08 0.00 1.31 0.00 0.00 55.95 56.64 3cx5 s SER 19 Cb -0.16 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.44 3cx5 s SER 19 CO 0.10 -0.09 -0.23 -0.76 0.41 0.00 0.00 173.24 172.67 3cx5 s LEU 20 N 1.30 2.22 0.02 2.44 1.43 -0.54 -4.05 118.68 121.49 3cx5 s LEU 20 Ca 0.01 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.56 3cx5 s LEU 20 Cb -0.16 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 3cx5 s LEU 20 CO -0.07 0.16 -0.17 0.42 0.23 0.00 0.00 176.35 176.92 3cx5 s THR 21 N -0.91 1.38 -0.24 5.49 -4.23 -0.52 -0.69 115.64 115.92 3cx5 s THR 21 Ca 0.09 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 3cx5 s THR 21 Cb -0.09 -1.19 0.06 0.00 1.34 0.00 0.00 72.50 72.61 3cx5 s THR 21 CO 0.03 0.21 -0.09 0.00 -0.54 0.00 0.00 174.62 174.23 3cx5 s SER 23 N 1.25 6.41 -0.14 0.00 0.01 0.13 -2.22 113.70 119.14 3cx5 s SER 23 Ca -0.06 0.13 -0.08 0.00 1.31 0.00 0.00 55.95 57.25 3cx5 s SER 23 Cb -0.19 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 3cx5 s SER 23 CO -0.06 -0.57 0.13 -0.69 0.41 0.00 0.00 173.24 172.46 3cx5 s VAL 24 N 2.66 5.46 0.04 3.43 1.01 -0.86 -0.41 120.40 131.72 3cx5 s VAL 24 Ca 0.24 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.44 3cx5 s VAL 24 Cb -0.15 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3cx5 s VAL 24 CO 0.14 0.56 -0.09 0.42 0.00 0.00 0.00 175.10 176.14 3cx5 s THR 25 N -0.59 0.62 0.00 3.92 -4.23 -0.38 -4.79 115.64 110.19 3cx5 s THR 25 Ca 0.13 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 3cx5 s THR 25 Cb -0.12 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.07 3cx5 s THR 25 CO 0.02 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 3cx5 n GLY 26 N 1.66 0.69 3.65 3.99 0.00 -1.26 -1.21 105.19 112.71 3cx5 n GLY 26 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 3cx5 n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cx5 s TYR 27 N -2.42 -0.47 0.09 1.61 5.04 -1.26 -4.46 117.35 115.48 3cx5 s TYR 27 Ca 0.00 0.94 -0.30 0.00 -2.44 0.00 0.00 57.07 55.27 3cx5 s TYR 27 Cb 0.00 0.28 -0.06 0.00 0.35 0.00 0.00 41.96 42.54 3cx5 s TYR 27 CO 0.00 -0.23 1.03 0.45 -1.34 0.00 0.00 175.55 175.46 3cx5 s SER 28 N 1.28 7.35 0.52 4.32 0.15 -1.26 -4.94 113.70 121.12 3cx5 s SER 28 Ca -0.09 1.87 0.24 0.00 0.70 0.00 0.00 55.95 58.67 3cx5 s SER 28 Cb -0.03 -2.59 1.40 0.00 -1.71 0.00 0.00 66.02 63.09 3cx5 s SER 28 CO -0.14 -0.21 2.10 0.40 1.20 0.00 0.00 173.24 176.60 3cx5 h ILE 29 N 4.20 0.74 0.00 6.45 1.08 -1.91 -2.43 117.51 125.64 3cx5 h ILE 29 Ca -0.43 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 3cx5 h ILE 29 Cb 1.21 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.20 3cx5 h ILE 29 CO 0.74 0.10 -0.68 1.07 -0.69 0.00 0.00 178.15 178.69 3cx5 n THR 30 N -3.93 0.23 -0.12 -0.27 5.66 -1.26 -4.31 114.28 110.28 3cx5 n THR 30 Ca -0.02 -0.20 -0.08 0.00 -3.05 0.00 0.00 64.05 60.70 3cx5 n THR 30 Cb 0.19 0.03 0.01 0.00 -1.55 0.00 0.00 70.33 69.01 3cx5 n THR 30 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3cx5 h SER 31 N 0.00 0.39 0.00 1.09 0.02 -1.72 -3.44 113.55 109.89 3cx5 h SER 31 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3cx5 h SER 31 Cb 0.68 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3cx5 h SER 31 CO 0.00 0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 3cx5 n GLY 32 N -1.21 -1.83 3.56 -3.77 0.00 -1.26 -5.06 105.19 95.62 3cx5 n GLY 32 Ca 0.01 -1.13 0.05 0.00 0.00 0.00 0.00 46.02 44.95 3cx5 n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cx5 n TYR 33 N -0.08 -2.20 -5.21 1.61 4.01 -1.26 -4.66 117.16 109.37 3cx5 n TYR 33 Ca 0.00 0.48 -0.31 0.00 -0.16 0.00 0.00 57.90 57.90 3cx5 n TYR 33 Cb 0.00 -0.82 -0.15 0.00 -0.31 0.00 0.00 