#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz3 h GLN 3 N 0.00 0.00 0.00 -1.46 3.07 -2.00 -2.88 115.11 111.84 1xz3 h GLN 3 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1xz3 h GLN 3 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1xz3 h GLN 3 CO 0.00 0.01 -1.54 0.44 0.09 0.00 0.00 178.83 177.83 1xz3 n ILE 4 N -3.67 0.02 -1.85 1.86 -5.35 -1.26 -4.99 119.36 104.12 1xz3 n ILE 4 Ca -0.03 -0.29 -0.42 0.00 -0.27 0.00 0.00 62.75 61.74 1xz3 n ILE 4 Cb 0.10 0.40 -0.03 0.00 -1.74 0.00 0.00 39.64 38.36 1xz3 n ILE 4 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1xz3 s ARG 5 N -3.30 4.18 -0.18 6.28 3.52 -1.09 -4.86 118.95 123.49 1xz3 s ARG 5 Ca -0.01 2.44 -0.07 0.00 -0.13 0.00 0.00 55.73 57.96 1xz3 s ARG 5 Cb 0.15 -3.39 0.08 0.00 -1.56 0.00 0.00 34.95 30.23 1xz3 s ARG 5 CO 0.89 -0.72 0.40 -1.14 -0.81 0.00 0.00 175.30 173.91 1xz3 s GLN 6 N 2.00 0.31 -1.39 5.12 0.74 -1.26 -4.91 119.66 120.27 1xz3 s GLN 6 Ca 0.74 0.96 -0.01 0.00 0.05 0.00 0.00 55.36 57.10 1xz3 s GLN 6 Cb -0.44 0.23 0.00 0.00 1.10 0.00 0.00 33.01 33.90 1xz3 s GLN 6 CO 0.33 -0.24 0.19 -1.71 -0.55 0.00 0.00 175.29 173.31 1xz3 n ASN 7 N 5.21 -5.13 -4.01 6.67 4.05 -1.26 -4.98 115.26 115.82 1xz3 n ASN 7 Ca -0.10 -0.10 -0.31 0.00 0.45 0.00 0.00 54.58 54.52 1xz3 n ASN 7 Cb 0.50 -4.13 -0.15 0.00 1.23 0.00 0.00 39.78 37.24 1xz3 n ASN 7 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1xz3 s TYR 8 N -2.93 3.53 0.62 1.20 5.04 -1.26 -4.82 117.35 118.73 1xz3 s TYR 8 Ca 0.09 -2.80 -0.16 0.00 -2.44 0.00 0.00 57.07 51.77 1xz3 s TYR 8 Cb -0.04 -2.67 -0.02 0.00 0.35 0.00 0.00 41.96 39.58 1xz3 s TYR 8 CO 0.12 -0.93 1.09 -1.54 -1.34 0.00 0.00 175.55 172.95 1xz3 s SER 9 N 0.99 5.43 0.49 4.32 1.04 -1.26 -4.90 113.70 119.81 1xz3 s SER 9 Ca 0.08 1.95 0.22 0.00 0.48 0.00 0.00 55.95 58.67 1xz3 s SER 9 Cb -0.19 -2.55 1.27 0.00 0.10 0.00 0.00 66.02 64.66 1xz3 s SER 9 CO -0.09 -1.41 2.05 0.71 0.98 0.00 0.00 173.24 175.48 1xz3 h THR 10 N 0.32 0.82 -0.26 2.02 1.35 -1.99 -1.99 112.91 113.18 1xz3 h THR 10 Ca -0.47 -0.55 -0.06 0.00 -0.55 0.00 0.00 66.41 64.77 1xz3 h THR 10 Cb 1.24 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 1xz3 h THR 10 CO 0.56 0.14 -0.09 -0.33 -0.25 0.00 0.00 175.52 175.55 1xz3 h GLU 11 N 0.00 0.52 -0.22 4.72 3.07 -1.99 -1.50 114.58 119.17 1xz3 h GLU 11 Ca -0.00 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.61 1xz3 h GLU 11 Cb 0.31 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1xz3 h GLU 11 CO 0.02 0.75 0.01 0.28 -1.40 0.00 0.00 179.01 178.67 1xz3 h VAL 12 N 0.26 1.25 -0.60 3.13 2.07 -1.91 -1.25 116.25 119.20 1xz3 h VAL 12 Ca 0.06 -0.85 0.11 0.00 0.82 0.00 0.00 66.70 66.84 1xz3 h VAL 12 Cb 0.58 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 1xz3 h VAL 12 CO 0.03 0.26 0.14 -0.08 0.02 0.00 0.00 177.57 177.95 1xz3 h GLU 13 N 0.16 0.27 -0.50 1.57 4.81 -1.32 0.26 114.58 119.82 1xz3 h GLU 13 Ca 0.06 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 