#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 n MET 1 N 0.00 -0.77 -4.01 5.56 0.00 -1.26 -5.02 117.12 111.62 3hx5 n MET 1 Ca 0.00 -0.19 -0.26 0.00 -0.00 0.00 0.00 57.70 57.25 3hx5 n MET 1 Cb 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 33.22 31.31 3hx5 n MET 1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hx5 s SER 2 N -2.04 5.98 0.64 6.12 1.04 -1.26 -5.10 113.70 119.08 3hx5 s SER 2 Ca 0.58 0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.87 3hx5 s SER 2 Cb -0.19 -1.70 -0.01 0.00 0.10 0.00 0.00 66.02 64.22 3hx5 s SER 2 CO 0.66 0.05 1.21 -0.55 0.98 0.00 0.00 173.24 175.60 3hx5 s SER 3 N -3.23 4.82 0.00 7.02 0.15 -1.26 -4.92 113.70 116.28 3hx5 s SER 3 Ca 0.33 2.39 0.13 0.00 0.70 0.00 0.00 55.95 59.50 3hx5 s SER 3 Cb -0.10 -2.60 0.56 0.00 -1.71 0.00 0.00 66.02 62.17 3hx5 s SER 3 CO 0.26 -1.84 1.42 0.00 1.20 0.00 0.00 173.24 174.28 3hx5 n GLN 4 N -2.01 0.00 -0.10 5.44 10.64 -1.26 -3.22 117.38 126.88 3hx5 n GLN 4 Ca 0.14 0.27 -0.12 0.00 -1.83 0.00 0.00 57.00 55.46 3hx5 n GLN 4 Cb 0.50 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.25 3hx5 n GLN 4 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3hx5 n ILE 5 N -1.50 1.24 -1.41 -0.39 -5.35 -1.26 -5.03 119.36 105.66 3hx5 n ILE 5 Ca 0.03 -0.63 -0.52 0.00 -0.27 0.00 0.00 62.75 61.36 3hx5 n ILE 5 Cb 0.15 -0.87 -0.05 0.00 -1.74 0.00 0.00 39.64 37.12 3hx5 n ILE 5 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3hx5 n ARG 6 N -2.88 0.00 -3.65 6.28 0.63 -1.20 -4.93 116.66 110.92 3hx5 n ARG 6 Ca -0.34 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.58 3hx5 n ARG 6 Cb 1.01 -1.23 -0.04 0.00 0.45 0.00 0.00 32.46 32.64 3hx5 n ARG 6 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3hx5 s GLN 7 N -0.46 0.56 -1.59 -0.14 0.74 -1.26 -4.93 119.66 112.58 3hx5 s GLN 7 Ca 0.76 1.42 0.00 0.00 0.05 0.00 0.00 55.36 57.59 3hx5 s GLN 7 Cb -1.08 0.84 0.00 0.00 1.10 0.00 0.00 33.01 33.87 3hx5 s GLN 7 CO 0.55 -0.21 0.00 -1.71 -0.55 0.00 0.00 175.29 173.37 3hx5 n ASN 8 N 5.45 -5.11 -4.40 6.67 5.15 -1.26 -4.97 115.26 116.79 3hx5 n ASN 8 Ca -0.12 0.37 -0.40 0.00 -0.60 0.00 0.00 54.58 53.83 3hx5 n ASN 8 Cb 0.49 -3.93 -0.11 0.00 -0.53 0.00 0.00 39.78 35.70 3hx5 n ASN 8 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3hx5 s TYR 9 N -2.46 3.23 0.36 1.20 5.04 -1.26 -4.83 117.35 118.64 3hx5 s TYR 9 Ca 0.00 -0.83 -0.18 0.00 -2.44 0.00 0.00 57.07 53.62 3hx5 s TYR 9 Cb 0.00 -2.45 -0.10 0.00 0.35 0.00 0.00 41.96 39.77 3hx5 s TYR 9 CO 0.00 -0.60 0.83 -1.54 -1.34 0.00 0.00 175.55 172.90 3hx5 s SER 10 N 1.58 6.89 0.58 4.32 1.04 -1.26 -4.96 113.70 121.89 3hx5 s SER 10 Ca 0.03 1.48 0.35 0.00 0.48 0.00 0.00 55.95 58.30 3hx5 s SER 10 Cb -0.19 -2.45 1.79 0.00 0.10 0.00 0.00 66.02 65.27 3hx5 s SER 10 CO 0.07 -0.25 2.16 0.71 0.98 0.00 0.00 173.24 176.91 3hx5 h THR 11 N 2.02 0.21 -0.23 2.02 1.35 -1.98 -1.26 112.91 115.02 3hx5 h THR 11 Ca -0.48 -0.32 -0.09 0.00 -0.55 0.00 0.00 66.41 64.97 3hx5 h THR 11 Cb 1.18 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 3hx5 h THR 11 CO 0.64 0.04 -0.19 0.44 -0.25 0.00 0.00 175.52 176.19 3hx5 h ASP 12 N 0.00 0.58 0.07 5.36 3.45 -1.99 -2.10 116.42 121.78 3hx5 h ASP 12 Ca -0.00 -0.46 -0.00 0.00 0.43 0.00 0.00 57.03 57.00 3hx5 h ASP 12 Cb 0.26 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 3hx5 h ASP 12 CO 0.01 0.91 -0.03 0.58 -1.57 0.00 0.00 179.24 179.13 3hx5 h VAL 13 N 0.25 1.15 -0.58 -1.35 2.07 -1.76 -2.23 116.25 113.79 3hx5 h VAL 13 Ca 0.04 -0.80 0.12 0.00 0.82 0.00 0.00 66.70 66.88 3hx5 h VAL 13 Cb 0.73 1.67 -0.11 0.00 -1.52 0.00 0.00 31.29 32.06 3hx5 h VAL 13 CO 0.05 0.20 -0.15 -0.08 0.02 0.00 0.00 177.57 177.61 3hx5 h GLU 14 N -0.46 -0.00 -0.28 1.57 4.81 -1.29 0.30 114.58 119.23 3hx5 h GLU 14 Ca -0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3hx5 h GLU 14 Cb 0.40 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3hx5 h GLU 14 CO 0.02 -0.00 -0.04 0.00 -0.73 0.00 0.00 179.01 178.25 3hx5 h ALA 15 N 1.57 1.42 -0.43 2.92 0.00 -1.37 -2.62 119.26 120.75 3hx5 h ALA 15 Ca 0.28 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3hx5 h ALA 15 Cb 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3hx5 h ALA 15 CO -0.60 0.41 -0.24 0.00 0.00 0.00 0.00 179.25 178.81 3hx5 h ALA 16 N 1.55 0.61 0.04 0.00 0.00 0.10 -2.14 119.26 119.43 3hx5 h ALA 16 Ca 0.09 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hx5 h ALA 16 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hx5 h ALA 16 CO 0.01 0.61 -0.02 0.28 0.00 0.00 0.00 179.25 180.14 3hx5 h VAL 17 N 0.76 0.96 -0.11 0.00 2.07 -0.47 0.34 116.25 119.80 3hx5 h VAL 17 Ca 0.09 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3hx5 h VAL 17 Cb 0.82 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3hx5 h VAL 17 CO 0.07 0.00 0.03 0.78 0.02 0.00 0.00 177.57 178.48 3hx5 h ASN 18 N -0.06 0.13 -0.19 0.57 2.35 -1.48 0.30 115.58 117.21 3hx5 h ASN 18 Ca -0.01 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 3hx5 h ASN 18 Cb 0.05 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 3hx5 h ASN 18 CO 0.01 0.13 -0.11 -1.28 -1.65 0.00 0.00 177.43 174.53 3hx5 h SER 19 N 0.15 0.43 -0.46 5.81 0.87 -0.61 -2.84 113.55 116.90 3hx5 h SER 19 Ca 0.04 -0.43 -0.06 0.00 -1.23 0.00 0.00 61.79 60.11 3hx5 h SER 19 Cb 0.05 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3hx5 h SER 19 CO -0.00 0.76 0.07 0.25 -0.53 0.00 0.00 176.83 177.38 3hx5 h LEU 20 N 0.09 0.74 -0.95 2.23 5.85 0.92 -2.43 115.31 121.76 3hx5 h LEU 20 Ca 0.04 -0.26 0.12 0.00 0.84 0.00 0.00 57.88 58.62 3hx5 h LEU 20 Cb 0.61 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 3hx5 h LEU 20 CO 0.03 0.81 0.58 