39.34 38.06 3cx5 n TYR 33 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3cx5 s TYR 34 N -0.87 2.43 -0.42 -0.72 2.02 -0.39 -2.44 117.35 116.96 3cx5 s TYR 34 Ca 0.00 -0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 56.23 3cx5 s TYR 34 Cb 0.00 -1.54 0.10 0.00 -0.40 0.00 0.00 41.96 40.12 3cx5 s TYR 34 CO 0.00 -0.02 0.23 -1.58 -1.57 0.00 0.00 175.55 172.61 3cx5 s TRP 35 N -0.56 3.48 0.51 2.71 0.52 -0.85 0.84 118.94 125.59 3cx5 s TRP 35 Ca 0.08 -2.10 0.04 0.00 0.02 0.00 0.00 56.10 54.15 3cx5 s TRP 35 Cb -0.11 -3.15 0.03 0.00 -1.15 0.00 0.00 33.47 29.09 3cx5 s TRP 35 CO 0.00 -0.94 0.71 -0.80 0.02 0.00 0.00 176.95 175.94 3cx5 s ASN 36 N 2.02 5.35 -0.04 2.95 0.01 0.92 -2.20 114.94 123.96 3cx5 s ASN 36 Ca 0.06 -0.24 -0.01 0.00 -0.71 0.00 0.00 52.86 51.96 3cx5 s ASN 36 Cb -0.23 -0.66 0.03 0.00 0.41 0.00 0.00 41.25 40.79 3cx5 s ASN 36 CO -0.02 -1.05 0.02 0.26 -1.51 0.00 0.00 177.10 174.80 3cx5 s TRP 37 N -2.62 0.25 0.13 2.20 0.52 -0.80 -1.24 118.94 117.37 3cx5 s TRP 37 Ca 0.57 0.07 0.04 0.00 0.02 0.00 0.00 56.10 56.80 3cx5 s TRP 37 Cb -0.10 -0.45 -0.04 0.00 -1.15 0.00 0.00 33.47 31.73 3cx5 s TRP 37 CO 0.37 -0.17 -0.09 0.96 0.02 0.00 0.00 176.95 178.04 3cx5 s ILE 38 N 1.47 1.01 0.03 2.03 -4.36 0.11 -1.28 121.20 120.20 3cx5 s ILE 38 Ca -0.04 -1.97 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 3cx5 s ILE 38 Cb -0.13 -1.74 -0.02 0.00 1.25 0.00 0.00 42.46 41.82 3cx5 s ILE 38 CO -0.03 -0.76 -0.15 0.00 0.24 0.00 0.00 174.94 174.25 3cx5 s ARG 39 N -3.64 1.04 -0.33 0.37 1.70 -0.45 0.03 118.95 117.67 3cx5 s ARG 39 Ca 0.14 -0.72 -0.01 0.00 -0.47 0.00 0.00 55.73 54.67 3cx5 s ARG 39 Cb 0.03 -1.05 0.07 0.00 -0.57 0.00 0.00 34.95 33.42 3cx5 s ARG 39 CO -0.01 0.27 0.04 -1.17 -1.08 0.00 0.00 175.30 173.35 3cx5 s LEU 40 N -0.95 4.27 0.78 -1.89 2.96 0.05 -1.19 118.68 122.71 3cx5 s LEU 40 Ca 0.03 -1.57 -0.12 0.00 -0.22 0.00 0.00 54.13 52.26 3cx5 s LEU 40 Cb -0.07 -1.71 0.07 0.00 0.50 0.00 0.00 46.19 44.97 3cx5 s LEU 40 CO 0.01 -0.33 1.12 -0.36 -1.32 0.00 0.00 176.35 175.47 3cx5 s PHE 41 N 1.17 2.29 0.44 5.38 0.40 -0.82 -1.76 117.98 125.08 3cx5 s PHE 41 Ca -0.00 1.62 0.17 0.00 -0.60 0.00 0.00 56.93 58.11 3cx5 s PHE 41 Cb -0.20 -3.19 1.09 0.00 0.51 0.00 0.00 43.02 41.23 3cx5 s PHE 41 CO -0.03 -2.12 1.92 -1.00 0.70 0.00 0.00 175.22 174.69 3cx5 h PRO 42 N -0.99 0.36 0.00 0.24 0.13 -1.91 0.16 132.00 129.99 3cx5 h PRO 42 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3cx5 h PRO 42 Cb 1.25 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3cx5 h PRO 42 CO 0.49 0.24 0.00 0.41 -0.23 0.00 0.00 178.00 178.91 3cx5 n GLY 43 N -1.54 -0.61 2.64 1.56 0.00 -1.26 -4.86 105.19 101.13 3cx5 n GLY 43 Ca 0.15 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 3cx5 n GLY 43 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3cx5 n ASN 44 N -0.79 -4.99 -3.76 1.61 5.15 0.56 -5.07 115.26 107.98 3cx5 n ASN 44 Ca 0.08 -0.46 -0.16 0.00 -0.60 0.00 0.00 54.58 53.44 3cx5 n ASN 44 Cb 0.04 -3.59 -0.16 0.00 -0.53 0.00 0.00 39.78 35.54 3cx5 n ASN 44 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3cx5 s LYS 45 N -3.93 -0.04 0.31 1.20 -2.85 -1.23 -4.96 119.74 108.23 3cx5 s LYS 45 Ca 0.29 0.22 -0.18 0.00 -1.00 0.00 0.00 55.97 55.31 3cx5 s LYS 45 Cb -0.04 -0.28 -0.09 0.00 -2.06 0.00 0.00 37.83 35.36 3cx5 s LYS 45 CO 0.48 -0.19 0.78 -0.51 0.10 0.00 0.00 175.35 176.01 3cx5 s LEU 46 N 1.23 4.15 -0.08 2.77 1.43 -1.26 -1.94 118.68 124.99 3cx5 s LEU 46 Ca -0.07 1.42 -0.03 0.00 -1.03 0.00 0.00 54.13 54.41 3cx5 s LEU 46 Cb -0.13 -3.99 0.05 0.00 0.03 0.00 0.00 46.19 42.15 3cx5 s LEU 46 CO -0.03 -0.15 0.17 -0.70 0.23 0.00 0.00 176.35 175.88 3cx5 s GLU 