1xz3 h GLU 13 Cb 0.38 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1xz3 h GLU 13 CO 0.01 0.18 -0.08 0.00 -0.73 0.00 0.00 179.01 178.39 1xz3 h ALA 14 N 1.47 0.68 -0.13 2.92 0.00 -1.15 -2.11 119.26 120.93 1xz3 h ALA 14 Ca 0.31 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1xz3 h ALA 14 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xz3 h ALA 14 CO -0.39 0.56 -0.38 0.00 0.00 0.00 0.00 179.25 179.04 1xz3 h ALA 15 N 0.91 1.11 -0.54 0.00 0.00 -0.43 -1.99 119.26 118.31 1xz3 h ALA 15 Ca 0.13 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1xz3 h ALA 15 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1xz3 h ALA 15 CO 0.04 0.58 0.16 0.28 0.00 0.00 0.00 179.25 180.31 1xz3 h VAL 16 N 0.24 1.24 -0.85 0.00 2.07 -0.30 -1.08 116.25 117.58 1xz3 h VAL 16 Ca 0.03 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1xz3 h VAL 16 Cb 0.79 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1xz3 h VAL 16 CO 0.06 0.30 0.52 0.78 0.02 0.00 0.00 177.57 179.25 1xz3 h ASN 17 N 0.76 1.02 0.27 0.57 2.35 -1.00 -0.58 115.58 118.97 1xz3 h ASN 17 Ca 0.17 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 1xz3 h ASN 17 Cb 0.29 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1xz3 h ASN 17 CO -0.00 0.78 -0.35 0.03 -1.65 0.00 0.00 177.43 176.24 1xz3 h ARG 18 N 1.18 0.12 -0.01 0.81 3.08 -1.09 -2.45 114.38 116.01 1xz3 h ARG 18 Ca 0.31 -0.05 -0.22 0.00 0.07 0.00 0.00 59.98 60.09 1xz3 h ARG 18 Cb -0.05 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1xz3 h ARG 18 CO -0.06 0.46 -0.90 1.25 -1.07 0.00 0.00 179.97 179.65 1xz3 h LEU 19 N 0.11 0.50 -0.46 3.04 5.85 -0.71 -2.30 115.31 121.34 1xz3 h LEU 19 Ca 0.01 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1xz3 h LEU 19 Cb 0.67 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1xz3 h LEU 19 CO 0.05 1.18 0.31 0.58 -0.34 0.00 0.00 178.44 180.22 1xz3 h VAL 20 N 0.23 1.12 -0.82 1.05 2.07 -0.90 -0.05 116.25 118.95 1xz3 h VAL 20 Ca -0.07 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1xz3 h VAL 20 Cb 1.52 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1xz3 h VAL 20 CO 0.15 0.12 0.48 -1.13 0.02 0.00 0.00 177.57 177.21 1xz3 h ASN 21 N 0.63 1.00 -0.39 0.57 -0.73 -1.46 -0.24 115.58 114.96 1xz3 h ASN 21 Ca 0.17 -0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.26 1xz3 h ASN 21 Cb -0.07 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.25 1xz3 h ASN 21 CO -0.04 0.79 0.22 -0.07 -0.37 0.00 0.00 177.43 177.96 1xz3 h LEU 22 N 1.13 0.48 -0.70 0.34 4.07 -1.03 -0.22 115.31 119.39 1xz3 h LEU 22 Ca 0.29 -0.08 -0.10 0.00 0.08 0.00 0.00 57.88 58.07 1xz3 h LEU 22 Cb -0.02 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 1xz3 h LEU 22 CO -0.05 0.42 -0.08 1.88 -1.08 0.00 0.00 178.44 179.53 1xz3 h TYR 23 N 0.50 1.02 -0.49 1.13 0.05 -0.66 -0.75 116.97 117.77 1xz3 h TYR 23 Ca 0.14 -0.19 -0.11 0.00 0.05 0.00 0.00 58.73 58.62 1xz3 h TYR 23 