0.58 -0.34 0.00 0.00 178.44 180.10 3hx5 h VAL 21 N 0.63 0.88 -0.37 1.05 2.07 -0.45 0.17 116.25 120.24 3hx5 h VAL 21 Ca 0.14 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.22 3hx5 h VAL 21 Cb 0.39 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3hx5 h VAL 21 CO 0.01 0.16 -0.30 -1.13 0.02 0.00 0.00 177.57 176.33 3hx5 h ASN 22 N 0.90 0.83 -0.83 0.57 -0.73 -1.26 -0.99 115.58 114.07 3hx5 h ASN 22 Ca 0.48 -0.34 -0.01 0.00 1.87 0.00 0.00 56.30 58.30 3hx5 h ASN 22 Cb 0.51 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 38.83 3hx5 h ASN 22 CO -0.28 1.07 0.49 0.25 -0.37 0.00 0.00 177.43 178.59 3hx5 h LEU 23 N 0.68 1.00 -0.36 0.34 5.85 -0.55 -0.85 115.31 121.42 3hx5 h LEU 23 Ca 0.08 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 3hx5 h LEU 23 Cb 0.84 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3hx5 h LEU 23 CO 0.07 0.78 -0.33 1.88 -0.34 0.00 0.00 178.44 180.51 3hx5 h TYR 24 N 1.14 1.03 -0.87 1.25 -1.99 -0.91 -1.64 116.97 114.97 3hx5 h TYR 24 Ca 0.30 -0.30 0.07 0.00 2.00 0.00 0.00 58.73 60.80 3hx5 h TYR 24 Cb -0.03 -0.22 -0.07 0.00 2.00 0.00 0.00 36.73 38.42 3hx5 h TYR 24 CO -0.00 1.10 0.54 -0.07 -0.00 0.00 0.00 178.16 179.73 3hx5 h LEU 25 N 0.67 0.83 -0.44 3.88 3.38 -0.71 0.32 115.31 123.25 3hx5 h LEU 25 Ca 0.06 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 3hx5 h LEU 25 Cb 0.91 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3hx5 h LEU 25 CO 0.08 0.52 -0.35 -0.61 0.09 0.00 0.00 178.44 178.17 3hx5 h GLN 26 N 0.96 0.93 -0.15 1.13 4.15 -1.02 -1.44 115.11 119.67 3hx5 h GLN 26 Ca 0.39 -0.46 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 3hx5 h GLN 26 Cb 0.23 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3hx5 h GLN 26 CO -0.19 1.12 0.08 0.00 -1.93 0.00 0.00 178.83 177.91 3hx5 h ALA 27 N 0.83 0.19 -0.25 3.38 0.00 -0.35 0.57 119.26 123.63 3hx5 h ALA 27 Ca 0.07 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3hx5 h ALA 27 Cb 0.93 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3hx5 h ALA 27 CO 0.09 -0.26 -0.17 1.03 0.00 0.00 0.00 179.25 179.95 3hx5 h SER 28 N 0.13 -0.54 -0.92 0.00 0.87 -0.28 -0.39 113.55 112.41 3hx5 h SER 28 Ca 0.05 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3hx5 h SER 28 Cb 0.10 0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 3hx5 h SER 28 CO -0.01 -0.21 0.56 0.22 -0.53 0.00 0.00 176.83 176.87 3hx5 h TYR 29 N -0.15 1.22 -0.42 2.24 3.20 -1.02 -0.27 116.97 121.77 3hx5 h TYR 29 Ca 0.14 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3hx5 h TYR 29 Cb 0.36 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3hx5 h TYR 29 CO -0.34 0.80 0.17 1.15 -1.64 0.00 0.00 178.16 178.31 3hx5 h THR 30 N 1.27 1.20 -0.44 1.81 2.02 -0.03 -2.27 112.91 116.47 3hx5 h THR 30 Ca 0.33 -0.60 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 3hx5 h THR 30 Cb -0.06 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3hx5 h THR 30 CO -0.06 0.22 -0.06 1.88 0.37 0.00 0.00 175.52 177.87 3hx5 h TYR 31 N 0.53 0.80 -0.84 3.16 0.05 -0.62 -1.69 116.97 118.36 3hx5 h TYR 31 Ca 0.14 -0.13 0.05 0.00 0.05 0.00 0.00 58.73 58.84 3hx5 h TYR 31 Cb 0.18 -0.21 -0.06 0.00 1.01 0.00 0.00 36.73 37.65 3hx5 h TYR 31 CO -0.00 0.78 0.53 1.25 -1.05 0.00 0.00 178.16 179.66 3hx5 h LEU 32 N 0.69 0.84 -0.21 3.88 5.85 -0.70 0.19 115.31 125.85 3hx5 h LEU 32 Ca 0.13 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3hx5 h LEU 32 Cb 0.51 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3hx5 h LEU 32 CO 0.03 0.56 0.01 -1.28 -0.34 0.00 0.00 178.44 177.42 3hx5 h SER 33 N 0.99 0.35 -0.73 1.25 0.87 -0.87 -2.60 113.55 112.81 3hx5 h SER 33 Ca 0.35 -0.29 0.03 0.00 -1.23 0.00 0.00 61.79 60.65 3hx5 h SER 33 Cb 0.10 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 3hx5 h SER 33 CO -0.15 0.55 0.46 -0.07 -0.53 0.00 0.00 176.83 177.09 3hx5 h LEU 34 N 0.13 0.74 0.16 2.23 3.38 -0.78 -1.42 115.31 119.76 3hx5 h LEU 34 Ca 0.06 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3hx5 h LEU 34 Cb 0.37 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3hx5 h LEU 34 CO 0.01 0.51 -0.37 1.23 0.09 0.00 0.00 178.44 179.91 3hx5 h GLY 35 N 0.88 -0.76 2.00 0.83 0.00 -0.42 -2.38 103.07 103.23 3hx5 h GLY 35 Ca 0.30 0.44 0.00 0.00 0.00 0.00 0.00 47.33 48.07 3hx5 h GLY 35 CO -0.12 -0.27 0.00 0.74 0.00 0.00 0.00 176.54 176.89 3hx5 h PHE 36 N -0.63 0.00 -0.49 5.60 -1.00 -1.30 -2.84 116.94 116.28 3hx5 h PHE 36 Ca 0.02 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.73 3hx5 h PHE 36 Cb 0.64 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.18 3hx5 h PHE 36 CO -0.31 0.00 0.04 -0.92 -1.61 0.00 0.00 178.31 175.51 3hx5 h TYR 37 N 0.00 0.90 0.00 -0.55 3.20 -0.74 -2.42 116.97 117.36 3hx5 h TYR 37 Ca 0.00 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3hx5 h TYR 37 Cb 0.55 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3hx5 h TYR 37 CO 0.00 0.84 0.00 1.19 -1.64 0.00 0.00 178.16 178.55 3hx5 n PHE 38 N -4.38 0.00 0.66 -3.82 3.72 -1.06 -2.56 117.46 110.02 3hx5 n PHE 38 Ca 0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.53 3hx5 n PHE 38 Cb 0.28 -0.47 0.24 0.00 -0.94 0.00 0.00 39.48 38.59 3hx5 n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hx5 n ASP 39 N -1.47 0.65 -4.75 4.37 4.64 -0.92 -2.28 116.55 116.78 3hx5 n ASP 39 Ca 0.06 0.15 -0.38 0.00 -1.38 0.00 0.00 54.79 53.24 3hx5 n ASP 39 Cb 0.26 0.02 0.03 0.00 -1.04 0.00 0.00 41.12 40.40 3hx5 n ASP 39 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3hx5 s ARG 40 N -3.13 3.29 0.42 -0.67 0.52 -1.06 -4.70 118.95 113.63 3hx5 s ARG 40 Ca 0.08 2.20 0.29 0.00 -0.52 0.00 0.00 55.73 57.78 3hx5 s ARG 40 Cb 0.14 -2.33 1.44 0.00 0.52 