47 N -2.64 0.08 -0.12 1.70 2.12 -0.33 -5.00 118.70 114.52 3cx5 s GLU 47 Ca 0.52 0.51 -0.29 0.00 0.36 0.00 0.00 54.97 56.06 3cx5 s GLU 47 Cb -0.13 -0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.04 3cx5 s GLU 47 CO 0.18 -0.24 1.30 -0.46 -0.54 0.00 0.00 175.26 175.50 3cx5 s TRP 48 N 1.79 2.82 -0.13 5.30 -0.00 -1.26 -1.34 118.94 126.13 3cx5 s TRP 48 Ca -0.03 0.95 -0.14 0.00 -0.00 0.00 0.00 56.10 56.88 3cx5 s TRP 48 Cb -0.12 -3.54 -0.12 0.00 -0.00 0.00 0.00 33.47 29.69 3cx5 s TRP 48 CO -0.06 -1.90 0.32 0.28 -0.00 0.00 0.00 176.95 175.58 3cx5 h VAL 49 N 5.37 0.81 0.00 5.86 2.07 -1.54 -3.42 116.25 125.40 3cx5 h VAL 49 Ca -0.30 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.57 3cx5 h VAL 49 Cb 1.13 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3cx5 h VAL 49 CO 0.95 0.28 0.00 0.61 0.02 0.00 0.00 177.57 179.42 3cx5 n GLY 50 N 1.67 -1.24 3.71 2.17 0.00 -1.13 -0.92 105.19 109.45 3cx5 n GLY 50 Ca -0.07 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 3cx5 n GLY 50 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cx5 s TYR 51 N -3.00 0.45 -0.04 1.61 -0.00 -0.41 -1.91 117.35 114.06 3cx5 s TYR 51 Ca 0.00 -1.01 -0.02 0.00 -0.00 0.00 0.00 57.07 56.04 3cx5 s TYR 51 Cb 0.00 0.57 0.03 0.00 -0.00 0.00 0.00 41.96 42.56 3cx5 s TYR 51 CO 0.00 -1.49 0.06 -1.50 -0.00 0.00 0.00 175.55 172.63 3cx5 s ILE 52 N -2.34 -0.11 1.09 -3.49 2.07 -0.94 -2.72 121.20 114.76 3cx5 s ILE 52 Ca 0.20 0.39 -0.15 0.00 -1.41 0.00 0.00 60.65 59.69 3cx5 s ILE 52 Cb -0.04 -0.15 0.23 0.00 0.13 0.00 0.00 42.46 42.64 3cx5 s ILE 52 CO 0.15 0.17 1.10 -0.94 -1.91 0.00 0.00 174.94 173.51 3cx5 s SER 53 N 2.01 1.89 0.44 4.50 1.04 0.82 -2.01 113.70 122.40 3cx5 s SER 53 Ca 0.03 0.92 0.30 0.00 0.48 0.00 0.00 55.95 57.68 3cx5 s SER 53 Cb -0.12 -1.40 1.28 0.00 0.10 0.00 0.00 66.02 65.88 3cx5 s SER 53 CO -0.03 -3.56 1.89 -0.55 0.98 0.00 0.00 173.24 171.98 3cx5 h ASN 54 N -2.19 0.00 1.04 7.02 7.08 -1.67 -2.33 115.58 124.54 3cx5 h ASN 54 Ca -0.51 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 52.65 3cx5 h ASN 54 Cb 1.32 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.55 3cx5 h ASN 54 CO 0.48 0.00 -0.99 0.58 -2.08 0.00 0.00 177.43 175.42 3cx5 h VAL 55 N 0.00 0.21 0.00 6.14 2.07 -1.86 -3.40 116.25 119.42 3cx5 h VAL 55 Ca 0.00 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3cx5 h VAL 55 Cb 0.40 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3cx5 h VAL 55 CO 0.00 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.32 3cx5 n GLY 56 N 1.24 1.15 3.82 2.17 0.00 -0.88 -5.11 105.19 107.59 3cx5 n GLY 56 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3cx5 n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cx5 s ASP 57 N -1.72 6.98 0.26 1.61 -0.00 -1.26 -4.77 116.67 117.76 3cx5 s ASP 57 Ca 0.00 1.48 0.07 0.00 -0.00 0.00 0.00 52.55 54.10 3cx5 s ASP 57 Cb 0.00 -2.45 -0.03 0.00 -0.00 0.00 0.00 42.92 40.44 3cx5 s ASP 57 CO 0.00 -0.14 0.21 0.20 -0.00 0.00 0.00 175.17 175.45 3cx5 s ASN 58 N -1.96 5.53 -0.29 0.27 -0.87 -1.26 -0.12 114.94 116.24 3cx5 s ASN 58 Ca 0.51 -0.26 0.03 0.00 -1.57 0.00 0.00 52.86 51.57 3cx5 s ASN 58 Cb -0.13 -1.38 0.18 0.00 -0.02 0.00 0.00 41.25 39.90 3cx5 s ASN 58 CO 0.19 -0.07 0.53 0.21 -2.57 0.00 0.00 177.10 175.38 3cx5 s ASN 59 N -3.86 -0.91 0.03 -1.22 3.04 -1.10 -4.98 114.94 105.94 3cx5 s ASN 59 Ca 0.34 0.16 0.01 0.00 0.04 0.00 0.00 52.86 53.41 3cx5 s ASN 59 Cb -0.08 1.74 -0.04 0.00 -1.54 0.00 0.00 41.25 41.34 3cx5 s ASN 59 CO 0.25 -0.31 0.07 -0.31 -3.04 0.00 0.00 177.10 173.77 3cx5 s TYR 60 N 2.74 3.22 -0.02 0.43 2.02 -1.26 -1.29 117.35 123.19 3cx5 s TYR 60 Ca 0.12 0.14 -0.30 0.00 -0.37 0.00 0.00 57.07 56.66 