#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx5 s SER 3 N 0.00 7.08 0.30 6.43 0.15 -1.26 -4.99 113.70 121.41 3hx5 s SER 3 Ca 0.00 1.50 0.03 0.00 0.70 0.00 0.00 55.95 58.18 3hx5 s SER 3 Cb 0.00 -2.45 0.62 0.00 -1.71 0.00 0.00 66.02 62.48 3hx5 s SER 3 CO 0.00 -0.03 1.83 1.56 1.20 0.00 0.00 173.24 177.81 3hx5 h GLN 4 N 3.18 0.89 0.00 5.44 4.20 -2.00 -2.42 115.11 124.41 3hx5 h GLN 4 Ca -0.48 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.18 3hx5 h GLN 4 Cb 1.19 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.77 3hx5 h GLN 4 CO 0.65 0.59 -0.25 0.44 -0.67 0.00 0.00 178.83 179.59 3hx5 n ILE 5 N -4.63 0.15 -1.72 2.54 -5.35 -1.26 -4.94 119.36 104.15 3hx5 n ILE 5 Ca 0.19 -0.09 -0.43 0.00 -0.27 0.00 0.00 62.75 62.16 3hx5 n ILE 5 Cb 0.40 -0.23 -0.02 0.00 -1.74 0.00 0.00 39.64 38.06 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 -1.71 2.47 -3.40 6.28 0.63 -0.91 -4.80 116.66 115.21 3hx5 n ARG 6 Ca 0.06 0.88 0.02 0.00 -0.92 0.00 0.00 57.85 57.88 3hx5 n ARG 6 Cb 0.37 -2.60 -0.04 0.00 0.45 0.00 0.00 32.46 30.64 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 -0.77 0.33 -1.59 -0.14 0.74 -1.26 -4.95 119.66 112.02 3hx5 s GLN 7 Ca 0.63 0.80 0.00 0.00 0.05 0.00 0.00 55.36 56.84 3hx5 s GLN 7 Cb -0.54 0.48 0.00 0.00 1.10 0.00 0.00 33.01 34.05 3hx5 s GLN 7 CO 0.52 -0.14 0.00 -1.71 -0.55 0.00 0.00 175.29 173.40 3hx5 n ASN 8 N 5.09 -4.90 -4.23 6.67 5.15 -1.26 -4.96 115.26 116.82 3hx5 n ASN 8 Ca -0.09 0.37 -0.42 0.00 -0.60 0.00 0.00 54.58 53.84 3hx5 n ASN 8 Cb 0.52 -3.71 -0.08 0.00 -0.53 0.00 0.00 39.78 35.98 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 -2.52 3.43 0.52 1.20 5.04 -1.26 -4.80 117.35 118.95 3hx5 s TYR 9 Ca 0.00 -1.86 -0.22 0.00 -2.44 0.00 0.00 57.07 52.55 3hx5 s TYR 9 Cb 0.00 -3.55 -0.06 0.00 0.35 0.00 0.00 41.96 38.71 3hx5 s TYR 9 CO 0.00 -0.99 1.30 -1.54 -1.34 0.00 0.00 175.55 172.99 3hx5 s SER 10 N 2.63 5.53 0.44 4.32 1.04 -1.26 -4.89 113.70 121.51 3hx5 s SER 10 Ca 0.07 2.64 0.18 0.00 0.48 0.00 0.00 55.95 59.32 3hx5 s SER 10 Cb -0.25 -2.63 1.03 0.00 0.10 0.00 0.00 66.02 64.27 3hx5 s SER 10 CO -0.01 -1.38 1.95 0.71 0.98 0.00 0.00 173.24 175.49 3hx5 h THR 11 N 1.58 1.00 -0.13 2.02 1.35 -1.99 -1.84 112.91 114.89 3hx5 h THR 11 Ca -0.50 -0.84 -0.09 0.00 -0.55 0.00 0.00 66.41 64.43 3hx5 h THR 11 Cb 1.28 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 3hx5 h THR 11 CO 0.58 0.23 -0.32 0.44 -0.25 0.00 0.00 175.52 176.20 3hx5 h ASP 12 N 0.00 0.26 0.37 5.36 3.45 -2.00 -1.25 116.42 122.62 3hx5 h ASP 12 Ca -0.00 -0.09 -0.32 0.00 0.43 0.00 0.00 57.03 57.05 3hx5 h ASP 12 Cb 0.46 -0.07 0.03 0.00 -0.56 0.00 0.00 39.33 39.18 3hx5 h ASP 12 CO 0.03 0.58 -1.39 0.58 -1.57 0.00 0.00 179.24 177.46 3hx5 h VAL 13 N 0.23 1.35 -0.51 -1.35 2.07 -1.81 -2.73 116.25 113.51 3hx5 h VAL 13 Ca 0.03 -2.80 0.06 0.00 0.82 0.00 0.00 66.70 64.81 3hx5 h VAL 13 Cb 0.68 2.99 -0.05 0.00 -1.52 0.00 0.00 31.29 33.39 3hx5 h VAL 13 CO 0.05 0.83 0.21 -0.08 0.02 0.00 0.00 177.57 178.61 3hx5 h GLU 14 N 0.13 0.40 -0.43 1.57 4.81 -1.08 -0.18 114.58 119.81 3hx5 h GLU 14 Ca -0.22 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 58.86 3hx5 h GLU 14 Cb 2.09 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 3hx5 h GLU 14 CO 0.25 0.27 -0.26 0.00 -0.73 0.00 0.00 179.01 178.54 3hx5 h ALA 15 N 1.31 0.72 -0.02 2.92 0.00 -1.30 -2.84 119.26 120.04 3hx5 h ALA 15 Ca 0.24 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3hx5 h ALA 15 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hx5 h ALA 15 CO -0.21 0.67 -0.31 0.00 0.00 0.00 0.00 179.25 179.39 3hx5 h ALA 16 N 0.91 1.44 0.16 0.00 0.00 -1.07 -1.77 119.26 118.92 3hx5 h ALA 16 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3hx5 h ALA 16 Cb 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hx5 h ALA 16 CO 0.07 0.42 -0.08 0.28 0.00 0.00 0.00 179.25 179.94 3hx5 h VAL 17 N 0.04 0.97 -0.59 0.00 2.07 -0.89 0.10 116.25 117.95 3hx5 h VAL 17 Ca 0.00 -0.63 0.10 0.00 0.82 0.00 0.00 66.70 66.99 3hx5 h VAL 17 Cb 0.58 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 3hx5 h VAL 17 CO 0.04 0.15 0.40 0.78 0.02 0.00 0.00 177.57 178.95 3hx5 h ASN 18 N -0.52 0.36 -0.15 0.57 2.35 -1.31 0.20 115.58 117.09 3hx5 h ASN 18 Ca -0.02 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 3hx5 h ASN 18 Cb 0.40 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3hx5 h ASN 18 CO 0.04 0.22 -0.36 -1.28 -1.65 0.00 0.00 177.43 174.39 3hx5 h SER 19 N 0.40 0.57 -0.55 5.81 0.87 -1.04 -2.62 113.55 116.99 3hx5 h SER 19 Ca 0.27 -0.58 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 3hx5 h SER 19 Cb 0.54 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 3hx5 h SER 19 CO -0.07 1.05 0.32 0.25 -0.53 0.00 0.00 176.83 177.84 3hx5 h LEU 20 N 0.12 0.69 0.27 2.23 5.85 0.12 -0.77 115.31 123.82 3hx5 h LEU 20 Ca -0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3hx5 h LEU 20 Cb 0.97 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3hx5 h LEU 20 CO 0.08 0.55 -0.19 0.58 -0.34 0.00 0.00 178.44 179.12 3hx5 h VAL 21 N 0.79 0.60 -0.34 1.05 2.07 -0.62 -0.20 116.25 119.60 3hx5 h VAL 21 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.73 3hx5 h VAL 21 Cb 0.01 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3hx5 h VAL 21 CO -0.04 0.00 0.22 -1.13 0.02 0.00 0.00 177.57 176.65 3hx5 h ASN 22 N -0.46 0.40 0.11 0.57 -0.73 -1.04 0.14 115.58 114.57 3hx5 h ASN 22 Ca -0.02 -0.01 -0.11 0.00 1.87 0.00 0.00 