0.00 0.00 34.95 34.72 3hx5 s ARG 40 CO 0.69 -1.06 1.89 0.38 0.02 0.00 0.00 175.30 177.22 3hx5 h ASP 41 N 1.65 0.00 0.24 0.23 2.03 -1.91 0.29 116.42 118.95 3hx5 h ASP 41 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 3hx5 h ASP 41 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 3hx5 h ASP 41 CO 0.58 0.00 -0.43 -0.90 -1.03 0.00 0.00 179.24 177.46 3hx5 n ASP 42 N -2.57 1.04 -0.00 4.15 3.85 -1.26 -4.47 116.55 117.29 3hx5 n ASP 42 Ca -0.01 -0.83 -0.04 0.00 -0.71 0.00 0.00 54.79 53.20 3hx5 n ASP 42 Cb 0.14 0.30 -0.01 0.00 -1.35 0.00 0.00 41.12 40.20 3hx5 n ASP 42 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3hx5 n VAL 43 N -0.86 1.14 -3.50 2.12 0.31 -0.74 -5.09 118.33 111.72 3hx5 n VAL 43 Ca 0.09 0.23 -0.28 0.00 -0.01 0.00 0.00 64.34 64.37 3hx5 n VAL 43 Cb 0.36 -1.78 0.02 0.00 -0.91 0.00 0.00 33.84 31.53 3hx5 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hx5 n ALA 44 N -3.71 -2.56 -3.44 3.52 0.00 0.94 -4.99 120.51 110.28 3hx5 n ALA 44 Ca -0.07 0.20 -0.27 0.00 0.00 0.00 0.00 53.44 53.30 3hx5 n ALA 44 Cb 0.26 -1.85 -0.10 0.00 0.00 0.00 0.00 19.45 17.76 3hx5 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hx5 s LEU 45 N -3.42 1.62 0.38 0.00 1.43 -0.97 -4.99 118.68 112.74 3hx5 s LEU 45 Ca 0.22 -3.04 0.16 0.00 -1.03 0.00 0.00 54.13 50.43 3hx5 s LEU 45 Cb -0.03 -0.52 1.04 0.00 0.03 0.00 0.00 46.19 46.70 3hx5 s LEU 45 CO 0.86 -0.18 1.77 -0.08 0.23 0.00 0.00 176.35 178.95 3hx5 h GLU 46 N 5.75 0.44 -0.06 1.70 4.81 -1.94 -1.08 114.58 124.20 3hx5 h GLU 46 Ca 0.24 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3hx5 h GLU 46 Cb 0.90 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 3hx5 h GLU 46 CO 0.39 0.29 0.00 0.78 -0.73 0.00 0.00 179.01 179.75 3hx5 h GLY 47 N 0.46 0.12 0.85 1.92 0.00 -1.95 -0.97 103.07 103.50 3hx5 h GLY 47 Ca 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.83 3hx5 h GLY 47 CO -0.33 0.08 0.04 -2.08 0.00 0.00 0.00 176.54 174.25 3hx5 h VAL 48 N -0.16 1.18 -0.47 4.60 2.07 -1.80 -1.59 116.25 120.08 3hx5 h VAL 48 Ca 0.02 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.06 3hx5 h VAL 48 Cb 0.31 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 3hx5 h VAL 48 CO 0.00 0.17 0.13 -1.28 0.02 0.00 0.00 177.57 176.61 3hx5 h SER 49 N 0.05 0.08 -0.21 0.57 0.87 -1.22 -0.83 113.55 112.85 3hx5 h SER 49 Ca 0.05 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3hx5 h SER 49 Cb 0.22 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3hx5 h SER 49 CO -0.00 0.07 0.02 -0.74 -0.53 0.00 0.00 176.83 175.65 3hx5 h HIS 50 N 0.28 0.49 0.68 2.24 6.17 -1.04 -1.18 115.15 122.79 3hx5 h HIS 50 Ca 0.23 -0.04 -0.03 0.00 0.71 0.00 0.00 60.37 61.24 3hx5 h HIS 50 Cb 0.27 -0.15 0.01 0.00 2.52 0.00 0.00 27.41 30.06 3hx5 h HIS 50 CO -0.19 0.48 -0.33 0.35 0.71 0.00 0.00 177.93 178.95 3hx5 h PHE 51 N 0.47 -0.85 -0.73 5.26 3.57 -0.14 -2.37 116.94 122.15 3hx5 h PHE 51 Ca 0.10 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3hx5 h PHE 51 Cb 0.28 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 3hx5 h PHE 51 CO 0.01 -0.52 0.33 0.74 -2.23 0.00 0.00 178.31 176.64 3hx5 h PHE 52 N -0.94 1.06 -0.12 0.41 0.05 -1.27 -1.98 116.94 114.14 3hx5 h PHE 52 Ca -0.09 -0.05 0.03 0.00 3.82 0.00 0.00 57.97 61.67 3hx5 h PHE 52 Cb 0.71 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 38.33 3hx5 h PHE 52 CO -0.02 0.78 0.09 0.00 -0.18 0.00 0.00 178.31 178.98 3hx5 h ARG 53 N 1.05 0.02 0.09 1.51 3.08 -1.10 0.11 114.38 119.13 3hx5 h ARG 53 Ca 0.25 -0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.04 3hx5 h ARG 53 Cb 0.14 -0.01 0.03 0.00 0.08 0.00 0.00 29.97 30.21 3hx5 h ARG 53 CO -0.03 0.02 -1.06 0.93 -1.07 0.00 0.00 179.97 178.76 3hx5 h GLU 54 N 0.02 0.56 -0.33 0.04 5.08 -0.83 -3.09 114.58 116.03 3hx5 h GLU 54 Ca 0.06 -0.72 -0.00 0.00 -1.00 0.00 0.00 59.36 57.69 3hx5 h GLU 54 Cb 0.20 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3hx5 h GLU 54 CO -0.00 1.31 0.18 -0.07 -1.00 0.00 0.00 179.01 179.43 3hx5 h LEU 55 N 0.14 0.39 -0.54 1.33 3.38 -0.70 0.18 115.31 119.49 3hx5 h LEU 55 Ca -0.16 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3hx5 h LEU 55 Cb 1.76 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.37 3hx5 h LEU 55 CO 0.20 0.32 0.33 0.00 0.09 0.00 0.00 178.44 179.38 3hx5 h ALA 56 N 1.75 0.69 0.00 1.53 0.00 -0.80 -0.41 119.26 122.02 3hx5 h ALA 56 Ca 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3hx5 h ALA 56 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3hx5 h ALA 56 CO -0.02 0.05 -0.20 1.49 0.00 0.00 0.00 179.25 180.56 3hx5 h GLU 57 N 0.65 0.00 -0.31 0.00 4.57 -1.14 -2.64 114.58 115.72 3hx5 h GLU 57 Ca 0.21 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.23 3hx5 h GLU 57 Cb 0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3hx5 h GLU 57 CO -0.09 0.20 -0.45 0.93 -1.18 0.00 0.00 179.01 178.42 3hx5 h GLU 58 N 0.00 0.85 -0.21 1.92 5.08 -0.09 -2.00 114.58 120.12 3hx5 h GLU 58 Ca -0.00 -0.50 -0.12 0.00 -1.00 0.00 0.00 59.36 57.74 3hx5 h GLU 58 Cb 1.03 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3hx5 h GLU 58 CO 0.03 1.14 -0.36 0.87 -1.00 0.00 0.00 179.01 179.68 3hx5 h LYS 59 N 0.63 0.47 -0.63 2.33 1.79 -1.05 -1.74 116.57 118.37 3hx5 h LYS 59 Ca 0.03 -0.22 -0.03 0.00 -2.18 0.00 0.00 60.65 58.26 3hx5 h LYS 59 Cb 1.05 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.67 3hx5 h LYS 59 CO 0.10 0.77 0.29 -0.09 -1.08 0.00 0.00 179.45 179.44 3hx5 h ARG 60 N 0.40 0.91 0.00 3.15 2.43 -1.32 0.13 114.38 120.08 3hx5 h ARG 60 Ca 0.04 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 3hx5 h ARG 60 Cb 0.82 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3hx5 h ARG 60 CO 0.07 0.74 -0.30 0.93 -1.51 0.00 0.00 179.97 179.90 3hx5 h GLU 61 N 0.86 0.00 0.65 0.20 5.08 -1.12 -2.29 114.58 117.97 3hx5 h GLU 61 Ca 0.21 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3hx5 h GLU 61 Cb 0.