3cx5 s TYR 60 Cb -0.12 -1.68 -0.06 0.00 -0.40 0.00 0.00 41.96 39.70 3cx5 s TYR 60 CO -0.25 0.53 1.59 1.21 -1.57 0.00 0.00 175.55 177.05 3cx5 s ASN 61 N -2.00 6.70 0.64 2.29 3.04 -0.09 -4.77 114.94 120.74 3cx5 s ASN 61 Ca 0.25 2.24 0.26 0.00 0.04 0.00 0.00 52.86 55.66 3cx5 s ASN 61 Cb -0.12 -2.54 1.39 0.00 -1.54 0.00 0.00 41.25 38.43 3cx5 s ASN 61 CO 0.17 -0.87 1.79 1.55 -3.04 0.00 0.00 177.10 176.70 3cx5 h PRO 62 N 8.90 0.00 0.00 0.43 0.13 -1.95 0.27 132.00 139.79 3cx5 h PRO 62 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3cx5 h PRO 62 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3cx5 h PRO 62 CO 0.94 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 179.16 3cx5 n SER 63 N -3.13 0.00 0.00 1.44 2.88 -1.26 -3.49 113.62 110.06 3cx5 n SER 63 Ca 0.03 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 3cx5 n SER 63 Cb 0.58 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 3cx5 n SER 63 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3cx5 n LEU 64 N -1.47 0.00 -0.33 2.46 4.77 0.72 -4.95 117.00 118.19 3cx5 n LEU 64 Ca 0.04 0.00 0.23 0.00 -0.03 0.00 0.00 56.01 56.25 3cx5 n LEU 64 Cb 0.17 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.70 3cx5 n LEU 64 CO 0.13 0.01 0.94 0.07 -1.33 0.00 0.00 177.39 177.22 3cx5 h LYS 65 N 0.00 0.02 0.00 3.23 2.10 -0.90 0.27 116.57 121.29 3cx5 h LYS 65 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3cx5 h LYS 65 Cb 0.15 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 3cx5 h LYS 65 CO 0.00 0.01 0.00 -0.40 -2.00 0.00 0.00 179.45 177.06 3cx5 n ASP 66 N -5.36 0.68 -0.08 7.07 5.75 -1.26 -3.95 116.55 119.41 3cx5 n ASP 66 Ca 0.31 0.65 -0.10 0.00 -0.01 0.00 0.00 54.79 55.63 3cx5 n ASP 66 Cb 1.02 -0.80 -0.07 0.00 -1.03 0.00 0.00 41.12 40.24 3cx5 n ASP 66 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3cx5 n ARG 67 N -2.23 0.44 -2.34 0.11 1.74 0.87 -5.02 116.66 110.23 3cx5 n ARG 67 Ca 0.03 0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 56.88 3cx5 n ARG 67 Cb 0.26 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 3cx5 n ARG 67 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3cx5 s LEU 68 N -5.86 3.55 -0.33 0.55 0.05 -0.81 -2.60 118.68 113.22 3cx5 s LEU 68 Ca -0.20 1.41 0.02 0.00 0.05 0.00 0.00 54.13 55.41 3cx5 s LEU 68 Cb 0.05 -4.37 0.15 0.00 -2.05 0.00 0.00 46.19 39.97 3cx5 s LEU 68 CO 0.36 -0.64 0.35 -0.55 -0.55 0.00 0.00 176.35 175.32 3cx5 s SER 69 N -3.47 1.32 -0.41 1.48 0.15 -0.15 -4.93 113.70 107.69 3cx5 s SER 69 Ca 0.56 -1.19 -0.21 0.00 0.70 0.00 0.00 55.95 55.80 3cx5 s SER 69 Cb -0.10 0.57 0.02 0.00 -1.71 0.00 0.00 66.02 64.79 3cx5 s SER 69 CO 0.39 -0.32 0.68 -0.63 1.20 0.00 0.00 173.24 174.56 3cx5 s ILE 70 N 1.85 4.80 0.28 6.45 1.01 -1.26 -2.99 121.20 131.34 3cx5 s ILE 70 Ca 0.14 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.15 3cx5 s ILE 70 Cb -0.15 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.13 3cx5 s ILE 70 CO -0.16 -0.53 0.04 0.35 0.00 0.00 0.00 174.94 174.63 3cx5 n THR 71 N 5.84 0.00 -3.82 2.92 -2.24 -1.14 -4.87 114.28 110.96 3cx5 n THR 71 Ca -0.00 -1.27 -0.09 0.00 -2.27 0.00 0.00 64.05 60.41 3cx5 n THR 71 Cb 0.48 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 3cx5 n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cx5 s ARG 72 N -3.02 1.38 -0.28 -0.78 1.70 -1.26 -0.40 118.95 116.29 3cx5 s ARG 72 Ca 0.03 -0.98 -0.01 0.00 -0.47 0.00 0.00 55.73 54.29 3cx5 s ARG 72 Cb -0.00 0.49 0.09 0.00 -0.57 0.00 0.00 34.95 34.96 3cx5 s ARG 72 CO 0.02 -0.57 0.08 0.34 -1.08 0.00 0.00 175.30 174.09 3cx5 s ASP 73 N -2.91 3.77 0.21 -2.89 -1.08 0.20 -4.98 116.67 108.98 3cx5 s ASP 73 Ca 0.12 -1.43 -0.10 0.00 -0.52 0.00 0.00 52.55 50.63 3cx5 s ASP 73 Cb -0.00 -0.78 0.22 0.00 -1.46 0.00 0.00 42.92 40.90 3cx5 s ASP 73 CO -0.00 -0.39 1.81 0.74 0.52 0.00 0.00 175.17 177.85 3cx5 h THR 74 N 6.50 0.99 -0.77 1.71 2.02 -1.97 -0.45 112.91 120.94 3cx5 h THR 74 Ca -0.15 -0.24 0.06 0.00 0.77 0.00 0.00 66.41 66.84 3cx5 h THR 74 Cb 1.04 0.