56.30 58.03 3hx5 h ASN 22 Cb 0.39 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 3hx5 h ASN 22 CO 0.01 0.30 -0.38 0.25 -0.37 0.00 0.00 177.43 177.24 3hx5 h LEU 23 N 0.47 0.37 -0.03 0.34 5.85 -0.54 -2.17 115.31 119.60 3hx5 h LEU 23 Ca 0.13 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 3hx5 h LEU 23 Cb -0.04 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 40.89 3hx5 h LEU 23 CO -0.03 0.72 -0.37 1.88 -0.34 0.00 0.00 178.44 180.30 3hx5 h TYR 24 N 0.30 0.44 -0.64 1.25 -1.99 0.81 -2.26 116.97 114.88 3hx5 h TYR 24 Ca 0.03 -0.21 0.11 0.00 2.00 0.00 0.00 58.73 60.66 3hx5 h TYR 24 Cb 0.80 -0.06 -0.08 0.00 2.00 0.00 0.00 36.73 39.39 3hx5 h TYR 24 CO 0.02 0.99 0.20 -0.07 -0.00 0.00 0.00 178.16 179.30 3hx5 h LEU 25 N -0.24 0.14 -1.44 3.88 3.38 -0.76 0.23 115.31 120.50 3hx5 h LEU 25 Ca -0.04 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3hx5 h LEU 25 Cb 1.07 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3hx5 h LEU 25 CO 0.07 0.07 -0.05 -0.61 0.09 0.00 0.00 178.44 178.01 3hx5 h GLN 26 N 0.35 0.30 -0.24 1.13 4.15 -1.40 -0.50 115.11 118.91 3hx5 h GLN 26 Ca 0.34 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.57 3hx5 h GLN 26 Cb 0.48 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 3hx5 h GLN 26 CO -0.37 0.38 -0.35 0.00 -1.93 0.00 0.00 178.83 176.55 3hx5 h ALA 27 N 1.66 0.36 -0.58 3.38 0.00 -0.13 -2.12 119.26 121.83 3hx5 h ALA 27 Ca 0.07 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.56 3hx5 h ALA 27 Cb 0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3hx5 h ALA 27 CO 0.01 0.43 0.37 1.03 0.00 0.00 0.00 179.25 181.09 3hx5 h SER 28 N 0.37 0.62 -0.81 0.00 0.87 0.02 -1.59 113.55 113.02 3hx5 h SER 28 Ca 0.02 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3hx5 h SER 28 Cb 0.94 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.72 3hx5 h SER 28 CO 0.08 0.45 0.49 0.22 -0.53 0.00 0.00 176.83 177.54 3hx5 h TYR 29 N 0.75 1.06 -0.32 2.24 5.03 -1.03 -0.33 116.97 124.36 3hx5 h TYR 29 Ca 0.22 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.53 3hx5 h TYR 29 Cb -0.04 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 37.88 3hx5 h TYR 29 CO -0.04 0.71 0.18 1.15 -1.32 0.00 0.00 178.16 178.83 3hx5 h THR 30 N 1.11 1.13 -0.46 1.81 2.02 -0.82 -1.79 112.91 115.91 3hx5 h THR 30 Ca 0.29 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 3hx5 h THR 30 Cb -0.05 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3hx5 h THR 30 CO -0.06 0.13 0.06 1.88 0.37 0.00 0.00 175.52 177.90 3hx5 h TYR 31 N 0.40 0.74 0.61 3.16 0.05 -0.90 0.13 116.97 121.15 3hx5 h TYR 31 Ca 0.11 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 3hx5 h TYR 31 Cb 0.05 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.57 3hx5 h TYR 31 CO -0.03 0.66 -0.37 1.25 -1.05 0.00 0.00 178.16 178.62 3hx5 h LEU 32 N 0.68 -0.92 -0.77 3.88 5.85 -0.68 0.80 115.31 124.16 3hx5 h LEU 32 Ca 0.15 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.03 3hx5 h LEU 32 Cb 0.33 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 3hx5 h LEU 32 CO 0.01 -0.58 0.38 -1.28 -0.34 0.00 0.00 178.44 176.63 3hx5 h SER 33 N -0.92 0.47 -0.63 1.25 0.87 -0.94 0.22 113.55 113.88 3hx5 h SER 33 Ca -0.07 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 3hx5 h SER 33 Cb 0.74 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 3hx5 h SER 33 CO 0.08 0.24 0.21 -0.07 -0.53 0.00 0.00 176.83 176.76 3hx5 h LEU 34 N 0.60 0.94 0.12 2.23 3.38 -0.18 -1.11 115.31 121.29 3hx5 h LEU 34 Ca 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3hx5 h LEU 34 Cb 0.48 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hx5 h LEU 34 CO -0.31 0.87 -0.06 1.23 0.09 0.00 0.00 178.44 180.26 3hx5 h GLY 35 N 1.06 -0.17 2.00 0.83 0.00 0.38 -2.98 103.07 104.18 3hx5 h GLY 35 Ca 0.22 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 3hx5 h GLY 35 CO -0.01 -0.06 -0.21 0.74 0.00 0.00 0.00 176.54 177.00 3hx5 h PHE 36 N -0.16 0.00 -0.72 5.60 -1.00 -1.07 -3.17 116.94 116.42 3hx5 h PHE 36 Ca -0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 3hx5 h PHE 36 Cb 0.13 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.65 3hx5 h PHE 36 CO -0.07 0.21 0.40 -0.92 -1.61 0.00 0.00 178.31 176.32 3hx5 h TYR 37 N 0.00 0.98 0.00 -0.55 3.20 -1.05 -1.85 116.97 117.70 3hx5 h TYR 37 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3hx5 h TYR 37 Cb 0.96 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.91 3hx5 h TYR 37 CO 0.00 0.69 0.00 1.19 -1.64 0.00 0.00 178.16 178.40 3hx5 n PHE 38 N -4.49 0.20 0.84 -3.82 3.72 -1.16 -2.68 117.46 110.08 3hx5 n PHE 38 Ca 0.06 0.06 0.13 0.00 -0.05 0.00 0.00 57.45 57.65 3hx5 n PHE 38 Cb 0.09 -0.60 0.36 0.00 -0.94 0.00 0.00 39.48 38.39 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 -1.66 0.45 -4.75 4.37 4.64 -0.71 -1.18 116.55 117.70 3hx5 n ASP 39 Ca 0.06 0.17 -0.40 0.00 -1.38 0.00 0.00 54.79 53.24 3hx5 n ASP 39 Cb 0.32 -0.13 0.02 0.00 -1.04 0.00 0.00 41.12 40.29 3hx5 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hx5 n ARG 40 N -1.75 2.11 0.27 -0.67 1.74 -1.09 -4.63 116.66 112.64 3hx5 n ARG 40 Ca 0.05 0.75 0.12 0.00 -0.77 0.00 0.00 57.85 58.01 3hx5 n ARG 40 Cb 0.37 -2.58 0.78 0.00 -1.02 0.00 0.00 32.46 30.01 3hx5 n ARG 40 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3hx5 h ASP 41 N 2.11 0.00 0.22 0.55 2.03 -1.90 1.02 116.42 120.45 3hx5 h ASP 41 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 3hx5 h ASP 41 