Cb 0.04 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 1xz3 h TYR 23 CO -0.03 0.95 -0.12 -0.07 -1.05 0.00 0.00 178.16 177.85 1xz3 h LEU 24 N 0.83 0.96 -0.85 3.88 3.38 -0.87 -0.22 115.31 122.43 1xz3 h LEU 24 Ca 0.14 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1xz3 h LEU 24 Cb 0.61 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1xz3 h LEU 24 CO 0.04 1.10 0.56 0.03 0.09 0.00 0.00 178.44 180.26 1xz3 h ARG 25 N 0.81 1.10 -0.57 1.13 3.08 -0.90 -1.51 114.38 117.52 1xz3 h ARG 25 Ca 0.13 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1xz3 h ARG 25 Cb 0.67 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1xz3 h ARG 25 CO 0.05 0.73 0.05 0.00 -1.07 0.00 0.00 179.97 179.72 1xz3 h ALA 26 N 1.33 0.76 -0.84 0.04 0.00 -0.88 -0.93 119.26 118.74 1xz3 h ALA 26 Ca 0.32 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1xz3 h ALA 26 Cb -0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 1xz3 h ALA 26 CO -0.08 0.55 0.54 1.03 0.00 0.00 0.00 179.25 181.29 1xz3 h SER 27 N 0.87 0.90 -0.50 0.00 0.87 -0.62 -1.44 113.55 113.62 1xz3 h SER 27 Ca 0.17 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.60 1xz3 h SER 27 Cb 0.48 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1xz3 h SER 27 CO 0.02 0.62 -0.16 0.22 -0.53 0.00 0.00 176.83 176.99 1xz3 h TYR 28 N 1.05 1.12 -0.72 2.24 3.20 -1.03 -1.02 116.97 121.81 1xz3 h TYR 28 Ca 0.34 -0.26 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1xz3 h TYR 28 Cb 0.01 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 1xz3 h TYR 28 CO -0.02 1.07 0.45 1.15 -1.64 0.00 0.00 178.16 179.17 1xz3 h THR 29 N 0.85 1.20 -0.07 1.81 2.02 -0.67 -1.93 112.91 116.13 1xz3 h THR 29 Ca 0.12 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.74 1xz3 h THR 29 Cb 0.74 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1xz3 h THR 29 CO 0.06 0.20 -0.58 1.88 0.37 0.00 0.00 175.52 177.46 1xz3 h TYR 30 N 0.99 0.26 -0.45 3.16 0.05 -1.01 -0.39 116.97 119.58 1xz3 h TYR 30 Ca 0.26 -0.10 0.02 0.00 0.05 0.00 0.00 58.73 58.97 1xz3 h TYR 30 Cb -0.06 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 1xz3 h TYR 30 CO -0.01 0.73 0.26 1.25 -1.05 0.00 0.00 178.16 179.34 1xz3 h LEU 31 N 0.16 0.42 -0.49 3.88 5.85 -0.92 -0.18 115.31 124.04 1xz3 h LEU 31 Ca -0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1xz3 h LEU 31 Cb 1.06 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1xz3 h LEU 31 CO 0.09 0.30 -0.04 -1.28 -0.34 0.00 0.00 178.44 177.17 1xz3 h SER 32 N 0.53 0.88 0.02 1.25 0.87 -0.90 -1.95 113.55 114.24 1xz3 h SER 32 Ca 0.18 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1xz3 h SER 32 Cb 0.02 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1xz3 h SER 32 CO -0.08 1.00 -0.01 -0.07 -0.53 0.00 0.00 176.83 177.14 1xz3 h LEU 33 N 0.74 -0.02 -0.02 2.23 3.38 -0.97 -1.16 115.31 119.50 1xz3 h LEU 33 Ca 0.13 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1xz3 h LEU 33 Cb 0.57 