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 3cx5 h THR 74 CO 0.44 0.13 0.46 0.28 0.37 0.00 0.00 175.52 177.20 3cx5 h SER 75 N 0.71 0.72 0.27 4.18 0.02 -1.95 -2.39 113.55 115.11 3cx5 h SER 75 Ca 0.29 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3cx5 h SER 75 Cb 0.15 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3cx5 h SER 75 CO -0.16 0.47 -0.44 0.29 -1.14 0.00 0.00 176.83 175.84 3cx5 n LYS 76 N -4.68 0.50 -3.45 3.45 5.02 -1.10 -4.99 118.16 112.91 3cx5 n LYS 76 Ca 0.10 -0.33 -0.23 0.00 -2.02 0.00 0.00 58.31 55.84 3cx5 n LYS 76 Cb 0.16 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.74 3cx5 n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3cx5 n ASN 77 N -0.96 -6.06 -3.69 4.39 4.05 -0.20 -4.78 115.26 108.01 3cx5 n ASN 77 Ca 0.09 -0.85 -0.15 0.00 0.45 0.00 0.00 54.58 54.12 3cx5 n ASN 77 Cb 0.36 -4.36 -0.08 0.00 1.23 0.00 0.00 39.78 36.92 3cx5 n ASN 77 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3cx5 s GLN 78 N -5.13 0.77 0.23 1.20 -2.07 -1.05 -2.03 119.66 111.58 3cx5 s GLN 78 Ca 0.47 -0.01 0.12 0.00 -1.82 0.00 0.00 55.36 54.12 3cx5 s GLN 78 Cb -0.11 0.35 -0.05 0.00 -1.09 0.00 0.00 33.01 32.11 3cx5 s GLN 78 CO 0.80 -0.22 -0.21 -0.59 -1.32 0.00 0.00 175.29 173.75 3cx5 s PHE 79 N -1.17 2.32 0.30 9.60 -0.12 -0.94 -0.63 117.98 127.34 3cx5 s PHE 79 Ca -0.12 -0.34 0.08 0.00 -0.05 0.00 0.00 56.93 56.50 3cx5 s PHE 79 Cb -0.04 -1.09 -0.06 0.00 -0.63 0.00 0.00 43.02 41.21 3cx5 s PHE 79 CO 0.06 0.60 -0.08 -0.06 -0.05 0.00 0.00 175.22 175.68 3cx5 s PHE 80 N -2.04 2.12 -0.04 3.49 0.40 0.46 -1.14 117.98 121.23 3cx5 s PHE 80 Ca 0.25 -0.60 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 3cx5 s PHE 80 Cb -0.07 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.27 3cx5 s PHE 80 CO 0.12 0.41 -0.15 -1.17 0.70 0.00 0.00 175.22 175.14 3cx5 s LEU 81 N -3.50 1.85 -0.14 -0.37 2.96 0.14 -2.87 118.68 116.74 3cx5 s LEU 81 Ca 0.30 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 3cx5 s LEU 81 Cb 0.03 -0.86 0.05 0.00 0.50 0.00 0.00 46.19 45.91 3cx5 s LEU 81 CO 0.13 0.12 0.04 -0.75 -1.32 0.00 0.00 176.35 174.57 3cx5 s LYS 82 N 0.17 0.40 -0.30 1.98 2.20 -1.16 -1.47 119.74 121.56 3cx5 s LYS 82 Ca -0.05 -0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.42 3cx5 s LYS 82 Cb -0.12 -1.55 0.03 0.00 -1.51 0.00 0.00 37.83 34.68 3cx5 s LYS 82 CO 0.02 -0.52 0.03 -1.17 -0.36 0.00 0.00 175.35 173.34 3cx5 s LEU 83 N 2.00 3.82 0.58 5.43 2.96 -0.68 -0.98 118.68 131.82 3cx5 s LEU 83 Ca 0.02 -1.04 -0.14 0.00 -0.22 0.00 0.00 54.13 52.75 3cx5 s LEU 83 Cb -0.15 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 3cx5 s LEU 83 CO -0.07 -0.23 1.02 0.20 -1.32 0.00 0.00 176.35 175.95 3cx5 s ASN 84 N 1.35 6.23 -0.78 3.68 0.01 -1.07 -1.39 114.94 122.97 3cx5 s ASN 84 Ca -0.02 1.56 -0.06 0.00 -0.71 0.00 0.00 52.86 53.63 3cx5 s ASN 84 Cb -0.18 -2.50 0.01 0.00 0.41 0.00 0.00 41.25 38.99 3cx5 s ASN 84 CO -0.00 -0.86 0.53 -1.54 -1.51 0.00 0.00 177.10 173.71 3cx5 n SER 85 N -2.23 -4.01 -4.76 -1.22 3.41 -0.97 -4.90 113.62 98.93 3cx5 n SER 85 Ca 0.07 -0.91 -0.34 0.00 -0.26 0.00 0.00 58.87 57.43 3cx5 n SER 85 Cb 0.54 -1.37 0.05 0.00 -0.26 0.00 0.00 64.21 63.17 3cx5 n SER 85 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3cx5 s VAL 86 N -3.02 3.03 0.17 -3.33 -7.23 -0.60 -4.61 120.40 104.81 3cx5 s VAL 86 Ca 