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 3hx5 h ASP 41 CO 0.60 0.06 -0.19 -0.90 -1.03 0.00 0.00 179.24 177.78 3hx5 n ASP 42 N -3.93 0.98 -0.03 4.15 3.85 -1.26 -4.15 116.55 116.16 3hx5 n ASP 42 Ca -0.03 -0.92 -0.05 0.00 -0.71 0.00 0.00 54.79 53.08 3hx5 n ASP 42 Cb 0.15 0.07 -0.02 0.00 -1.35 0.00 0.00 41.12 39.97 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 -0.59 1.35 -3.65 2.12 0.31 -0.36 -5.07 118.33 112.44 3hx5 n VAL 43 Ca 0.14 0.25 -0.27 0.00 -0.01 0.00 0.00 64.34 64.45 3hx5 n VAL 43 Cb 0.33 -2.01 0.03 0.00 -0.91 0.00 0.00 33.84 31.28 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 -4.01 -2.61 -3.71 3.52 0.00 0.34 -5.00 120.51 109.04 3hx5 n ALA 44 Ca -0.08 -0.24 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 3hx5 n ALA 44 Cb 0.30 -2.82 -0.13 0.00 0.00 0.00 0.00 19.45 16.79 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 -5.84 2.62 0.20 0.00 1.43 -0.33 -4.99 118.68 111.77 3hx5 s LEU 45 Ca 0.30 -2.48 -0.11 0.00 -1.03 0.00 0.00 54.13 50.81 3hx5 s LEU 45 Cb -0.12 -1.01 0.14 0.00 0.03 0.00 0.00 46.19 45.23 3hx5 s LEU 45 CO 0.86 -0.29 1.84 -0.08 0.23 0.00 0.00 176.35 178.91 3hx5 h GLU 46 N 6.93 0.98 -0.49 1.70 4.81 -1.95 0.11 114.58 126.67 3hx5 h GLU 46 Ca -0.02 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3hx5 h GLU 46 Cb 0.94 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 3hx5 h GLU 46 CO 0.47 0.70 0.30 0.78 -0.73 0.00 0.00 179.01 180.53 3hx5 h GLY 47 N 0.98 0.68 0.82 1.92 0.00 -1.96 0.10 103.07 105.62 3hx5 h GLY 47 Ca 0.26 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 3hx5 h GLY 47 CO -0.05 0.20 -0.19 -2.08 0.00 0.00 0.00 176.54 174.43 3hx5 h VAL 48 N 0.60 1.33 -0.45 4.60 2.07 -1.91 -2.02 116.25 120.47 3hx5 h VAL 48 Ca 0.19 -1.35 0.07 0.00 0.82 0.00 0.00 66.70 66.44 3hx5 h VAL 48 Cb -0.01 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 3hx5 h VAL 48 CO -0.08 0.41 0.07 -1.28 0.02 0.00 0.00 177.57 176.72 3hx5 h SER 49 N 0.14 -0.03 -0.70 0.57 0.87 -0.48 -1.79 113.55 112.14 3hx5 h SER 49 Ca 0.03 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3hx5 h SER 49 Cb 0.73 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 3hx5 h SER 49 CO 0.05 0.02 0.29 -0.74 -0.53 0.00 0.00 176.83 175.91 3hx5 h HIS 50 N 0.20 1.06 -0.48 2.24 6.17 -0.77 -1.86 115.15 121.71 3hx5 h HIS 50 Ca 0.22 -0.08 0.06 0.00 0.71 0.00 0.00 60.37 61.28 3hx5 h HIS 50 Cb 0.29 -0.32 -0.05 0.00 2.52 0.00 0.00 27.41 29.85 3hx5 h HIS 50 CO -0.23 0.81 0.19 0.35 0.71 0.00 0.00 177.93 179.76 3hx5 h PHE 51 N 1.00 0.33 -0.24 5.26 3.57 -0.57 -0.06 116.94 126.23 3hx5 h PHE 51 Ca 0.23 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.56 3hx5 h PHE 51 Cb 0.20 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3hx5 h PHE 51 CO 0.01 0.12 -0.64 0.74 -2.23 0.00 0.00 178.31 176.32 3hx5 h PHE 52 N 0.37 1.09 0.00 0.41 0.05 -1.32 -2.37 116.94 115.18 3hx5 h PHE 52 Ca 0.23 -0.43 -0.03 0.00 3.82 0.00 0.00 57.97 61.56 3hx5 h PHE 52 Cb 0.22 -0.19 -0.00 0.00 2.00 0.00 0.00 35.95 37.97 3hx5 h PHE 52 CO -0.15 1.26 -0.12 0.00 -0.18 0.00 0.00 178.31 179.12 3hx5 h ARG 53 N 0.62 0.00 -0.01 1.51 3.08 -0.90 0.65 114.38 119.34 3hx5 h ARG 53 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hx5 h ARG 53 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 3hx5 h ARG 53 CO 0.14 0.12 -0.01 0.93 -1.07 0.00 0.00 179.97 180.08 3hx5 h GLU 54 N 0.00 0.03 -0.73 0.04 5.08 -0.85 -2.93 114.58 115.22 3hx5 h GLU 54 Ca -0.00 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3hx5 h GLU 54 Cb 0.25 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3hx5 h GLU 54 CO 0.02 0.50 0.48 -0.07 -1.00 0.00 0.00 179.01 178.93 3hx5 h LEU 55 N -0.44 0.73 -0.79 1.33 3.38 -0.76 -0.71 115.31 118.05 3hx5 h LEU 55 Ca 0.00 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3hx5 h LEU 55 Cb 0.49 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3hx5 h LEU 55 CO 0.00 0.49 0.50 0.00 0.09 0.00 0.00 178.44 179.52 3hx5 h ALA 56 N 1.59 1.05 -0.04 1.53 0.00 -0.83 -1.05 119.26 121.51 3hx5 h ALA 56 Ca 0.30 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 3hx5 h ALA 56 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hx5 h ALA 56 CO -0.09 0.28 -0.65 1.49 0.00 0.00 0.00 179.25 180.28 3hx5 h GLU 57 N 0.95 0.15 -0.70 0.00 4.57 -1.06 -2.31 114.58 116.18 3hx5 h GLU 57 Ca 0.32 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 58.32 3hx5 h GLU 57 Cb 0.06 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 3hx5 h GLU 57 CO -0.13 0.75 0.16 0.93 -1.18 0.00 0.00 179.01 179.54 3hx5 h GLU 58 N 0.11 1.12 -0.00 1.92 5.08 -0.11 -0.50 114.58 122.19 3hx5 h GLU 58 Ca -0.01 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 3hx5 h GLU 58 Cb 1.17 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 3hx5 h GLU 58 CO 0.10 0.99 -0.65 0.87 -1.00 0.00 0.00 179.01 179.31 3hx5 h LYS 59 N 1.05 0.02 -0.52 2.33 1.79 -1.16 -1.32 116.57 118.76 3hx5 h LYS 59 Ca 0.22 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.60 3hx5 h LYS 59 Cb 0.38 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 3hx5 h LYS 59 CO 0.00 0.66 0.03 -0.09 -1.08 0.00 0.00 179.45 178.98 3hx5 h ARG 60 N 0.01 0.90 -0.52 3.15 2.43 -0.91 -0.61 114.38 118.83 3hx5 h ARG 60 Ca -0.01 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 58.85 3hx5 h ARG 60 Cb 1.16 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 3hx5 h ARG 60 CO 0.09 0.91 0.17 0.93 -1.51 0.00 0.00 179.97 180.56 3hx5 h GLU 61 N 