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1xz3 h LEU 33 CO 0.03 -0.01 -0.15 1.23 0.09 0.00 0.00 178.44 179.63 1xz3 h GLY 34 N -0.02 -0.17 2.00 0.83 0.00 -0.93 -2.63 103.07 102.16 1xz3 h GLY 34 Ca -0.00 0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 1xz3 h GLY 34 CO 0.00 -0.14 -0.28 0.74 0.00 0.00 0.00 176.54 176.86 1xz3 h PHE 35 N -0.23 0.00 -0.73 5.60 0.04 -1.31 -2.35 116.94 117.96 1xz3 h PHE 35 Ca 0.06 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 1xz3 h PHE 35 Cb 0.31 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 1xz3 h PHE 35 CO -0.21 0.28 0.45 -0.92 -0.60 0.00 0.00 178.31 177.31 1xz3 h TYR 36 N 0.00 0.95 0.00 -0.55 3.20 -0.86 -2.67 116.97 117.04 1xz3 h TYR 36 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xz3 h TYR 36 Cb 0.65 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1xz3 h TYR 36 CO 0.00 0.63 0.00 1.19 -1.64 0.00 0.00 178.16 178.34 1xz3 n PHE 37 N -4.53 0.00 1.08 -3.82 3.72 -0.91 -2.03 117.46 110.97 1xz3 n PHE 37 Ca 0.07 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.60 1xz3 n PHE 37 Cb 0.05 -0.49 0.42 0.00 -0.94 0.00 0.00 39.48 38.52 1xz3 n PHE 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xz3 n ASP 38 N -1.49 0.39 -4.73 4.37 2.03 -1.02 -1.53 116.55 114.57 1xz3 n ASP 38 Ca 0.06 -0.13 -0.41 0.00 0.52 0.00 0.00 54.79 54.84 1xz3 n ASP 38 Cb 0.27 -0.03 0.01 0.00 -0.72 0.00 0.00 41.12 40.65 1xz3 n ASP 38 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1xz3 n ARG 39 N -1.36 2.08 0.28 -0.67 1.74 -0.86 -4.71 116.66 113.16 1xz3 n ARG 39 Ca 0.08 0.74 0.13 0.00 -0.77 0.00 0.00 57.85 58.03 1xz3 n ARG 39 Cb 0.33 -2.49 0.81 0.00 -1.02 0.00 0.00 32.46 30.09 1xz3 n ARG 39 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 1xz3 h ASP 40 N 2.20 0.00 -0.54 0.55 2.03 -1.91 0.19 116.42 118.93 1xz3 h ASP 40 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1xz3 h ASP 40 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1xz3 h ASP 40 CO 0.60 0.04 0.00 -0.90 -1.03 0.00 0.00 179.24 177.95 1xz3 n ASP 41 N -3.95 2.96 0.07 4.15 5.75 -1.26 -4.45 116.55 119.82 1xz3 n ASP 41 Ca -0.03 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 1xz3 n ASP 41 Cb 0.12 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1xz3 n ASP 41 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1xz3 n VAL 42 N 1.07 0.83 -3.39 2.12 0.31 -0.61 -5.09 118.33 113.57 1xz3 n VAL 42 Ca 0.18 0.27 -0.19 0.00 -0.01 0.00 0.00 64.34 64.60 1xz3 n VAL 42 Cb 0.47 -1.26 0.07 0.00 -0.91 0.00 0.00 33.84 32.21 1xz3 n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xz3 n ALA 43 N -3.38 -2.39 -3.84 3.52 0.00 0.58 -4.97 120.51 110.03 1xz3 n ALA 43 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 1xz3 n ALA 43 Cb 0.00 -4.68 -0.13 0.00 0.00 0.00 0.00 19.45 14.64 1xz3 n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xz3 s LEU 44 N -5.84 3.64 0.24 0.00 1.43 -0.58 -5.00 118.68 112.57 1xz3 s LEU 44 