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 3hx5 h GLU 61 CO -0.02 0.30 -0.31 0.78 -1.00 0.00 0.00 179.01 178.75 3hx5 h GLY 62 N 1.06 -0.91 1.86 -3.84 0.00 -0.09 -1.72 103.07 99.43 3hx5 h GLY 62 Ca -0.00 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 3hx5 h GLY 62 CO 0.04 -0.33 -0.05 0.10 0.00 0.00 0.00 176.54 176.30 3hx5 h TYR 63 N -0.95 0.18 -0.27 5.60 -0.00 -1.27 -1.54 116.97 118.73 3hx5 h TYR 63 Ca -0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 58.73 58.52 3hx5 h TYR 63 Cb 0.67 -0.06 -0.01 0.00 0.00 0.00 0.00 36.73 37.33 3hx5 h TYR 63 CO 0.06 0.24 -0.29 0.93 -0.00 0.00 0.00 178.16 179.10 3hx5 h GLU 64 N 0.18 0.54 -0.03 0.10 5.08 -1.41 0.29 114.58 119.33 3hx5 h GLU 64 Ca 0.04 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 3hx5 h GLU 64 Cb 0.21 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3hx5 h GLU 64 CO 0.01 0.78 -0.66 -0.09 -1.00 0.00 0.00 179.01 178.05 3hx5 h ARG 65 N 0.47 0.11 -0.01 2.33 2.43 -0.58 -0.92 114.38 118.21 3hx5 h ARG 65 Ca 0.06 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hx5 h ARG 65 Cb 0.75 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3hx5 h ARG 65 CO 0.06 0.73 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.17 3hx5 h LEU 66 N 0.08 0.03 -0.99 3.80 3.38 -0.66 -1.38 115.31 119.58 3hx5 h LEU 66 Ca -0.01 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.58 3hx5 h LEU 66 Cb 1.17 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 3hx5 h LEU 66 CO 0.09 0.43 0.65 -0.07 0.09 0.00 0.00 178.44 179.63 3hx5 h LEU 67 N -0.37 1.09 -0.86 1.67 3.38 -0.35 0.26 115.31 120.14 3hx5 h LEU 67 Ca 0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3hx5 h LEU 67 Cb 0.42 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hx5 h LEU 67 CO 0.00 0.76 -0.13 0.50 0.09 0.00 0.00 178.44 179.66 3hx5 h LYS 68 N 1.28 0.70 -0.26 1.13 1.63 -1.12 -2.04 116.57 117.89 3hx5 h LYS 68 Ca 0.38 -0.23 -0.16 0.00 -0.85 0.00 0.00 60.65 59.79 3hx5 h LYS 68 Cb -0.05 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 3hx5 h LYS 68 CO -0.11 0.81 -0.49 1.98 -3.45 0.00 0.00 179.45 178.19 3hx5 h MET 69 N 0.63 0.70 0.76 1.90 4.05 -0.12 -2.70 114.93 120.16 3hx5 h MET 69 Ca 0.11 -0.41 -0.03 0.00 -0.28 0.00 0.00 59.70 59.08 3hx5 h MET 69 Cb 0.59 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.42 3hx5 h MET 69 CO 0.04 1.03 -0.46 0.37 0.23 0.00 0.00 176.91 178.12 3hx5 h GLN 70 N 0.55 -1.09 -0.21 0.39 5.75 -0.12 -2.64 115.11 117.74 3hx5 h GLN 70 Ca 0.03 0.07 0.06 0.00 -0.15 0.00 0.00 58.65 58.66 3hx5 h GLN 70 Cb 1.05 0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.84 3hx5 h GLN 70 CO 0.10 -0.73 0.24 -0.91 -2.65 0.00 0.00 178.83 174.88 3hx5 h ASN 71 N -1.13 0.00 1.08 -0.69 4.21 -1.42 -1.06 115.58 116.57 3hx5 h ASN 71 Ca -0.10 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.26 3hx5 h ASN 71 Cb 0.90 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.08 3hx5 h ASN 71 CO 0.11 0.00 -0.69 1.56 -1.29 0.00 0.00 177.43 177.12 3hx5 h GLN 72 N 0.00 0.00 0.00 0.81 4.20 -1.14 -3.23 115.11 115.75 3hx5 h GLN 72 Ca 0.10 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 3hx5 h GLN 72 Cb 0.57 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3hx5 h GLN 72 CO -0.00 0.69 -0.72 0.00 -0.67 0.00 0.00 178.83 178.13 3hx5 h ARG 73 N 0.00 0.00 0.00 1.46 2.47 -0.88 -3.47 114.38 113.95 3hx5 h ARG 73 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3hx5 h ARG 73 Cb 1.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 3hx5 h ARG 73 CO 0.09 0.45 0.00 0.41 0.56 0.00 0.00 179.97 181.48 3hx5 n GLY 74 N 1.26 1.06 3.66 0.04 0.00 -1.10 -3.22 105.19 106.91 3hx5 n GLY 74 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3hx5 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hx5 s GLY 75 N -0.83 1.58 -0.09 -0.02 0.00 -1.07 -4.37 107.32 102.52 3hx5 s GLY 75 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 44.72 44.54 3hx5 s GLY 75 CO 0.00 0.38 -0.17 0.50 0.00 0.00 0.00 173.10 173.81 3hx5 s ARG 76 N -4.87 2.25 0.36 2.90 1.81 -1.26 -4.26 118.95 115.87 3hx5 s ARG 76 Ca 0.65 -0.60 -0.27 0.00 -1.72 0.00 0.00 55.73 53.79 3hx5 s ARG 76 Cb -0.19 -1.81 -0.09 0.00 -0.45 0.00 0.00 34.95 32.40 3hx5 s ARG 76 CO 0.58 0.05 1.23 0.00 -0.68 0.00 0.00 175.30 176.49 3hx5 s ALA 77 N 0.65 3.34 -0.14 2.13 0.00 -1.26 -5.00 121.76 121.48 3hx5 s ALA 77 Ca -0.14 1.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.90 3hx5 s ALA 77 Cb -0.16 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.58 3hx5 s ALA 77 CO 0.04 -0.56 0.06 -0.51 0.00 0.00 0.00 175.76 174.79 3hx5 s LEU 78 N -2.05 0.51 0.04 0.00 1.43 -1.26 -5.15 118.68 112.21 3hx5 s LEU 78 Ca 0.52 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 3hx5 s LEU 78 Cb -0.36 -0.32 -0.05 0.00 0.03 0.00 0.00 46.19 45.50 3hx5 s LEU 78 CO 0.46 -0.31 0.27 -0.36 0.23 0.00 0.00 176.35 176.65 3hx5 s PHE 79 N 2.07 3.54 0.42 0.29 0.08 -1.26 -4.85 117.98 118.26 3hx5 s PHE 79 Ca 0.02 0.49 0.05 0.00 0.12 0.00 0.00 56.93 57.61 3hx5 s PHE 79 Cb -0.15 -1.94 -0.06 0.00 -0.57 0.00 0.00 43.02 40.31 3hx5 s PHE 79 CO -0.07 0.58 0.03 -0.65 -0.10 0.00 0.00 175.22 175.00 3hx5 s GLN 80 N -2.09 1.95 0.48 0.44 -1.52 -1.26 -5.11 119.66 112.55 3hx5 s GLN 80 Ca 0.32 -2.15 -0.24 0.00 -1.95 0.00 0.00 55.36 51.34 3hx5 s GLN 80 Cb -0.13 -1.37 -0.07 0.00 -0.22 0.00 0.00 33.01 31.21 3hx5 s GLN 80 CO 0.20 -0.19 1.37 -0.25 -0.25 0.00 0.00 175.29 