0.78 0.77 0.36 0.20 5.08 -0.85 -2.07 114.58 118.86 3hx5 h GLU 61 Ca 0.15 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3hx5 h GLU 61 Cb 0.48 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3hx5 h GLU 61 CO 0.02 0.67 -0.17 0.78 -1.00 0.00 0.00 179.01 179.30 3hx5 h GLY 62 N 0.92 -0.51 2.00 -3.84 0.00 -0.35 -1.55 103.07 99.74 3hx5 h GLY 62 Ca 0.18 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 3hx5 h GLY 62 CO -0.01 -0.19 -0.09 0.10 0.00 0.00 0.00 176.54 176.35 3hx5 h TYR 63 N -0.62 0.00 -0.10 5.60 -0.00 -1.02 -1.84 116.97 118.99 3hx5 h TYR 63 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.48 3hx5 h TYR 63 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.18 3hx5 h TYR 63 CO -0.02 0.09 -0.76 0.93 -0.00 0.00 0.00 178.16 178.41 3hx5 h GLU 64 N 0.00 0.53 -0.34 0.10 5.08 -1.21 -0.53 114.58 118.21 3hx5 h GLU 64 Ca -0.00 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 57.81 3hx5 h GLU 64 Cb 0.54 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3hx5 h GLU 64 CO 0.01 1.07 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.81 3hx5 h ARG 65 N 0.36 0.74 0.50 2.33 2.43 -0.82 -1.11 114.38 118.80 3hx5 h ARG 65 Ca -0.04 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 58.77 3hx5 h ARG 65 Cb 1.35 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3hx5 h ARG 65 CO 0.14 0.95 -0.24 -0.07 -1.51 0.00 0.00 179.97 179.23 3hx5 h LEU 66 N 0.52 -0.57 -2.02 3.80 3.38 -1.25 0.39 115.31 119.57 3hx5 h LEU 66 Ca 0.07 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3hx5 h LEU 66 Cb 0.74 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3hx5 h LEU 66 CO 0.06 -0.41 0.09 -0.07 0.09 0.00 0.00 178.44 178.20 3hx5 h LEU 67 N -0.67 0.00 -0.06 1.67 3.38 -1.09 0.10 115.31 118.65 3hx5 h LEU 67 Ca -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3hx5 h LEU 67 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hx5 h LEU 67 CO 0.11 0.00 -0.07 0.50 0.09 0.00 0.00 178.44 179.07 3hx5 h LYS 68 N 0.00 0.15 -0.95 1.13 1.63 -0.59 -2.92 116.57 115.03 3hx5 h LYS 68 Ca 0.06 -0.08 0.03 0.00 -0.85 0.00 0.00 60.65 59.81 3hx5 h LYS 68 Cb 0.23 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 3hx5 h LYS 68 CO -0.00 0.62 0.62 1.98 -3.45 0.00 0.00 179.45 179.22 3hx5 h MET 69 N -0.31 1.16 -0.59 1.90 4.05 0.16 -2.00 114.93 119.29 3hx5 h MET 69 Ca 0.01 -0.07 0.06 0.00 -0.28 0.00 0.00 59.70 59.42 3hx5 h MET 69 Cb 0.59 -0.26 -0.05 0.00 -0.80 0.00 0.00 31.60 31.08 3hx5 h MET 69 CO 0.02 0.77 0.30 0.37 0.23 0.00 0.00 176.91 178.59 3hx5 h GLN 70 N 1.20 0.54 -0.05 0.39 5.75 -0.78 -1.67 115.11 120.48 3hx5 h GLN 70 Ca 0.37 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.71 3hx5 h GLN 70 Cb -0.00 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 3hx5 h GLN 70 CO -0.11 0.36 -0.55 -0.91 -2.65 0.00 0.00 178.83 174.96 3hx5 h ASN 71 N 0.55 0.17 0.17 -0.69 4.21 -1.19 -1.41 115.58 117.40 3hx5 h ASN 71 Ca 0.27 -0.09 -0.12 0.00 1.21 0.00 0.00 56.30 57.57 3hx5 h ASN 71 Cb 0.20 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 3hx5 h ASN 71 CO -0.20 0.69 -0.44 1.56 -1.29 0.00 0.00 177.43 177.75 3hx5 h GLN 72 N 0.12 0.34 0.00 0.81 4.20 -0.80 -3.04 115.11 116.74 3hx5 h GLN 72 Ca -0.00 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 3hx5 h GLN 72 Cb 1.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 3hx5 h GLN 72 CO 0.08 0.72 -0.36 0.00 -0.67 0.00 0.00 178.83 178.59 3hx5 h ARG 73 N 0.28 0.00 0.00 1.46 2.47 -1.24 -3.48 114.38 113.87 3hx5 h ARG 73 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3hx5 h ARG 73 Cb 0.89 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 3hx5 h ARG 73 CO 0.07 0.36 0.00 0.41 0.56 0.00 0.00 179.97 181.38 3hx5 n GLY 74 N 1.19 0.88 3.71 0.04 0.00 -1.03 -3.99 105.19 105.99 3hx5 n GLY 74 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.31 1.59 -0.02 -0.02 0.00 -0.56 -4.68 107.32 102.31 3hx5 s GLY 75 Ca 0.00 -0.64 0.08 0.00 0.00 0.00 0.00 44.72 44.15 3hx5 s GLY 75 CO 0.00 0.04 -0.26 0.50 0.00 0.00 0.00 173.10 173.38 3hx5 s ARG 76 N -5.26 2.17 0.04 2.90 1.81 -1.26 -4.37 118.95 114.98 3hx5 s ARG 76 Ca 0.67 -0.92 -0.25 0.00 -1.72 0.00 0.00 55.73 53.50 3hx5 s ARG 76 Cb -0.14 -2.06 -0.05 0.00 -0.45 0.00 0.00 34.95 32.25 3hx5 s ARG 76 CO 0.55 0.54 0.78 0.00 -0.68 0.00 0.00 175.30 176.49 3hx5 s ALA 77 N -0.56 3.36 -0.16 2.13 0.00 -1.26 -4.94 121.76 120.33 3hx5 s ALA 77 Ca 0.08 0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 3hx5 s ALA 77 Cb -0.10 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 20.04 3hx5 s ALA 77 CO -0.00 0.05 -0.03 -0.51 0.00 0.00 0.00 175.76 175.26 3hx5 s LEU 78 N -0.00 1.41 0.11 0.00 1.43 -1.26 -5.14 118.68 115.24 3hx5 s LEU 78 Ca 0.39 -0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 3hx5 s LEU 78 Cb -0.21 -0.81 -0.06 0.00 0.03 0.00 0.00 46.19 45.15 3hx5 s LEU 78 CO 0.23 -0.20 0.44 -0.36 0.23 0.00 0.00 176.35 176.69 3hx5 s PHE 79 N 1.71 3.55 0.23 0.29 0.08 -1.26 -4.88 117.98 117.70 3hx5 s PHE 79 Ca 0.01 0.81 0.07 0.00 0.12 0.00 0.00 56.93 57.94 3hx5 s PHE 79 Cb -0.15 -2.18 -0.05 0.00 -0.57 0.00 0.00 43.02 40.07 3hx5 s PHE 79 CO -0.07 0.47 -0.10 -0.65 -0.10 0.00 0.00 175.22 174.76 3hx5 s GLN 80 N -2.12 1.39 0.47 0.44 -1.52 -1.26 -5.11 119.66 111.95 3hx5 s GLN 80 Ca 0.36 -1.65 -0.23 0.00 -1.95 0.00 0.00 55.36 51.89 3hx5 s GLN 80 Cb -0.13 -1.08 -0.08 0.00 -0.22 0.00 0.00 33.01 31.49 3hx5 s GLN 80 CO 0.19 0.11 1.12 -0.25 -0.25 0.00 0.00 175.29 176.22 