0.08 0.51 0.01 0.00 -1.81 0.00 0.00 61.98 60.78 3cx5 s VAL 86 Cb -0.05 -3.05 -0.05 0.00 0.56 0.00 0.00 36.38 33.80 3cx5 s VAL 86 CO 0.79 -0.27 0.01 -0.89 -0.31 0.00 0.00 175.10 174.43 3cx5 s THR 87 N -2.17 0.60 -0.42 5.32 2.01 -1.26 -0.70 115.64 119.02 3cx5 s THR 87 Ca 0.69 -1.97 0.15 0.00 0.31 0.00 0.00 61.69 60.87 3cx5 s THR 87 Cb -0.23 -2.10 0.15 0.00 0.01 0.00 0.00 72.50 70.33 3cx5 s THR 87 CO 0.40 -0.48 1.45 0.35 -0.69 0.00 0.00 174.62 175.65 3cx5 n THR 88 N -0.22 1.29 0.19 -0.82 -2.24 -1.26 -0.08 114.28 111.14 3cx5 n THR 88 Ca -0.06 0.67 0.03 0.00 -2.27 0.00 0.00 64.05 62.41 3cx5 n THR 88 Cb 0.63 -1.67 0.36 0.00 -2.10 0.00 0.00 70.33 67.56 3cx5 n THR 88 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3cx5 h GLU 89 N 0.00 0.00 -0.11 -0.78 4.57 -1.95 -2.65 114.58 113.66 3cx5 h GLU 89 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3cx5 h GLU 89 Cb 0.03 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3cx5 h GLU 89 CO 0.00 0.37 0.00 -0.25 -1.18 0.00 0.00 179.01 177.95 3cx5 n ASP 90 N -4.11 1.01 -4.67 1.04 10.43 0.89 -4.87 116.55 116.27 3cx5 n ASP 90 Ca -0.02 -1.64 -0.42 0.00 2.57 0.00 0.00 54.79 55.28 3cx5 n ASP 90 Cb 0.40 -0.07 -0.03 0.00 1.84 0.00 0.00 41.12 43.26 3cx5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3cx5 s THR 91 N -1.86 3.78 -0.07 -3.53 2.01 -1.00 -4.88 115.64 110.08 3cx5 s THR 91 Ca 0.29 1.05 -0.31 0.00 0.31 0.00 0.00 61.69 63.02 3cx5 s THR 91 Cb 0.15 -3.68 0.12 0.00 0.01 0.00 0.00 72.50 69.10 3cx5 s THR 91 CO 0.23 -0.05 1.37 0.00 -0.69 0.00 0.00 174.62 175.47 3cx5 s ALA 92 N 3.18 -2.58 -0.33 7.40 0.00 -1.04 -4.43 121.76 123.95 3cx5 s ALA 92 Ca 0.65 0.48 -0.14 0.00 0.00 0.00 0.00 51.96 52.95 3cx5 s ALA 92 Cb -0.30 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 3cx5 s ALA 92 CO 0.25 -1.12 0.31 0.95 0.00 0.00 0.00 175.76 176.15 3cx5 s THR 93 N -2.06 5.22 0.03 0.00 -4.23 -0.72 -0.99 115.64 112.88 3cx5 s THR 93 Ca 0.24 -0.01 -0.17 0.00 -1.18 0.00 0.00 61.69 60.57 3cx5 s THR 93 Cb 0.03 -3.76 -0.06 0.00 1.34 0.00 0.00 72.50 70.05 3cx5 s THR 93 CO -0.04 -0.03 0.48 -0.31 -0.54 0.00 0.00 174.62 174.18 3cx5 s TYR 94 N 1.91 3.75 0.03 3.99 1.51 0.01 -0.77 117.35 127.79 3cx5 s TYR 94 Ca 0.10 1.11 0.05 0.00 -1.01 0.00 0.00 57.07 57.32 3cx5 s TYR 94 Cb -0.17 -2.39 -0.02 0.00 -0.11 0.00 0.00 41.96 39.27 3cx5 s TYR 94 CO 0.11 0.60 -0.14 0.71 -1.11 0.00 0.00 175.55 175.72 3cx5 s TYR 95 N -1.02 1.26 0.06 2.71 2.02 0.10 -0.81 117.35 121.68 3cx5 s TYR 95 Ca 0.26 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.65 3cx5 s TYR 95 Cb -0.18 -0.75 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 3cx5 s TYR 95 CO 0.16 0.03 0.05 0.00 -1.57 0.00 0.00 175.55 174.22 3cx5 s ALA 97 N -1.30 -1.42 -0.06 0.00 0.00 -0.37 -0.43 121.76 118.18 3cx5 s ALA 97 Ca 0.26 1.23 -0.21 0.00 0.00 0.00 0.00 51.96 53.25 3cx5 s ALA 97 Cb -0.12 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 3cx5 s ALA 97 CO 0.18 -0.31 0.59 0.50 0.00 0.00 0.00 175.76 176.73 3cx5 s ARG 98 N -0.60 4.35 -0.27 0.00 3.52 -0.25 -0.05 118.95 125.65 3cx5 s ARG 98 Ca -0.07 0.68 -0.04 0.00 -0.13 0.00 0.00 55.73 56.17 3cx5 s ARG 98 Cb -0.03 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 3cx5 s ARG 98 CO 0.05 0.22 0.01 0.45 -0.81 0.00 0.00 175.30 175.22 3cx5 s SER 99 N 0.34 4.74 0.89 -2.12 0.15 0.25 -1.87 113.70 116.08 3cx5 s SER 99 Ca 0.31 -0.76 -0.12 0.00 0.70 0.00 0.00 55.95 56.08 3cx5 s SER 99 Cb -0.17 -1.78 0.12 0.00 -1.71 0.00 0.00 66.02 62.48 3cx5 s SER 99 CO 0.15 -0.15 1.13 -1.61 1.20 0.00 0.00 173.24 173.96 3cx5 s GLU 100 N 1.42 1.32 -0.24 5.44 2.02 0.45 -1.27 118.70 127.84 3cx5 s GLU 100 Ca 0.02 0.35 -0.08 0.00 0.02 