176.18 3hx5 n ASP 81 N -1.01 2.94 -4.52 5.90 10.43 -1.26 -4.96 116.55 124.08 3hx5 n ASP 81 Ca -0.08 1.07 -0.41 0.00 2.57 0.00 0.00 54.79 57.93 3hx5 n ASP 81 Cb 0.67 -1.57 -0.09 0.00 1.84 0.00 0.00 41.12 41.96 3hx5 n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hx5 s ILE 82 N -1.23 5.18 0.32 0.53 1.01 -1.26 -5.05 121.20 120.71 3hx5 s ILE 82 Ca 0.65 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.83 3hx5 s ILE 82 Cb -0.45 -3.87 -0.10 0.00 0.01 0.00 0.00 42.46 38.05 3hx5 s ILE 82 CO 0.55 -0.18 1.38 -0.54 0.00 0.00 0.00 174.94 176.15 3hx5 s LYS 83 N 1.95 4.28 0.73 2.79 1.02 -1.26 -5.00 119.74 124.25 3hx5 s LYS 83 Ca 0.10 2.32 -0.12 0.00 0.02 0.00 0.00 55.97 58.29 3hx5 s LYS 83 Cb -0.17 -3.06 0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3hx5 s LYS 83 CO 0.12 -0.32 1.09 -1.59 -0.92 0.00 0.00 175.35 173.73 3hx5 s LYS 84 N -1.54 2.48 0.44 1.68 -2.85 -1.26 -4.87 119.74 113.82 3hx5 s LYS 84 Ca 0.52 1.21 -0.23 0.00 -1.00 0.00 0.00 55.97 56.47 3hx5 s LYS 84 Cb -0.42 -1.92 -0.11 0.00 -2.06 0.00 0.00 37.83 33.33 3hx5 s LYS 84 CO 0.53 -1.48 0.87 -2.30 0.10 0.00 0.00 175.35 173.07 3hx5 n PRO 85 N -3.17 1.07 0.18 1.78 -0.02 -1.26 -4.89 135.00 128.69 3hx5 n PRO 85 Ca 0.09 0.39 0.15 0.00 -2.02 0.00 0.00 63.50 62.11 3hx5 n PRO 85 Cb 0.53 -1.89 0.74 0.00 -0.02 0.00 0.00 33.50 32.85 3hx5 n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx5 h ALA 86 N 1.21 2.04 -2.25 3.55 0.00 -1.96 -3.43 119.26 118.42 3hx5 h ALA 86 Ca -0.44 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.16 3hx5 h ALA 86 Cb 1.36 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 19.02 3hx5 h ALA 86 CO 0.55 -0.27 -0.67 -1.21 0.00 0.00 0.00 179.25 177.64 3hx5 s GLU 87 N -4.88 1.13 -0.12 0.00 0.41 -1.26 -5.04 118.70 108.94 3hx5 s GLU 87 Ca -0.05 -1.54 0.13 0.00 -0.41 0.00 0.00 54.97 53.10 3hx5 s GLU 87 Cb 0.17 -0.40 -0.18 0.00 -1.78 0.00 0.00 34.13 31.94 3hx5 s GLU 87 CO 0.64 -0.08 0.10 -0.25 -0.49 0.00 0.00 175.26 175.17 3hx5 n ASP 88 N -0.26 1.58 -4.18 -0.19 8.00 -1.26 -4.94 116.55 115.29 3hx5 n ASP 88 Ca -0.07 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.18 3hx5 n ASP 88 Cb 0.63 0.98 -0.15 0.00 -0.02 0.00 0.00 41.12 42.56 3hx5 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hx5 s GLU 89 N -2.45 1.43 -0.06 -1.24 2.02 -1.26 -4.99 118.70 112.15 3hx5 s GLU 89 Ca -0.07 -0.68 0.12 0.00 0.02 0.00 0.00 54.97 54.36 3hx5 s GLU 89 Cb 0.05 -1.41 0.36 0.00 0.10 0.00 0.00 34.13 33.23 3hx5 s GLU 89 CO 0.58 0.38 1.29 0.91 0.02 0.00 0.00 175.26 178.44 3hx5 n TRP 90 N 2.52 0.57 -3.85 1.61 7.02 -1.26 -5.09 117.44 118.96 3hx5 n TRP 90 Ca -0.15 -0.64 0.00 0.00 -1.02 0.00 0.00 57.50 55.69 3hx5 n TRP 90 Cb 0.54 -0.13 0.00 0.00 -2.42 0.00 0.00 31.31 29.30 3hx5 n TRP 90 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hx5 n GLY 91 N 0.04 2.43 3.96 6.99 0.00 -1.26 -3.92 105.19 113.43 3hx5 n GLY 91 Ca 0.14 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 3hx5 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx5 s LYS 92 N 0.00 2.64 0.24 1.61 1.02 -1.26 -4.91 119.74 119.08 3hx5 s LYS 92 Ca 0.00 -0.64 -0.07 0.00 0.02 0.00 0.00 55.97 55.28 3hx5 s LYS 92 Cb 0.00 -2.47 0.42 0.00 -0.52 0.00 0.00 37.83 35.26 3hx5 s LYS 92 CO 0.00 -0.66 1.68 1.15 -0.92 0.00 0.00 175.35 176.60 3hx5 h THR 93 N 0.08 0.50 -0.43 2.17 2.02 -2.00 -1.59 112.91 113.65 3hx5 h THR 93 Ca -0.43 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 66.68 3hx5 h THR 93 Cb 1.29 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3hx5 h THR 93 CO 0.54 0.04 0.28 -0.65 0.37 0.00 0.00 175.52 176.11 3hx5 h PRO 94 N 0.22 0.56 -0.57 6.66 0.11 -1.95 -1.51 132.00 135.53 3hx5 h PRO 94 Ca 0.39 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 3hx5 h PRO 94 Cb 0.66 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.62 3hx5 h PRO 94 CO -0.52 0.37 0.31 -0.44 -0.21 0.00 0.00 178.00 177.51 3hx5 h ASP 95 N 0.58 0.71 -0.63 -2.05 5.19 -1.70 -1.54 116.42 116.98 3hx5 h ASP 95 Ca 0.16 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 3hx5 h ASP 95 Cb -0.06 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.24 3hx5 h ASP 95 CO -0.04 0.60 0.35 0.00 -3.12 0.00 0.00 179.24 177.03 3hx5 h ALA 96 N 1.14 0.81 -0.74 3.45 0.00 -1.06 -1.84 119.26 121.02 3hx5 h ALA 96 Ca 0.20 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3hx5 h ALA 96 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3hx5 h ALA 96 CO -0.03 0.32 0.24 1.98 0.00 0.00 0.00 179.25 181.76 3hx5 h MET 97 N 0.86 1.13 -0.76 0.00 -1.53 -0.98 -1.60 114.93 112.05 3hx5 h MET 97 Ca 0.22 -0.23 -0.01 0.00 -3.44 0.00 0.00 59.70 56.24 3hx5 h MET 97 Cb 0.03 -0.17 -0.04 0.00 -0.55 0.00 0.00 31.60 30.87 3hx5 h MET 97 CO -0.04 0.95 0.44 0.87 0.14 0.00 0.00 176.91 179.27 3hx5 h LYS 98 N 1.09 1.05 -0.65 0.39 1.57 -0.78 0.22 116.57 119.47 3hx5 h LYS 98 Ca 0.24 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3hx5 h LYS 98 Cb 0.28 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3hx5 h LYS 98 CO -0.01 0.76 0.16 0.00 -0.57 0.00 0.00 179.45 179.80 3hx5 h ALA 99 N 1.23 0.85 -0.71 3.86 0.00 -0.95 -0.55 119.26 122.99 3hx5 h ALA 99 Ca 0.27 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3hx5 h ALA 99 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3hx5 h ALA 99 CO -0.05 0.56 0.16 0.00 0.00 0.00 0.00 179.25 179.92 3hx5 h ALA 100 N 1.06 0.93 0.51 0.00 0.00 -0.67 -0.46 119.26 120.63 3hx5 h ALA 100 Ca 0.20 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hx5 h ALA 100 Cb 0.35 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hx5 h ALA 100 CO 0.00 0.67 -0.25 1.98 0.00 0.00 0.00 179.25 181.65 3hx5 h MET 101 N 1.07 -0.66 -0.75 