3hx5 n ASP 81 N -0.44 1.73 -4.58 5.90 10.43 -1.26 -4.95 116.55 123.39 3hx5 n ASP 81 Ca -0.07 1.00 -0.39 0.00 2.57 0.00 0.00 54.79 57.91 3hx5 n ASP 81 Cb 0.62 -1.43 -0.10 0.00 1.84 0.00 0.00 41.12 42.04 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 -1.30 5.27 0.23 0.53 1.01 -1.26 -5.06 121.20 120.62 3hx5 s ILE 82 Ca 0.66 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 61.18 3hx5 s ILE 82 Cb -0.50 -3.61 -0.10 0.00 0.01 0.00 0.00 42.46 38.27 3hx5 s ILE 82 CO 0.54 0.17 1.38 -0.75 0.00 0.00 0.00 174.94 176.28 3hx5 s LYS 83 N 1.83 4.32 0.95 2.79 2.47 -1.26 -5.00 119.74 125.84 3hx5 s LYS 83 Ca 0.09 2.20 -0.11 0.00 -1.56 0.00 0.00 55.97 56.59 3hx5 s LYS 83 Cb -0.16 -3.14 0.16 0.00 -1.46 0.00 0.00 37.83 33.23 3hx5 s LYS 83 CO 0.11 -0.34 1.12 -1.59 0.16 0.00 0.00 175.35 174.80 3hx5 s LYS 84 N -0.31 0.76 0.72 4.03 -2.85 -1.26 -4.87 119.74 115.96 3hx5 s LYS 84 Ca 0.58 1.34 -0.16 0.00 -1.00 0.00 0.00 55.97 56.74 3hx5 s LYS 84 Cb -0.40 -1.71 0.03 0.00 -2.06 0.00 0.00 37.83 33.69 3hx5 s LYS 84 CO 0.41 -2.74 1.24 -2.14 0.10 0.00 0.00 175.35 172.23 3hx5 s PRO 85 N -4.65 2.16 0.23 1.78 0.02 -1.26 -4.89 135.00 128.38 3hx5 s PRO 85 Ca 0.66 1.88 0.19 0.00 0.02 0.00 0.00 61.00 63.75 3hx5 s PRO 85 Cb -0.22 -1.82 0.90 0.00 0.02 0.00 0.00 34.50 33.38 3hx5 s PRO 85 CO 0.59 -1.85 1.57 0.00 -0.33 0.00 0.00 177.00 176.97 3hx5 n ALA 86 N -2.56 1.28 -2.13 -1.55 0.00 -1.26 -4.77 120.51 109.51 3hx5 n ALA 86 Ca 0.14 0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 3hx5 n ALA 86 Cb 0.49 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 3hx5 n ALA 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hx5 s GLU 87 N -3.35 0.83 -0.07 0.00 0.41 -1.26 -5.03 118.70 110.22 3hx5 s GLU 87 Ca 0.01 -1.37 0.11 0.00 -0.41 0.00 0.00 54.97 53.31 3hx5 s GLU 87 Cb 0.07 0.20 -0.16 0.00 -1.78 0.00 0.00 34.13 32.46 3hx5 s GLU 87 CO 0.24 -0.20 0.13 -0.25 -0.49 0.00 0.00 175.26 174.69 3hx5 n ASP 88 N -0.03 2.31 -3.93 -0.19 8.00 -1.26 -4.95 116.55 116.50 3hx5 n ASP 88 Ca -0.08 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.25 3hx5 n ASP 88 Cb 0.63 1.11 -0.15 0.00 -0.02 0.00 0.00 41.12 42.69 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 -2.51 0.45 -0.26 -1.24 2.02 -1.26 -5.01 118.70 110.89 3hx5 s GLU 89 Ca -0.05 -0.14 0.12 0.00 0.02 0.00 0.00 54.97 54.92 3hx5 s GLU 89 Cb 0.05 -0.46 0.55 0.00 0.10 0.00 0.00 34.13 34.37 3hx5 s GLU 89 CO 0.47 0.06 1.52 0.91 0.02 0.00 0.00 175.26 178.23 3hx5 n TRP 90 N 3.23 1.33 -3.55 1.61 7.02 -1.26 -5.08 117.44 120.74 3hx5 n TRP 90 Ca -0.16 -1.30 0.00 0.00 -1.02 0.00 0.00 57.50 55.02 3hx5 n TRP 90 Cb 0.56 -0.48 0.00 0.00 -2.42 0.00 0.00 31.31 28.97 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 -0.79 2.33 3.93 6.99 0.00 -1.26 -3.60 105.19 112.79 3hx5 n GLY 91 Ca 0.31 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 1.91 0.15 1.61 1.02 -1.26 -4.86 119.74 118.30 3hx5 s LYS 92 Ca 0.00 -0.25 -0.23 0.00 0.02 0.00 0.00 55.97 55.51 3hx5 s LYS 92 Cb 0.00 -2.09 0.02 0.00 -0.52 0.00 0.00 37.83 35.24 3hx5 s LYS 92 CO 0.00 -1.48 1.63 1.15 -0.92 0.00 0.00 175.35 175.73 3hx5 h THR 93 N -0.83 0.40 -0.82 2.17 2.02 -2.00 -1.95 112.91 111.89 3hx5 h THR 93 Ca -0.44 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.81 3hx5 h THR 93 Cb 1.31 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 3hx5 h THR 93 CO 0.57 0.00 0.54 -0.65 0.37 0.00 0.00 175.52 176.35 3hx5 h PRO 94 N -0.26 0.84 -0.24 6.66 0.11 -1.95 -0.39 132.00 136.77 3hx5 h PRO 94 Ca 0.13 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 3hx5 h PRO 94 Cb 0.46 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3hx5 h PRO 94 CO -0.37 0.55 0.11 -0.44 -0.21 0.00 0.00 178.00 177.64 3hx5 h ASP 95 N 0.86 0.33 -0.62 -2.05 3.45 -1.71 -0.28 116.42 116.40 3hx5 h ASP 95 Ca 0.36 -0.14 -0.06 0.00 0.43 0.00 0.00 57.03 57.62 3hx5 h ASP 95 Cb 0.29 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 38.95 3hx5 h ASP 95 CO -0.13 0.38 0.16 0.00 -1.57 0.00 0.00 179.24 178.07 3hx5 h ALA 96 N 0.96 1.06 -0.48 3.45 0.00 -0.86 -0.64 119.26 122.75 3hx5 h ALA 96 Ca 0.08 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3hx5 h ALA 96 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hx5 h ALA 96 CO -0.01 0.62 -0.10 1.98 0.00 0.00 0.00 179.25 181.74 3hx5 h MET 97 N 0.97 0.93 -0.50 0.00 -1.53 -0.83 -1.00 114.93 112.97 3hx5 h MET 97 Ca 0.21 -0.35 -0.06 0.00 -3.44 0.00 0.00 59.70 56.06 3hx5 h MET 97 Cb 0.34 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.31 3hx5 h MET 97 CO -0.00 1.01 0.08 0.87 0.14 0.00 0.00 176.91 179.00 3hx5 h LYS 98 N 0.78 0.83 -0.91 0.39 1.57 -0.82 0.17 116.57 118.58 3hx5 h LYS 98 Ca 0.12 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3hx5 h LYS 98 Cb 0.66 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 3hx5 h LYS 98 CO 0.05 0.83 0.60 0.00 -0.57 0.00 0.00 179.45 180.36 3hx5 h ALA 99 N 0.97 1.16 -0.00 3.86 0.00 -0.95 0.12 119.26 124.42 3hx5 h ALA 99 Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hx5 h ALA 99 Cb 0.40 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hx5 h ALA 99 CO 0.01 0.54 -0.00 0.00 0.00 0.00 0.00 179.25 179.80 3hx5 h ALA 100 N 1.34 0.01 -0.55 0.00 0.00 -0.83 -1.64 119.26 117.58 3hx5 h ALA 100 Ca 0.34 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.17 3hx5 h ALA 100 Cb -0.13 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.56 3hx5 h ALA 100 CO -0.08 -0.30 -0.11 1.98 0.00 0.00 0.00 179.25 