0.00 0.00 54.97 55.28 3cx5 s GLU 100 Cb -0.17 -1.85 0.11 0.00 0.10 0.00 0.00 34.13 32.31 3cx5 s GLU 100 CO -0.01 -2.09 0.52 -0.47 0.02 0.00 0.00 175.26 173.23 3cx5 s TYR 101 N -3.26 -1.03 -0.00 1.61 6.14 -1.26 -2.59 117.35 116.96 3cx5 s TYR 101 Ca 0.63 1.86 0.06 0.00 0.64 0.00 0.00 57.07 60.27 3cx5 s TYR 101 Cb -0.15 0.52 -0.02 0.00 0.42 0.00 0.00 41.96 42.73 3cx5 s TYR 101 CO 0.53 -0.56 -0.19 0.71 0.64 0.00 0.00 175.55 176.69 3cx5 s TYR 102 N 2.73 1.66 0.54 4.97 2.02 -0.79 -4.99 117.35 123.49 3cx5 s TYR 102 Ca -0.04 -0.32 0.24 0.00 -0.37 0.00 0.00 57.07 56.58 3cx5 s TYR 102 Cb -0.12 -1.05 1.42 0.00 -0.40 0.00 0.00 41.96 41.81 3cx5 s TYR 102 CO -0.15 -0.01 2.04 0.66 -1.57 0.00 0.00 175.55 176.52 3cx5 h SER 103 N 5.53 0.00 0.03 2.29 4.64 -2.01 0.13 113.55 124.16 3cx5 h SER 103 Ca -0.38 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.63 3cx5 h SER 103 Cb 1.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 3cx5 h SER 103 CO 0.47 0.00 -1.67 0.52 -0.87 0.00 0.00 176.83 175.29 3cx5 n VAL 104 N -4.28 1.59 0.92 0.95 0.31 -1.26 -4.52 118.33 112.04 3cx5 n VAL 104 Ca 0.06 -0.24 0.13 0.00 -0.01 0.00 0.00 64.34 64.27 3cx5 n VAL 104 Cb 0.46 -1.92 0.34 0.00 -0.91 0.00 0.00 33.84 31.80 3cx5 n VAL 104 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3cx5 n THR 105 N -4.14 0.08 -4.12 2.52 -2.24 -1.19 -5.06 114.28 100.14 3cx5 n THR 105 Ca -0.36 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3cx5 n THR 105 Cb 0.81 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 3cx5 n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cx5 n GLY 106 N 1.47 0.31 3.92 3.38 0.00 0.46 -4.89 105.19 109.83 3cx5 n GLY 106 Ca 0.06 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 3cx5 n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cx5 s TYR 107 N 0.00 3.49 -0.30 1.61 1.51 -1.26 -1.88 117.35 120.52 3cx5 s TYR 107 Ca 0.00 0.49 -0.14 0.00 -1.01 0.00 0.00 57.07 56.41 3cx5 s TYR 107 Cb 0.00 -1.99 0.16 0.00 -0.11 0.00 0.00 41.96 40.02 3cx5 s TYR 107 CO 0.00 0.20 0.92 0.00 -1.11 0.00 0.00 175.55 175.57 3cx5 s ALA 108 N -2.10 -2.55 -0.80 3.71 0.00 -1.07 -4.95 121.76 114.01 3cx5 s ALA 108 Ca 0.42 2.12 -0.25 0.00 0.00 0.00 0.00 51.96 54.25 3cx5 s ALA 108 Cb -0.10 -1.97 0.05 0.00 0.00 0.00 0.00 23.12 21.09 3cx5 s ALA 108 CO 0.31 -0.90 1.25 -1.64 0.00 0.00 0.00 175.76 174.79 3cx5 s MET 109 N 2.43 3.29 0.00 0.00 -1.94 -1.26 -0.41 119.30 121.41 3cx5 s MET 109 Ca -0.04 -0.64 0.02 0.00 -1.71 0.00 0.00 55.69 53.33 3cx5 s MET 109 Cb -0.07 -4.49 -0.25 0.00 2.01 0.00 0.00 34.83 32.03 3cx5 s MET 109 CO -0.18 -2.08 0.84 0.38 -0.01 0.00 0.00 175.02 173.97 3cx5 h ASP 110 N 9.82 0.23 -3.30 3.03 2.03 -1.76 -3.46 116.42 123.01 3cx5 h ASP 110 Ca -0.15 -0.35 -0.67 0.00 -0.73 0.00 0.00 57.03 55.14 3cx5 h ASP 110 Cb 1.04 -0.07 -0.30 0.00 -0.83 0.00 0.00 39.33 39.17 3cx5 h ASP 110 CO 1.28 1.30 -0.81 -0.31 -1.03 0.00 0.00 179.24 179.67 3cx5 s TYR 111 N -2.62 2.75 0.02 4.15 1.51 -1.24 -5.01 117.35 116.90 3cx5 s TYR 111 Ca -0.07 -0.95 0.08 0.00 -1.01 0.00 0.00 57.07 55.11 3cx5 s TYR 111 Cb 0.08 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 3cx5 s TYR 111 CO 0.83 -0.40 -0.23 -1.58 -1.11 0.00 0.00 175.55 173.06 3cx5 s TRP 112 N 0.61 2.43 0.88 2.71 0.52 -1.26 -1.09 118.94 123.74 3cx5 s TRP 112 Ca -0.09 -0.35 -0.12 0.00 0.02 0.00 0.00 56.10 55.56 3cx5 s TRP 112 Cb -0.16 -1.46 0.12 0.00 -1.15 0.00 0.00 33.47 30.82 3cx5 s TRP 112 CO 0.03 0.13 1.10 0.20 0.02 0.00 0.00 176.95 178.43 3cx5 s GLY 113 N -1.10 1.60 0.54 0.98 0.00 0.42 -4.67 107.32 105.09 3cx5 s GLY 113 Ca 0.12 -0.25 0.34 0.00 0.00 0.00 0.00 44.72 44.93 3cx5 s GLY 113 CO 0.02 0.25 2.01 0.06 0.00 