0.00 -1.53 -0.15 -0.80 114.93 112.12 3hx5 h MET 101 Ca 0.22 0.05 0.04 0.00 -3.44 0.00 0.00 59.70 56.57 3hx5 h MET 101 Cb 0.39 0.15 -0.05 0.00 -0.55 0.00 0.00 31.60 31.54 3hx5 h MET 101 CO 0.00 -0.43 0.46 0.00 0.14 0.00 0.00 176.91 177.08 3hx5 h ALA 102 N -0.21 1.00 -0.91 0.39 0.00 -1.00 0.28 119.26 118.81 3hx5 h ALA 102 Ca -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hx5 h ALA 102 Cb 0.53 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3hx5 h ALA 102 CO 0.12 0.21 0.59 1.25 0.00 0.00 0.00 179.25 181.42 3hx5 h LEU 103 N 0.87 1.06 -0.28 0.00 5.85 -0.91 0.02 115.31 121.91 3hx5 h LEU 103 Ca 0.31 -0.04 -0.19 0.00 0.84 0.00 0.00 57.88 58.81 3hx5 h LEU 103 Cb 0.09 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3hx5 h LEU 103 CO -0.14 0.78 -0.55 -0.33 -0.34 0.00 0.00 178.44 177.86 3hx5 h GLU 104 N 1.24 0.87 -0.89 1.25 4.39 -0.32 -1.56 114.58 119.57 3hx5 h GLU 104 Ca 0.33 -0.56 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 3hx5 h GLU 104 Cb -0.12 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 3hx5 h GLU 104 CO -0.07 1.19 0.52 0.87 -1.16 0.00 0.00 179.01 180.36 3hx5 h LYS 105 N 0.66 1.21 0.03 2.33 1.57 -0.61 0.42 116.57 122.19 3hx5 h LYS 105 Ca 0.01 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3hx5 h LYS 105 Cb 1.16 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3hx5 h LYS 105 CO 0.12 0.86 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.56 3hx5 h LYS 106 N 1.22 -0.16 -0.85 3.15 3.64 -0.87 0.61 116.57 123.32 3hx5 h LYS 106 Ca 0.32 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 3hx5 h LYS 106 Cb -0.03 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 3hx5 h LYS 106 CO -0.06 -0.10 0.43 -0.07 -2.27 0.00 0.00 179.45 177.38 3hx5 h LEU 107 N -0.16 1.09 -0.34 5.20 3.38 -0.55 -1.38 115.31 122.55 3hx5 h LEU 107 Ca 0.02 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3hx5 h LEU 107 Cb 0.18 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hx5 h LEU 107 CO -0.06 0.90 0.20 -1.13 0.09 0.00 0.00 178.44 178.44 3hx5 h ASN 108 N 1.19 0.34 -0.51 -0.43 -1.24 0.36 -1.10 115.58 114.19 3hx5 h ASN 108 Ca 0.29 -0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.32 3hx5 h ASN 108 Cb 0.08 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 3hx5 h ASN 108 CO -0.04 0.24 0.31 -0.61 -1.29 0.00 0.00 177.43 176.05 3hx5 h GLN 109 N 0.42 0.61 -0.70 6.67 5.75 -0.32 -0.29 115.11 127.24 3hx5 h GLN 109 Ca 0.13 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.66 3hx5 h GLN 109 Cb -0.01 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.36 3hx5 h GLN 109 CO -0.05 0.40 0.46 0.00 -2.65 0.00 0.00 178.83 176.99 3hx5 h ALA 110 N 1.22 1.75 -0.22 3.38 0.00 -0.71 0.10 119.26 124.78 3hx5 h ALA 110 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3hx5 h ALA 110 Cb -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hx5 h ALA 110 CO -0.08 0.13 -0.17 -0.07 0.00 0.00 0.00 179.25 179.06 3hx5 h LEU 111 N 0.69 0.53 -1.08 0.00 3.38 -0.08 -2.09 115.31 116.66 3hx5 h LEU 111 Ca 0.31 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3hx5 h LEU 111 Cb 0.31 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3hx5 h LEU 111 CO -0.10 0.87 0.61 -0.07 0.09 0.00 0.00 178.44 179.85 3hx5 h LEU 112 N 0.20 1.07 -0.23 1.67 3.38 0.01 -1.23 115.31 120.19 3hx5 h LEU 112 Ca 0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hx5 h LEU 112 Cb 0.70 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3hx5 h LEU 112 CO 0.05 0.78 0.11 0.44 0.09 0.00 0.00 178.44 179.90 3hx5 h ASP 113 N 1.26 0.30 0.03 -0.43 3.45 -0.90 -0.48 116.42 119.65 3hx5 h ASP 113 Ca 0.34 -0.12 -0.05 0.00 0.43 0.00 0.00 57.03 57.63 3hx5 h ASP 113 Cb -0.14 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 3hx5 h ASP 113 CO -0.07 0.34 -0.14 0.25 -1.57 0.00 0.00 179.24 178.04 3hx5 h LEU 114 N 0.24 0.23 -0.25 1.55 5.85 -0.97 -0.93 115.31 121.03 3hx5 h LEU 114 Ca 0.08 -0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 3hx5 h LEU 114 Cb 0.12 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3hx5 h LEU 114 CO -0.01 0.40 -0.48 -0.74 -0.34 0.00 0.00 178.44 177.27 3hx5 h HIS 115 N 0.23 0.97 -0.11 1.25 2.76 -0.77 -1.30 115.15 118.18 3hx5 h HIS 115 Ca 0.05 -0.35 0.01 0.00 -2.20 0.00 0.00 60.37 57.87 3hx5 h HIS 115 Cb 0.40 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3hx5 h HIS 115 CO 0.01 1.15 0.05 0.00 -1.30 0.00 0.00 177.93 177.84 3hx5 h ALA 116 N 0.64 0.13 -0.77 5.26 0.00 -0.70 -0.69 119.26 123.13 3hx5 h ALA 116 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3hx5 h ALA 116 Cb 1.09 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 3hx5 h ALA 116 CO 0.11 -0.40 0.51 1.25 0.00 0.00 0.00 179.25 180.72 3hx5 h LEU 117 N 0.11 0.77 -0.46 0.00 5.85 -1.13 -0.52 115.31 119.94 3hx5 h LEU 117 Ca 0.04 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 3hx5 h LEU 117 Cb 0.01 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3hx5 h LEU 117 CO -0.03 0.51 0.03 1.23 -0.34 0.00 0.00 178.44 179.84 3hx5 h GLY 118 N 0.89 0.85 0.92 3.75 0.00 -0.37 -0.88 103.07 108.24 3hx5 h GLY 118 Ca 0.32 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 3hx5 h GLY 118 CO -0.10 0.56 0.02 1.76 0.00 0.00 0.00 176.54 178.77 3hx5 h SER 119 N 0.65 0.04 -0.99 0.19 0.02 -0.31 0.21 113.55 113.37 3hx5 h SER 119 Ca 0.13 -0.08 0.12 0.00 -0.84 0.00 0.00 61.79 61.12 3hx5 h SER 119 Cb 0.45 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.90 3hx5 h SER 119 CO 0.02 0.12 0.62 0.00 -1.14 0.00 0.00 176.83 176.45 3hx5 h ALA 120 N 0.93 1.57 -0.06 3.77 0.00 -0.97 0.25 119.26 124.76 3hx5 h ALA 120 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hx5 h