Ca 0.35 -2.94 -0.07 0.00 -1.03 0.00 0.00 54.13 50.44 1xz3 s LEU 44 Cb -0.07 -1.37 0.23 0.00 0.03 0.00 0.00 46.19 45.02 1xz3 s LEU 44 CO 0.77 -0.23 1.92 -0.08 0.23 0.00 0.00 176.35 178.95 1xz3 h GLU 45 N 6.46 1.24 -0.19 1.70 4.81 -1.94 -1.96 114.58 124.70 1xz3 h GLU 45 Ca -0.02 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1xz3 h GLU 45 Cb 0.89 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1xz3 h GLU 45 CO 0.60 0.82 -0.18 0.78 -0.73 0.00 0.00 179.01 180.30 1xz3 h GLY 46 N 1.27 0.34 0.96 1.92 0.00 -1.86 -0.82 103.07 104.89 1xz3 h GLY 46 Ca 0.34 -0.24 -0.16 0.00 0.00 0.00 0.00 47.33 47.28 1xz3 h GLY 46 CO -0.08 0.22 -0.52 -2.08 0.00 0.00 0.00 176.54 174.09 1xz3 h VAL 47 N 0.29 1.33 -0.46 4.60 2.07 -1.72 -1.91 116.25 120.46 1xz3 h VAL 47 Ca 0.05 -1.78 0.05 0.00 0.82 0.00 0.00 66.70 65.84 1xz3 h VAL 47 Cb 0.50 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 1xz3 h VAL 47 CO 0.03 0.55 0.19 0.00 0.02 0.00 0.00 177.57 178.36 1xz3 h HIS 49 N 0.38 1.17 -0.45 0.00 6.17 -1.12 -0.46 115.15 120.84 1xz3 h HIS 49 Ca 0.21 -0.23 0.07 0.00 0.71 0.00 0.00 60.37 61.13 1xz3 h HIS 49 Cb 0.18 -0.30 -0.06 0.00 2.52 0.00 0.00 27.41 29.75 1xz3 h HIS 49 CO -0.14 1.06 0.11 0.35 0.71 0.00 0.00 177.93 180.03 1xz3 h PHE 50 N 0.95 0.18 0.06 5.26 3.57 -1.05 -1.20 116.94 124.71 1xz3 h PHE 50 Ca 0.15 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.44 1xz3 h PHE 50 Cb 0.64 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1xz3 h PHE 50 CO 0.04 0.03 -1.07 0.74 -2.23 0.00 0.00 178.31 175.83 1xz3 h PHE 51 N 0.25 0.47 -0.56 0.41 0.04 -1.22 -2.65 116.94 113.68 1xz3 h PHE 51 Ca 0.22 -0.30 -0.08 0.00 2.80 0.00 0.00 57.97 60.61 1xz3 h PHE 51 Cb 0.27 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 1xz3 h PHE 51 CO -0.20 1.17 0.02 0.00 -0.60 0.00 0.00 178.31 178.70 1xz3 h ARG 52 N 0.13 0.94 -0.87 1.51 3.08 -0.94 -0.94 114.38 117.30 1xz3 h ARG 52 Ca -0.09 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 1xz3 h ARG 52 Cb 1.75 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.65 1xz3 h ARG 52 CO 0.17 0.92 0.45 0.93 -1.07 0.00 0.00 179.97 181.37 1xz3 h GLU 53 N 0.87 1.22 -0.31 0.04 4.39 -1.22 -2.38 114.58 117.20 1xz3 h GLU 53 Ca 0.17 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 1xz3 h GLU 53 Cb 0.48 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1xz3 h GLU 53 CO 0.02 0.91 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.58 1xz3 h LEU 54 N 1.22 0.52 -0.74 1.33 3.38 -1.07 -1.42 115.31 118.53 1xz3 h LEU 54 Ca 0.30 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1xz3 h LEU 54 Cb 0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1xz3 h LEU 54 CO -0.04 0.69 0.47 0.00 0.09 0.00 0.00 178.44 179.65 1xz3 h ALA 55 N 1.36 0.96 -0.37 1.53 0.00 -0.69 -0.93 119.26 121.12 1xz3 h ALA 55 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xz3 h ALA 55 Cb 0.53 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1xz3 