0.00 0.00 173.10 175.44 3cx5 h GLN 114 N -1.44 0.00 0.00 2.90 -0.00 -1.90 -3.44 115.11 111.23 3cx5 h GLN 114 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.15 3cx5 h GLN 114 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 3cx5 h GLN 114 CO 0.58 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.82 3cx5 n GLY 115 N -0.11 0.51 2.81 0.06 0.00 -1.26 -5.04 105.19 102.15 3cx5 n GLY 115 Ca 0.00 -1.53 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 3cx5 n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cx5 s THR 116 N -2.11 0.68 -0.29 2.61 -1.32 0.01 -4.96 115.64 110.27 3cx5 s THR 116 Ca 0.00 -0.28 -0.29 0.00 -1.21 0.00 0.00 61.69 59.91 3cx5 s THR 116 Cb 0.00 -0.91 -0.00 0.00 -1.51 0.00 0.00 72.50 70.08 3cx5 s THR 116 CO 0.00 0.13 1.34 -0.89 -2.21 0.00 0.00 174.62 172.99 3cx5 s THR 117 N 1.83 4.08 -0.12 5.08 2.01 -1.26 -0.81 115.64 126.44 3cx5 s THR 117 Ca 0.03 1.22 -0.02 0.00 0.31 0.00 0.00 61.69 63.22 3cx5 s THR 117 Cb -0.14 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 3cx5 s THR 117 CO -0.07 -0.46 -0.05 0.68 -0.69 0.00 0.00 174.62 174.03 3cx5 s VAL 118 N 4.51 3.80 -0.18 3.82 -7.23 -0.16 -4.44 120.40 120.52 3cx5 s VAL 118 Ca 0.58 -0.41 0.01 0.00 -1.81 0.00 0.00 61.98 60.35 3cx5 s VAL 118 Cb -0.18 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.17 3cx5 s VAL 118 CO 0.24 0.54 -0.18 -0.89 -0.31 0.00 0.00 175.10 174.50 3cx5 s THR 119 N -0.07 1.95 -0.71 5.32 2.01 -0.80 -2.51 115.64 120.82 3cx5 s THR 119 Ca 0.01 -0.90 -0.26 0.00 0.31 0.00 0.00 61.69 60.85 3cx5 s THR 119 Cb -0.13 -1.79 0.04 0.00 0.01 0.00 0.00 72.50 70.63 3cx5 s THR 119 CO 0.03 0.49 1.18 -0.69 -0.69 0.00 0.00 174.62 174.94 3cx5 s VAL 120 N 1.33 3.91 0.15 3.82 1.01 -1.26 -1.56 120.40 127.80 3cx5 s VAL 120 Ca 0.04 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.20 3cx5 s VAL 120 Cb -0.13 -4.85 -0.04 0.00 0.00 0.00 0.00 36.38 31.36 3cx5 s VAL 120 CO -0.12 -1.73 -0.01 -0.55 0.00 0.00 0.00 175.10 172.69 3cx5 s SER 121 N 3.72 1.07 0.00 3.32 0.15 0.43 -4.69 113.70 117.71 3cx5 s SER 121 Ca 0.31 -1.14 0.26 0.00 0.70 0.00 0.00 55.95 56.08 3cx5 s SER 121 Cb -0.11 0.14 0.66 0.00 -1.71 0.00 0.00 66.02 65.00 3cx5 s SER 121 CO 0.13 -0.56 1.51 -0.24 1.20 0.00 0.00 173.24 175.28 3cx5 n SER 122 N -0.17 1.27 -4.75 5.45 2.88 -1.26 -3.44 113.62 113.60 3cx5 n SER 122 Ca -0.08 -1.07 -0.36 0.00 -1.33 0.00 0.00 58.87 56.03 3cx5 n SER 122 Cb 0.63 0.17 0.05 0.00 -0.75 0.00 0.00 64.21 64.30 3cx5 n SER 122 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cx5 s ALA 123 N -2.43 2.46 -0.11 -1.46 0.00 -1.26 -5.02 121.76 113.94 3cx5 s ALA 123 Ca 0.25 1.03 -0.08 0.00 0.00 0.00 0.00 51.96 53.15 3cx5 s ALA 123 Cb 0.19 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3cx5 s ALA 123 CO 0.50 -1.33 0.18 -0.46 0.00 0.00 0.00 175.76 174.65 3cx5 s TRP 124 N -1.61 3.60 -0.02 0.00 -0.00 -1.26 -4.92 118.94 114.73 3cx5 s TRP 124 Ca 0.78 0.58 0.01 0.00 -0.00 0.00 0.00 56.10 57.47 3cx5 s TRP 124 Cb -0.31 -2.01 0.02 0.00 -0.00 0.00 0.00 33.47 31.16 3cx5 s TRP 124 CO 0.36 0.69 -0.02 0.50 -0.00 0.00 0.00 176.95 178.48 3cx5 s ARG 125 N -0.92 0.32 -0.17 5.86 3.52 -1.26 -5.10 118.95 121.20 3cx5 s ARG 125 Ca 0.16 -0.01 -0.28 0.00 -0.13 0.00 0.00 55.73 55.46 3cx5 s ARG 125 Cb -0.13 -0.41 -0.06 0.00 -1.56 0.00 0.00 34.95 32.79 3cx5 s ARG 125 CO 0.05 -0.05 2.16 -1.58 -0.81 0.00 0.00 175.30 175.07 3cx5 s HIS 126 N 0.57 1.19 -2.00 5.12 5.65 -1.26 -5.21 115.29 119.35 3cx5 s HIS 126 Ca -0.06 0.33 0.05 0.00 0.25 0.00 0.00 55.06 55.63 3cx5 s HIS 126 Cb -0.09 -4.00 0.27 0.00 -1.18 0.00 0.00 32.58 27.59 3cx5 s HIS 126 CO -0.01 -4.39 0.75 -0.35 -0.65 0.00 0.00 174.74 170.09