180.74 3hx5 h MET 101 N -0.37 0.02 -0.65 0.00 -1.53 -0.28 0.15 114.93 112.27 3hx5 h MET 101 Ca 0.00 -0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 3hx5 h MET 101 Cb 0.38 -0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.40 3hx5 h MET 101 CO 0.00 0.01 0.38 0.00 0.14 0.00 0.00 176.91 177.45 3hx5 h ALA 102 N 1.54 0.83 -0.57 0.39 0.00 -0.93 -1.25 119.26 119.26 3hx5 h ALA 102 Ca 0.27 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3hx5 h ALA 102 Cb 0.42 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3hx5 h ALA 102 CO -0.55 0.31 0.38 1.25 0.00 0.00 0.00 179.25 180.64 3hx5 h LEU 103 N 0.88 0.59 0.00 0.00 5.85 0.17 -1.79 115.31 121.01 3hx5 h LEU 103 Ca 0.23 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3hx5 h LEU 103 Cb -0.01 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3hx5 h LEU 103 CO -0.04 0.42 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.14 3hx5 h GLU 104 N 0.69 -0.00 -0.86 1.25 4.39 0.17 -2.27 114.58 117.95 3hx5 h GLU 104 Ca 0.23 0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.03 3hx5 h GLU 104 Cb 0.05 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.64 3hx5 h GLU 104 CO -0.06 0.50 0.56 0.87 -1.16 0.00 0.00 179.01 179.72 3hx5 h LYS 105 N -0.50 0.78 -0.47 2.33 1.57 -0.96 0.48 116.57 119.81 3hx5 h LYS 105 Ca -0.00 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3hx5 h LYS 105 Cb 0.50 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3hx5 h LYS 105 CO 0.00 0.52 0.08 -0.22 -0.57 0.00 0.00 179.45 179.26 3hx5 h LYS 106 N 0.80 0.77 -0.40 3.15 3.64 -1.29 0.21 116.57 123.44 3hx5 h LYS 106 Ca 0.40 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 3hx5 h LYS 106 Cb 0.47 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3hx5 h LYS 106 CO -0.17 0.78 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.48 3hx5 h LEU 107 N 0.64 0.84 0.12 5.20 3.38 -0.46 -1.06 115.31 123.97 3hx5 h LEU 107 Ca 0.14 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3hx5 h LEU 107 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3hx5 h LEU 107 CO 0.01 1.04 -0.11 -1.13 0.09 0.00 0.00 178.44 178.33 3hx5 h ASN 108 N 0.71 -0.28 -0.12 -0.43 -1.24 0.25 -0.75 115.58 113.72 3hx5 h ASN 108 Ca 0.09 0.03 0.03 0.00 0.71 0.00 0.00 56.30 57.16 3hx5 h ASN 108 Cb 0.76 0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.87 3hx5 h ASN 108 CO 0.06 -0.17 -0.08 -0.61 -1.29 0.00 0.00 177.43 175.35 3hx5 h GLN 109 N -0.25 -0.07 -0.64 6.67 5.75 -0.44 -0.48 115.11 125.64 3hx5 h GLN 109 Ca 0.00 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 3hx5 h GLN 109 Cb 0.23 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 3hx5 h GLN 109 CO -0.02 -0.05 0.43 0.00 -2.65 0.00 0.00 178.83 176.54 3hx5 h ALA 110 N 1.03 1.81 0.04 3.38 0.00 -0.89 -0.69 119.26 123.94 3hx5 h ALA 110 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hx5 h ALA 110 Cb 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hx5 h ALA 110 CO -0.17 0.08 -0.02 -0.07 0.00 0.00 0.00 179.25 179.07 3hx5 h LEU 111 N 0.61 -0.05 -0.58 0.00 3.38 -0.04 -1.74 115.31 116.90 3hx5 h LEU 111 Ca 0.28 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3hx5 h LEU 111 Cb 0.32 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 3hx5 h LEU 111 CO -0.09 0.25 0.28 -0.07 0.09 0.00 0.00 178.44 178.90 3hx5 h LEU 112 N -0.34 0.37 -0.89 1.67 3.38 -0.24 0.11 115.31 119.37 3hx5 h LEU 112 Ca -0.01 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hx5 h LEU 112 Cb 0.31 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3hx5 h LEU 112 CO 0.01 0.24 0.58 0.44 0.09 0.00 0.00 178.44 179.81 3hx5 h ASP 113 N 0.52 1.03 0.50 -0.43 3.45 -1.10 -0.36 116.42 120.02 3hx5 h ASP 113 Ca 0.27 -0.03 -0.06 0.00 0.43 0.00 0.00 57.03 57.64 3hx5 h ASP 113 Cb 0.23 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 3hx5 h ASP 113 CO -0.21 0.75 -0.29 0.25 -1.57 0.00 0.00 179.24 178.17 3hx5 h LEU 114 N 1.21 0.00 -0.02 1.55 5.85 -0.29 -0.98 115.31 122.64 3hx5 h LEU 114 Ca 0.33 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 3hx5 h LEU 114 Cb -0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3hx5 h LEU 114 CO -0.07 0.29 -0.11 -0.74 -0.34 0.00 0.00 178.44 177.47 3hx5 h HIS 115 N 0.00 0.15 -0.90 1.25 2.76 0.41 -2.24 115.15 116.58 3hx5 h HIS 115 Ca -0.00 -0.07 0.02 0.00 -2.20 0.00 0.00 60.37 58.12 3hx5 h HIS 115 Cb 0.62 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.51 3hx5 h HIS 115 CO 0.00 0.77 0.59 0.00 -1.30 0.00 0.00 177.93 177.99 3hx5 h ALA 116 N 0.35 1.16 -0.47 5.26 0.00 -1.02 0.52 119.26 125.06 3hx5 h ALA 116 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hx5 h ALA 116 Cb 0.78 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3hx5 h ALA 116 CO 0.02 0.51 0.25 1.25 0.00 0.00 0.00 179.25 181.28 3hx5 h LEU 117 N 1.19 0.57 -0.37 0.00 5.85 -1.20 0.25 115.31 121.61 3hx5 h LEU 117 Ca 0.34 -0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.85 3hx5 h LEU 117 Cb -0.09 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 3hx5 h LEU 117 CO -0.09 0.47 -0.47 1.23 -0.34 0.00 0.00 178.44 179.24 3hx5 h GLY 118 N 0.73 0.96 1.92 3.75 0.00 -0.40 -2.42 103.07 107.61 3hx5 h GLY 118 Ca 0.17 -1.05 -0.10 0.00 0.00 0.00 0.00 47.33 46.34 3hx5 h GLY 118 CO -0.03 0.95 -0.46 1.76 0.00 0.00 0.00 176.54 178.76 3hx5 h SER 119 N 0.69 0.09 -0.38 0.19 0.02 -0.23 0.15 113.55 114.09 3hx5 h SER 119 Ca 0.04 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 3hx5 h SER 