h ALA 55 CO 0.03 0.28 0.10 1.49 0.00 0.00 0.00 179.25 181.16 1xz3 h GLU 56 N 0.93 0.58 -0.77 0.00 4.81 -1.09 -1.85 114.58 117.18 1xz3 h GLU 56 Ca 0.29 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1xz3 h GLU 56 Cb -0.02 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1xz3 h GLU 56 CO -0.10 0.61 0.46 0.93 -0.73 0.00 0.00 179.01 180.18 1xz3 h GLU 57 N 0.45 1.06 -0.40 1.92 5.08 -0.76 -0.47 114.58 121.45 1xz3 h GLU 57 Ca 0.12 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1xz3 h GLU 57 Cb 0.28 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1xz3 h GLU 57 CO -0.00 0.75 -0.34 0.87 -1.00 0.00 0.00 179.01 179.29 1xz3 h LYS 58 N 1.06 0.92 -0.57 2.33 1.79 -1.06 -1.06 116.57 119.98 1xz3 h LYS 58 Ca 0.28 -0.45 0.01 0.00 -2.18 0.00 0.00 60.65 58.31 1xz3 h LYS 58 Cb -0.03 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 1xz3 h LYS 58 CO -0.05 1.11 0.37 -0.09 -1.08 0.00 0.00 179.45 179.71 1xz3 h ARG 59 N 0.76 0.73 -0.49 3.15 2.43 -1.00 -1.51 114.38 118.45 1xz3 h ARG 59 Ca 0.07 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1xz3 h ARG 59 Cb 0.92 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1xz3 h ARG 59 CO 0.09 0.48 0.17 0.93 -1.51 0.00 0.00 179.97 180.13 1xz3 h GLU 60 N 0.75 0.70 -0.14 0.20 5.08 -0.85 -1.70 114.58 118.62 1xz3 h GLU 60 Ca 0.22 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1xz3 h GLU 60 Cb -0.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1xz3 h GLU 60 CO -0.06 0.60 0.09 0.78 -1.00 0.00 0.00 179.01 179.42 1xz3 h GLY 61 N 0.86 0.19 0.61 -3.84 0.00 -0.65 -0.96 103.07 99.27 1xz3 h GLY 61 Ca 0.16 -0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.49 1xz3 h GLY 61 CO -0.01 0.07 0.37 0.00 0.00 0.00 0.00 176.54 176.97 1xz3 h ALA 62 N 1.05 0.93 -0.56 3.60 0.00 -0.85 -0.95 119.26 122.48 1xz3 h ALA 62 Ca 0.05 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1xz3 h ALA 62 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1xz3 h ALA 62 CO -0.01 0.02 0.10 0.93 0.00 0.00 0.00 179.25 180.29 1xz3 h GLU 63 N 0.66 0.89 -0.60 0.00 5.08 -1.04 -0.08 114.58 119.49 1xz3 h GLU 63 Ca 0.32 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1xz3 h GLU 63 Cb 0.25 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1xz3 h GLU 63 CO -0.21 0.82 0.02 0.00 -1.00 0.00 0.00 179.01 178.64 1xz3 h ARG 64 N 0.85 1.05 -0.72 2.33 3.08 -0.64 -0.87 114.38 119.46 1xz3 h ARG 64 Ca 0.18 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1xz3 h ARG 64 Cb 0.36 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1xz3 h ARG 64 CO 0.01 1.02 0.20 -0.07 -1.07 0.00 0.00 179.97 180.06 1xz3 h LEU 65 N 0.95 1.07 -0.60 3.04 3.38 -0.69 -1.75 115.31 120.71 1xz3 h LEU 65 Ca 0.17 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1xz3 h LEU 65 Cb 0.53 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1xz3 h LEU 65 CO 0.03 1.00 0.07 -0.07 0.09 0.00 0.00 178.44 179.56 1xz3 h LEU 66 N 1.08 0.98 -0.60 1.67 