ALA 120 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hx5 h ALA 120 CO -0.00 0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.97 3hx5 n ARG 121 N -4.61 1.55 -3.64 0.00 5.12 -0.35 -4.94 116.66 109.80 3hx5 n ARG 121 Ca 0.19 -0.81 -0.25 0.00 -1.93 0.00 0.00 57.85 55.05 3hx5 n ARG 121 Cb 0.37 -1.44 0.04 0.00 -1.16 0.00 0.00 32.46 30.27 3hx5 n ARG 121 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hx5 n THR 122 N -0.00 -5.81 -3.77 0.55 -2.24 0.89 -4.97 114.28 98.94 3hx5 n THR 122 Ca 0.18 -0.86 -0.34 0.00 -2.27 0.00 0.00 64.05 60.76 3hx5 n THR 122 Cb 0.29 -4.42 -0.10 0.00 -2.10 0.00 0.00 70.33 64.00 3hx5 n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hx5 s ASP 123 N -3.79 5.19 0.34 3.42 -1.08 0.57 -4.95 116.67 116.37 3hx5 s ASP 123 Ca 0.30 -3.26 0.02 0.00 -0.52 0.00 0.00 52.55 49.09 3hx5 s ASP 123 Cb -0.09 -1.80 0.62 0.00 -1.46 0.00 0.00 42.92 40.19 3hx5 s ASP 123 CO 0.83 -0.25 1.97 1.55 0.52 0.00 0.00 175.17 179.79 3hx5 h PRO 124 N 6.43 0.77 -0.40 4.34 0.13 -1.93 -2.83 132.00 138.51 3hx5 h PRO 124 Ca 0.04 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3hx5 h PRO 124 Cb 0.88 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 3hx5 h PRO 124 CO 0.74 0.56 0.25 1.25 -0.23 0.00 0.00 178.00 180.58 3hx5 h HIS 125 N 0.78 0.51 -0.70 1.56 2.76 -1.97 0.56 115.15 118.65 3hx5 h HIS 125 Ca 0.20 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 3hx5 h HIS 125 Cb 0.01 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 3hx5 h HIS 125 CO 0.00 0.34 0.26 1.25 -1.30 0.00 0.00 177.93 178.49 3hx5 h LEU 126 N 0.53 0.97 -0.03 0.26 5.85 -1.94 -1.05 115.31 119.91 3hx5 h LEU 126 Ca 0.14 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3hx5 h LEU 126 Cb -0.03 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 3hx5 h LEU 126 CO -0.03 0.89 0.02 0.00 -0.34 0.00 0.00 178.44 178.98 3hx5 h ASP 128 N 0.00 0.37 -0.96 0.00 3.58 -0.77 -0.93 116.42 117.70 3hx5 h ASP 128 Ca 0.01 -0.09 0.11 0.00 0.42 0.00 0.00 57.03 57.48 3hx5 h ASP 128 Cb 0.04 -0.09 -0.08 0.00 1.72 0.00 0.00 39.33 40.92 3hx5 h ASP 128 CO -0.00 0.35 0.61 0.15 -2.88 0.00 0.00 179.24 177.47 3hx5 h PHE 129 N 0.35 1.06 -0.03 0.28 3.04 -1.06 0.23 116.94 120.82 3hx5 h PHE 129 Ca 0.10 0.03 -0.22 0.00 3.98 0.00 0.00 57.97 61.87 3hx5 h PHE 129 Cb 0.07 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.24 3hx5 h PHE 129 CO -0.03 0.45 -0.88 -0.07 -2.02 0.00 0.00 178.31 175.76 3hx5 h LEU 130 N 0.95 0.56 -0.32 0.59 3.38 -1.01 -2.63 115.31 116.84 3hx5 h LEU 130 Ca 0.46 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3hx5 h LEU 130 Cb 0.45 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3hx5 h LEU 130 CO -0.22 1.21 0.00 -0.33 0.09 0.00 0.00 178.44 179.19 3hx5 h GLU 131 N 0.27 0.56 0.42 1.13 5.08 -0.01 0.37 114.58 122.40 3hx5 h GLU 131 Ca -0.07 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3hx5 h GLU 131 Cb 1.50 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.71 3hx5 h GLU 131 CO 0.16 0.69 -0.20 1.15 -1.00 0.00 0.00 179.01 179.80 3hx5 h THR 132 N 0.36 0.35 -0.02 1.13 2.02 -0.65 -3.37 112.91 112.72 3hx5 h THR 132 Ca 0.09 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3hx5 h THR 132 Cb 0.44 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3hx5 h THR 132 CO 0.02 0.07 -0.26 1.41 0.37 0.00 0.00 175.52 177.12 3hx5 n HIS 133 N -5.18 0.00 0.06 3.16 8.25 -0.99 -4.82 115.22 115.70 3hx5 n HIS 133 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3hx5 n HIS 133 Cb 0.28 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 3hx5 n HIS 133 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hx5 n PHE 134 N 0.54 -0.59 -0.07 4.41 3.72 -0.64 -4.75 117.46 120.08 3hx5 n PHE 134 Ca 0.11 0.10 -0.14 0.00 -0.05 0.00 0.00 57.45 57.47 3hx5 n PHE 134 Cb 0.52 0.15 -0.10 0.00 -0.94 0.00 0.00 39.48 39.11 3hx5 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3hx5 h LEU 135 N 0.00 -1.77 -0.39 4.37 3.38 -1.14 -2.66 115.31 117.10 3hx5 h LEU 135 Ca 0.00 0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.21 3hx5 h LEU 135 Cb 0.11 0.71 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3hx5 h LEU 135 CO 0.00 -0.45 0.23 -0.78 0.09 0.00 0.00 178.44 177.53 3hx5 h ASP 136 N -0.50 0.37 -0.24 -0.43 -0.00 -1.83 -2.29 116.42 111.50 3hx5 h ASP 136 Ca 0.05 0.00 0.07 0.00 -0.00 0.00 0.00 57.03 57.16 3hx5 h ASP 136 Cb 0.64 -0.08 -0.01 0.00 -0.00 0.00 0.00 39.33 39.89 3hx5 h ASP 136 CO -0.51 0.27 0.19 -0.33 -0.00 0.00 0.00 179.24 178.85 3hx5 h GLU 137 N 0.46 0.00 -0.00 0.28 4.39 -1.82 -2.22 114.58 115.66 3hx5 h GLU 137 Ca 0.15 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 3hx5 h GLU 137 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3hx5 h GLU 137 CO -0.07 0.00 -0.25 0.93 -1.16 0.00 0.00 179.01 178.46 3hx5 h GLU 138 N 0.00 0.17 -0.77 2.33 4.39 -1.06 -2.31 114.58 117.33 3hx5 h GLU 138 Ca 0.11 -0.18 0.05 0.00 0.34 0.00 0.00 59.36 59.68 3hx5 h GLU 138 Cb 0.48 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 3hx5 h GLU 138 CO -0.00 0.92 0.47 0.28 -1.16 0.00 0.00 179.01 179.51 3hx5 h VAL 139 N -0.50 1.04 -0.47 3.13 2.07 -1.18 0.27 116.25 120.60 3hx5 h VAL 139 Ca -0.03 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 3hx5 h VAL 139 Cb 1.00 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3hx5 h VAL 139 CO 0.05 0.16 0.08 0.11 0.02 0.00 0.00 177.57 177.99 3hx5 h LYS 140 N 0.87 0.78 -0.37 1.57 1.57 -1.50 0.42 116.57 119.91 3hx5 h LYS 140 Ca 0.33 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.78 3hx5 h LYS 140 Cb 0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hx5 h LYS 140 CO -0.15 0.78 -0.26 1.25 -0.57 0.00 0.00 179.45 180.50 