119 Cb 1.07 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 3hx5 h SER 119 CO 0.11 0.54 -0.15 0.00 -1.14 0.00 0.00 176.83 176.19 3hx5 h ALA 120 N 1.46 0.53 -0.37 3.77 0.00 -0.82 -2.74 119.26 121.09 3hx5 h ALA 120 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hx5 h ALA 120 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hx5 h ALA 120 CO 0.06 0.45 0.00 0.54 0.00 0.00 0.00 179.25 180.30 3hx5 n ARG 121 N -4.30 2.26 -3.73 0.00 5.12 -0.93 -4.94 116.66 110.13 3hx5 n ARG 121 Ca -0.02 -1.51 -0.27 0.00 -1.93 0.00 0.00 57.85 54.13 3hx5 n ARG 121 Cb 0.40 -1.48 0.01 0.00 -1.16 0.00 0.00 32.46 30.22 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 0.57 -4.57 -3.87 0.55 -2.24 -0.78 -4.95 114.28 98.99 3hx5 n THR 122 Ca 0.14 -0.32 -0.31 0.00 -2.27 0.00 0.00 64.05 61.29 3hx5 n THR 122 Cb 0.46 -3.59 -0.12 0.00 -2.10 0.00 0.00 70.33 64.98 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 -3.18 4.79 0.47 3.42 -1.08 0.46 -4.96 116.67 116.60 3hx5 s ASP 123 Ca 0.18 -3.38 0.17 0.00 -0.52 0.00 0.00 52.55 49.00 3hx5 s ASP 123 Cb -0.08 -1.70 1.14 0.00 -1.46 0.00 0.00 42.92 40.82 3hx5 s ASP 123 CO 0.89 -0.19 2.03 1.55 0.52 0.00 0.00 175.17 179.97 3hx5 h PRO 124 N 6.11 0.00 0.12 4.34 0.13 -1.92 -2.94 132.00 137.83 3hx5 h PRO 124 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 3hx5 h PRO 124 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3hx5 h PRO 124 CO 0.72 0.15 -0.06 1.25 -0.23 0.00 0.00 178.00 179.83 3hx5 h HIS 125 N 0.00 -0.15 -0.72 1.56 2.76 -1.97 -2.12 115.15 114.51 3hx5 h HIS 125 Ca -0.00 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 3hx5 h HIS 125 Cb 0.28 0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.25 3hx5 h HIS 125 CO 0.00 0.18 0.47 1.25 -1.30 0.00 0.00 177.93 178.53 3hx5 h LEU 126 N -0.50 0.69 -0.51 0.26 5.85 -1.95 0.52 115.31 119.66 3hx5 h LEU 126 Ca -0.02 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3hx5 h LEU 126 Cb 0.40 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3hx5 h LEU 126 CO 0.03 0.46 -0.09 0.00 -0.34 0.00 0.00 178.44 178.49 3hx5 h ASP 128 N 0.83 0.08 -0.63 0.00 3.58 -0.83 -1.63 116.42 117.82 3hx5 h ASP 128 Ca 0.13 -0.40 0.12 0.00 0.42 0.00 0.00 57.03 57.30 3hx5 h ASP 128 Cb 0.65 -0.02 -0.09 0.00 1.72 0.00 0.00 39.33 41.58 3hx5 h ASP 128 CO 0.04 0.46 0.11 0.15 -2.88 0.00 0.00 179.24 177.13 3hx5 h PHE 129 N -0.30 0.17 -0.13 0.28 3.04 -0.86 0.12 116.94 119.26 3hx5 h PHE 129 Ca 0.01 0.04 -0.16 0.00 3.98 0.00 0.00 57.97 61.84 3hx5 h PHE 129 Cb 0.43 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.95 3hx5 h PHE 129 CO 0.06 -0.06 -0.60 -0.07 -2.02 0.00 0.00 178.31 175.62 3hx5 h LEU 130 N 0.24 0.49 -0.21 0.59 3.38 -1.26 -2.44 115.31 116.08 3hx5 h LEU 130 Ca 0.33 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hx5 h LEU 130 Cb 0.52 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3hx5 h LEU 130 CO -0.44 0.97 0.01 -0.33 0.09 0.00 0.00 178.44 178.74 3hx5 h GLU 131 N 0.32 0.37 0.42 1.13 5.08 -0.27 0.28 114.58 121.90 3hx5 h GLU 131 Ca -0.00 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3hx5 h GLU 131 Cb 1.13 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3hx5 h GLU 131 CO 0.10 0.55 -0.20 1.15 -1.00 0.00 0.00 179.01 179.61 3hx5 h THR 132 N 0.14 0.37 -0.01 1.13 2.02 -0.84 -3.36 112.91 112.36 3hx5 h THR 132 Ca 0.06 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3hx5 h THR 132 Cb 0.37 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3hx5 h THR 132 CO 0.01 0.07 -0.37 1.41 0.37 0.00 0.00 175.52 177.01 3hx5 n HIS 133 N -5.17 0.00 0.06 3.16 8.25 -0.92 -4.76 115.22 115.83 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 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.67 -0.75 -0.18 4.41 3.72 -0.56 -4.77 117.46 118.66 3hx5 n PHE 134 Ca 0.10 0.13 -0.01 0.00 -0.05 0.00 0.00 57.45 57.63 3hx5 n PHE 134 Cb 0.37 0.25 0.08 0.00 -0.94 0.00 0.00 39.48 39.24 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 -0.23 -0.53 4.37 3.38 -1.13 -1.95 115.31 119.22 3hx5 h LEU 135 Ca 0.00 0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 3hx5 h LEU 135 Cb 0.20 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3hx5 h LEU 135 CO 0.00 -0.09 -0.16 -0.78 0.09 0.00 0.00 178.44 177.50 3hx5 h ASP 136 N 0.12 1.04 -0.26 -0.43 -0.00 -1.84 -2.71 116.42 112.34 3hx5 h ASP 136 Ca 0.28 -0.37 0.06 0.00 -0.00 0.00 0.00 57.03 57.00 3hx5 h ASP 136 Cb 0.44 -0.28 -0.05 0.00 -0.00 0.00 0.00 39.33 39.43 3hx5 h ASP 136 CO -0.46 1.17 -0.10 -0.33 -0.00 0.00 0.00 179.24 179.52 3hx5 h GLU 137 N 0.89 -0.05 -0.47 0.28 4.39 -1.71 -0.95 114.58 116.97 3hx5 h GLU 137 Ca 0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 3hx5 h GLU 137 Cb 0.74 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 3hx5 h GLU 137 CO 0.06 -0.03 0.26 0.93 -1.16 0.00 0.00 179.01 179.07 3hx5 h GLU 138 N -0.05 0.65 -0.58 2.33 4.39 -1.30 -0.33 114.58 119.69 3hx5 h GLU 138 Ca 0.13 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3hx5 h GLU 138 Cb 0.25 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3hx5 h GLU 138 CO -0.29 0.50 0.29 0.28 -1.16 0.00 0.00 179.01 178.63 3hx5 h VAL 139 N 0.62 1.20 -0.53 3.13 2.07 -1.16 0.70 116.25 122.28 3hx5 h VAL 139 Ca 0.17 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3hx5 h VAL 139 Cb 0.04 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3hx5 h VAL 139 CO -0.03 0.23 0.23 0.11 0.02 0.00 0.00 177.57 178.13 3hx5 h LYS 140 N 0.79 0.77 -0.22 