3.38 -0.71 -0.22 115.31 120.90 1xz3 h LEU 66 Ca 0.23 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xz3 h LEU 66 Cb 0.33 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1xz3 h LEU 66 CO -0.00 1.01 0.36 0.50 0.09 0.00 0.00 178.44 180.40 1xz3 h LYS 67 N 0.92 0.81 -0.49 1.13 3.64 -0.98 -2.35 116.57 119.25 1xz3 h LYS 67 Ca 0.18 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1xz3 h LYS 67 Cb 0.46 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1xz3 h LYS 67 CO 0.02 0.58 -0.02 1.98 -2.27 0.00 0.00 179.45 179.74 1xz3 h MET 68 N 0.81 0.88 -0.39 1.90 4.05 -1.11 -0.88 114.93 120.18 1xz3 h MET 68 Ca 0.21 -0.29 0.08 0.00 -0.28 0.00 0.00 59.70 59.42 1xz3 h MET 68 Cb -0.02 -0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 30.63 1xz3 h MET 68 CO -0.04 0.93 -0.11 0.37 0.23 0.00 0.00 176.91 178.28 1xz3 h GLN 69 N 0.73 -0.02 -0.48 0.39 5.75 -0.79 -1.47 115.11 119.23 1xz3 h GLN 69 Ca 0.14 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.55 1xz3 h GLN 69 Cb 0.54 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.08 1xz3 h GLN 69 CO 0.03 -0.01 -0.06 -0.91 -2.65 0.00 0.00 178.83 175.23 1xz3 h ASN 70 N -0.02 0.83 0.01 -0.69 -0.26 -1.21 0.49 115.58 114.73 1xz3 h ASN 70 Ca 0.19 -0.23 -0.02 0.00 -0.56 0.00 0.00 56.30 55.67 1xz3 h ASN 70 Cb 0.31 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1xz3 h ASN 70 CO -0.41 0.93 -0.05 1.56 -1.06 0.00 0.00 177.43 178.39 1xz3 h GLN 71 N 0.77 0.13 -0.00 0.81 4.20 -0.35 -1.97 115.11 118.71 1xz3 h GLN 71 Ca 0.14 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1xz3 h GLN 71 Cb 0.55 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1xz3 h GLN 71 CO 0.03 0.19 -0.47 0.54 -0.67 0.00 0.00 178.83 178.46 1xz3 n ARG 72 N -4.40 0.27 -0.56 1.46 5.12 -0.63 -4.95 116.66 112.97 1xz3 n ARG 72 Ca -0.01 -0.16 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 1xz3 n ARG 72 Cb 0.18 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 1xz3 n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xz3 n GLY 73 N 1.45 0.71 3.89 -0.13 0.00 -0.74 -4.17 105.19 106.20 1xz3 n GLY 73 Ca 0.07 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1xz3 n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xz3 s GLY 74 N -2.09 1.63 -0.17 -0.02 0.00 0.12 -4.68 107.32 102.10 1xz3 s GLY 74 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 43.98 1xz3 s GLY 74 CO 0.00 -0.19 -0.15 0.50 0.00 0.00 0.00 173.10 173.25 1xz3 s ARG 75 N -5.61 2.48 0.24 2.90 1.81 -1.26 -4.25 118.95 115.25 1xz3 s ARG 75 Ca 0.65 -0.70 -0.31 0.00 -1.72 0.00 0.00 55.73 53.64 1xz3 s ARG 75 Cb -0.10 -2.31 -0.12 0.00 -0.45 0.00 0.00 34.95 31.97 1xz3 s ARG 75 CO 0.50 -0.26 1.60 0.00 -0.68 0.00 0.00 175.30 176.46 1xz3 n ALA 76 N 4.70 2.23 -3.76 2.13 0.00 -1.26 -4.98 120.51 119.58 1xz3 n ALA 76 Ca -0.18 0.40 -0.25 0.00 0.00 0.00 0.00 53.44 53.41 1xz3 n ALA 76 Cb 0.49 -2.44 -0.17 0.00 0.00 0.00 0.00 19.45 17.34 1xz3 n ALA 