3hx5 h LEU 141 N 0.65 0.78 -0.65 2.94 5.85 -0.82 0.53 115.31 124.60 3hx5 h LEU 141 Ca 0.14 -0.30 -0.14 0.00 0.84 0.00 0.00 57.88 58.43 3hx5 h LEU 141 Cb 0.38 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3hx5 h LEU 141 CO 0.01 1.01 -0.42 0.40 -0.34 0.00 0.00 178.44 179.09 3hx5 h ILE 142 N 0.66 1.30 -0.23 4.05 2.04 -0.32 -1.56 117.51 123.44 3hx5 h ILE 142 Ca 0.08 -1.60 -0.04 0.00 1.00 0.00 0.00 64.86 64.30 3hx5 h ILE 142 Cb 0.78 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3hx5 h ILE 142 CO 0.06 0.50 -0.02 0.50 0.00 0.00 0.00 178.15 179.19 3hx5 h LYS 143 N 0.47 0.43 -0.83 2.37 1.63 -0.64 -1.24 116.57 118.75 3hx5 h LYS 143 Ca 0.04 -0.15 0.05 0.00 -0.85 0.00 0.00 60.65 59.74 3hx5 h LYS 143 Cb 0.93 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.47 3hx5 h LYS 143 CO 0.08 0.63 0.52 -0.22 -3.45 0.00 0.00 179.45 177.01 3hx5 h LYS 144 N 0.18 0.96 -0.17 1.90 3.64 -0.75 -1.28 116.57 121.04 3hx5 h LYS 144 Ca 0.06 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 3hx5 h LYS 144 Cb 0.45 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3hx5 h LYS 144 CO 0.02 0.63 -0.38 0.52 -2.27 0.00 0.00 179.45 177.96 3hx5 h MET 145 N 0.99 0.37 -0.30 1.90 2.86 -1.12 -2.17 114.93 117.45 3hx5 h MET 145 Ca 0.35 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3hx5 h MET 145 Cb 0.10 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3hx5 h MET 145 CO -0.15 0.70 0.11 0.78 1.06 0.00 0.00 176.91 179.41 3hx5 h GLY 146 N 1.14 0.50 0.74 8.32 0.00 -0.25 -1.23 103.07 112.29 3hx5 h GLY 146 Ca 0.03 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.10 3hx5 h GLY 146 CO 0.07 0.27 0.02 -0.55 0.00 0.00 0.00 176.54 176.34 3hx5 h ASP 147 N 0.34 -0.03 -0.46 0.19 3.32 -1.05 -1.04 116.42 117.68 3hx5 h ASP 147 Ca 0.10 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.23 3hx5 h ASP 147 Cb 0.22 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3hx5 h ASP 147 CO -0.01 0.01 0.21 0.45 -1.72 0.00 0.00 179.24 178.19 3hx5 h HIS 148 N 0.09 0.38 -0.35 4.55 3.86 -1.24 -0.86 115.15 121.58 3hx5 h HIS 148 Ca 0.09 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.37 3hx5 h HIS 148 Cb 0.10 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 3hx5 h HIS 148 CO -0.16 0.17 0.06 -0.07 0.86 0.00 0.00 177.93 178.80 3hx5 h LEU 149 N 0.42 -0.00 -1.20 2.43 3.38 -0.71 0.19 115.31 119.81 3hx5 h LEU 149 Ca 0.21 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 3hx5 h LEU 149 Cb 0.15 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3hx5 h LEU 149 CO -0.17 0.04 0.24 0.74 0.09 0.00 0.00 178.44 179.37 3hx5 h THR 150 N 0.18 1.20 -0.00 0.22 2.02 -0.63 -1.11 112.91 114.78 3hx5 h THR 150 Ca 0.17 -0.59 -0.20 0.00 0.77 0.00 0.00 66.41 66.55 3hx5 h THR 150 Cb 0.19 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3hx5 h THR 150 CO -0.22 0.24 -0.87 0.78 0.37 0.00 0.00 175.52 175.81 3hx5 h ASN 151 N 0.79 0.34 -0.41 4.18 2.35 -0.25 -1.94 115.58 120.65 3hx5 h ASN 151 Ca 0.19 -0.27 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 3hx5 h ASN 151 Cb 0.13 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3hx5 h ASN 151 CO -0.02 1.06 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.59 3hx5 h LEU 152 N 0.15 0.85 -0.80 1.61 3.38 -0.29 -2.17 115.31 118.03 3hx5 h LEU 152 Ca -0.05 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 3hx5 h LEU 152 Cb 1.50 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 3hx5 h LEU 152 CO 0.14 1.05 -0.01 -0.74 0.09 0.00 0.00 178.44 178.97 3hx5 h HIS 153 N 0.64 0.97 -0.39 1.13 2.76 -1.24 -2.90 115.15 116.12 3hx5 h HIS 153 Ca 0.09 -0.15 -0.05 0.00 -2.20 0.00 0.00 60.37 58.07 3hx5 h HIS 153 Cb 0.72 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 3hx5 h HIS 153 CO 0.05 0.88 0.05 -0.09 -1.30 0.00 0.00 177.93 177.52 3hx5 h ARG 154 N 0.83 0.60 -0.99 5.26 2.43 -1.13 -3.10 114.38 118.28 3hx5 h ARG 154 Ca 0.15 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3hx5 h ARG 154 Cb 0.50 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3hx5 h ARG 154 CO 0.02 0.59 0.00 1.28 -1.51 0.00 0.00 179.97 180.35 3hx5 n LEU 155 N -4.29 1.47 -0.05 3.80 4.77 -0.84 -3.33 117.00 118.53 3hx5 n LEU 155 Ca 0.02 -0.74 -0.03 0.00 -0.03 0.00 0.00 56.01 55.23 3hx5 n LEU 155 Cb 0.23 -0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 40.83 3hx5 n LEU 155 CO 0.39 0.28 -0.90 0.61 -1.33 0.00 0.00 177.39 176.44 3hx5 n GLY 156 N 0.37 -0.72 0.00 -0.72 0.00 -1.17 -4.95 105.19 98.00 3hx5 n GLY 156 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3hx5 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx5 n GLY 157 N 1.96 5.15 0.33 -0.02 0.00 -1.21 -5.02 105.19 106.38 3hx5 n GLY 157 Ca -0.18 -1.66 0.16 0.00 0.00 0.00 0.00 46.02 44.34 3hx5 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx5 h PRO 158 N 0.00 0.00 -1.01 1.61 0.13 -1.97 -2.92 132.00 127.84 3hx5 h PRO 158 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3hx5 h PRO 158 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hx5 h PRO 158 CO 0.00 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.16 3hx5 n GLU 159 N -3.87 0.66 -1.00 0.86 1.02 -1.26 -4.82 120.64 112.23 3hx5 n GLU 159 Ca 0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.07 3hx5 n GLU 159 Cb 0.29 -1.25 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 3hx5 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hx5 n ALA 160 N 0.42 0.31 -0.78 0.62 0.00 -1.11 -4.69 120.51 115.29 3hx5 n ALA 160 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.23 3hx5 n ALA 160 Cb 0.25 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3hx5 n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91