1.57 1.57 -0.98 -1.72 116.57 118.35 3hx5 h LYS 140 Ca 0.20 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3hx5 h LYS 140 Cb 0.09 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3hx5 h LYS 140 CO -0.03 0.66 0.08 1.25 -0.57 0.00 0.00 179.45 180.84 3hx5 h LEU 141 N 0.71 0.31 -1.01 2.94 5.85 -0.71 -1.94 115.31 121.45 3hx5 h LEU 141 Ca 0.18 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3hx5 h LEU 141 Cb 0.16 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3hx5 h LEU 141 CO -0.02 0.40 0.26 0.40 -0.34 0.00 0.00 178.44 179.15 3hx5 h ILE 142 N 0.20 1.23 -0.31 4.05 2.04 -0.76 -0.91 117.51 123.04 3hx5 h ILE 142 Ca 0.07 -0.73 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 3hx5 h ILE 142 Cb 0.19 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3hx5 h ILE 142 CO -0.00 0.29 -0.20 0.50 0.00 0.00 0.00 178.15 178.73 3hx5 h LYS 143 N 0.96 0.57 -0.26 2.37 1.63 -1.22 -0.79 116.57 119.84 3hx5 h LYS 143 Ca 0.22 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 3hx5 h LYS 143 Cb 0.19 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 3hx5 h LYS 143 CO -0.02 0.74 0.05 -0.22 -3.45 0.00 0.00 179.45 176.55 3hx5 h LYS 144 N 0.51 0.42 -0.64 1.90 3.64 -0.53 -1.96 116.57 119.91 3hx5 h LYS 144 Ca 0.08 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 3hx5 h LYS 144 Cb 0.63 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3hx5 h LYS 144 CO 0.04 0.54 0.08 0.52 -2.27 0.00 0.00 179.45 178.37 3hx5 h MET 145 N 0.24 1.08 -0.82 1.90 2.86 -1.01 -1.85 114.93 117.32 3hx5 h MET 145 Ca 0.08 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.47 3hx5 h MET 145 Cb 0.32 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 3hx5 h MET 145 CO 0.00 1.01 0.51 0.78 1.06 0.00 0.00 176.91 180.27 3hx5 h GLY 146 N 0.99 1.22 1.00 8.32 0.00 -0.98 0.26 103.07 113.89 3hx5 h GLY 146 Ca 0.19 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3hx5 h GLY 146 CO 0.02 0.28 0.24 -0.55 0.00 0.00 0.00 176.54 176.52 3hx5 h ASP 147 N 0.96 0.86 -0.26 0.19 3.32 -0.94 -0.75 116.42 119.80 3hx5 h ASP 147 Ca 0.35 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3hx5 h ASP 147 Cb 0.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3hx5 h ASP 147 CO -0.15 0.80 0.11 0.45 -1.72 0.00 0.00 179.24 178.73 3hx5 h HIS 148 N 0.86 0.38 -0.65 4.55 3.86 -0.52 -1.48 115.15 122.15 3hx5 h HIS 148 Ca 0.20 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.44 3hx5 h HIS 148 Cb 0.22 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.53 3hx5 h HIS 148 CO 0.01 0.38 0.38 -0.07 0.86 0.00 0.00 177.93 179.49 3hx5 h LEU 149 N 0.27 0.59 -0.99 2.43 3.38 -0.71 0.58 115.31 120.85 3hx5 h LEU 149 Ca 0.09 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3hx5 h LEU 149 Cb 0.16 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hx5 h LEU 149 CO -0.01 0.39 0.08 0.74 0.09 0.00 0.00 178.44 179.74 3hx5 h THR 150 N 0.72 1.23 -0.02 0.22 2.02 -0.94 -1.21 112.91 114.94 3hx5 h THR 150 Ca 0.28 -0.88 -0.22 0.00 0.77 0.00 0.00 66.41 66.36 3hx5 h THR 150 Cb 0.12 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3hx5 h THR 150 CO -0.15 0.32 -0.91 0.78 0.37 0.00 0.00 175.52 175.94 3hx5 h ASN 151 N 0.77 0.54 -0.32 4.18 2.35 -0.24 -2.46 115.58 120.41 3hx5 h ASN 151 Ca 0.16 -0.42 -0.04 0.00 -0.55 0.00 0.00 56.30 55.45 3hx5 h ASN 151 Cb 0.35 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3hx5 h ASN 151 CO 0.01 1.21 0.03 -0.07 -1.65 0.00 0.00 177.43 176.96 3hx5 h LEU 152 N 0.25 0.52 -1.37 1.61 3.38 0.38 -2.00 115.31 118.08 3hx5 h LEU 152 Ca -0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 3hx5 h LEU 152 Cb 1.53 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 3hx5 h LEU 152 CO 0.16 0.67 -0.01 -0.74 0.09 0.00 0.00 178.44 178.61 3hx5 h HIS 153 N 0.35 0.41 0.00 1.13 2.76 -1.28 -2.24 115.15 116.29 3hx5 h HIS 153 Ca 0.09 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 3hx5 h HIS 153 Cb 0.38 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3hx5 h HIS 153 CO 0.03 0.43 -0.39 -0.09 -1.30 0.00 0.00 177.93 176.61 3hx5 h ARG 154 N 0.39 0.00 -1.23 5.26 2.43 -1.04 -3.21 114.38 116.99 3hx5 h ARG 154 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3hx5 h ARG 154 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3hx5 h ARG 154 CO 0.01 0.39 0.00 1.28 -1.51 0.00 0.00 179.97 180.14 3hx5 n LEU 155 N -4.03 1.93 -0.01 3.80 4.77 -0.79 -3.82 117.00 118.85 3hx5 n LEU 155 Ca -0.02 -0.96 -0.01 0.00 -0.03 0.00 0.00 56.01 54.99 3hx5 n LEU 155 Cb 0.43 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3hx5 n LEU 155 CO 0.39 0.33 -0.08 0.61 -1.33 0.00 0.00 177.39 177.31 3hx5 n GLY 156 N 0.59 -0.27 0.00 -0.72 0.00 -1.21 -4.92 105.19 98.65 3hx5 n GLY 156 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 2.25 0.82 0.37 -0.02 0.00 -1.25 -4.85 105.19 102.51 3hx5 n GLY 157 Ca -0.02 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 0.95 -1.00 1.61 0.13 -1.99 -2.89 132.00 128.82 3hx5 h PRO 158 Ca 0.00 -0.06 -0.18 0.00 -0.87 0.00 0.00 66.00 64.90 3hx5 h PRO 158 Cb 0.00 -0.21 -0.11 0.00 0.13 0.00 0.00 31.00 30.81 3hx5 h PRO 158 CO 0.00 0.63 0.22 0.39 -0.23 0.00 0.00 178.00 179.01 3hx5 n GLU 159 N -4.56 1.46 0.00 0.86 1.02 -1.26 -5.16 120.64 113.00 3hx5 n GLU 159 Ca 0.17 -1.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.26 3hx5 n GLU 159 Cb 0.31 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3hx5 n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31