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xz3 s LEU 77 N 0.33 0.81 0.05 0.00 1.43 -1.26 -5.13 118.68 114.90 1xz3 s LEU 77 Ca 0.70 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 1xz3 s LEU 77 Cb -0.55 -0.51 -0.05 0.00 0.03 0.00 0.00 46.19 45.11 1xz3 s LEU 77 CO 0.42 -0.23 0.30 -0.36 0.23 0.00 0.00 176.35 176.71 1xz3 s PHE 78 N 1.92 3.55 0.35 0.29 0.08 -1.26 -4.88 117.98 118.03 1xz3 s PHE 78 Ca 0.03 0.56 0.07 0.00 0.12 0.00 0.00 56.93 57.72 1xz3 s PHE 78 Cb -0.14 -1.99 -0.07 0.00 -0.57 0.00 0.00 43.02 40.25 1xz3 s PHE 78 CO -0.06 0.57 -0.03 -0.65 -0.10 0.00 0.00 175.22 174.94 1xz3 s GLN 79 N -2.02 1.77 0.36 0.44 -1.52 -1.26 -5.11 119.66 112.32 1xz3 s GLN 79 Ca 0.31 -1.95 -0.26 0.00 -1.95 0.00 0.00 55.36 51.51 1xz3 s GLN 79 Cb -0.13 -1.43 -0.12 0.00 -0.22 0.00 0.00 33.01 31.11 1xz3 s GLN 79 CO 0.19 0.01 1.04 -0.25 -0.25 0.00 0.00 175.29 176.03 1xz3 n ASP 80 N -0.78 1.45 -4.49 5.90 8.00 -1.26 -4.96 116.55 120.42 1xz3 n ASP 80 Ca -0.05 1.11 -0.40 0.00 0.71 0.00 0.00 54.79 56.17 1xz3 n ASP 80 Cb 0.65 -1.34 -0.11 0.00 -0.02 0.00 0.00 41.12 40.29 1xz3 n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xz3 s LEU 81 N -0.19 4.34 0.46 0.64 1.43 -1.26 -5.07 118.68 119.04 1xz3 s LEU 81 Ca 0.60 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 53.00 1xz3 s LEU 81 Cb -0.61 -2.08 -0.07 0.00 0.03 0.00 0.00 46.19 43.46 1xz3 s LEU 81 CO 0.59 -0.22 1.20 0.00 0.23 0.00 0.00 176.35 178.15 1xz3 s GLN 82 N 1.67 3.70 0.73 1.70 -2.07 -1.26 -5.00 119.66 119.14 1xz3 s GLN 82 Ca 0.05 1.87 -0.12 0.00 -1.82 0.00 0.00 55.36 55.34 1xz3 s GLN 82 Cb -0.17 -2.43 0.03 0.00 -1.09 0.00 0.00 33.01 29.35 1xz3 s GLN 82 CO 0.09 -0.62 1.09 -1.59 -1.32 0.00 0.00 175.29 172.94 1xz3 s LYS 83 N -2.67 2.50 0.91 9.60 -2.85 -1.26 -4.90 119.74 121.07 1xz3 s LYS 83 Ca 0.64 1.23 -0.10 0.00 -1.00 0.00 0.00 55.97 56.73 1xz3 s LYS 83 Cb -0.31 -1.92 0.14 0.00 -2.06 0.00 0.00 37.83 33.68 1xz3 s LYS 83 CO 0.38 -1.46 1.16 -2.14 0.10 0.00 0.00 175.35 173.38 1xz3 s PRO 84 N -4.63 1.03 0.53 1.78 0.02 -1.26 -4.90 135.00 127.57 1xz3 s PRO 84 Ca 0.63 1.59 0.32 0.00 0.02 0.00 0.00 61.00 63.55 1xz3 s PRO 84 Cb -0.18 -1.73 1.28 0.00 0.02 0.00 0.00 34.50 33.90 1xz3 s PRO 84 CO 0.51 -2.63 1.96 0.66 -0.33 0.00 0.00 177.00 177.16 1xz3 h SER 85 N -1.80 0.00 -4.39 2.53 4.64 -1.98 -3.43 113.55 109.12 1xz3 h SER 85 Ca -0.43 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.58 1xz3 h SER 85 Cb 1.27 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.19 1xz3 h SER 85 CO 0.42 0.04 -0.73 -1.10 -0.87 0.00 0.00 176.83 174.59 1xz3 s GLN 86 N -3.68 0.85 -0.12 4.77 -0.21 -1.26 -5.04 119.66 114.97 1xz3 s GLN 86 Ca 0.01 -1.19 0.16 0.00 0.02 0.00 0.00 55.36 54.36 1xz3 s GLN 86 Cb 0.09 -0.49 -0.24 0.00 1.00 0.00 0.00 33.01 33.37 1xz3 s GLN 86 CO 0.56 0.07 0.36 -0.25 -2.12 0.00 0.00 175.29 173.91 1xz3 n ASP 87 N 0.46 0.40 -4.13 5.90 8.00 -1.26 -4.94 116.55 120.98 1xz3 n ASP 87 Ca -0.15 0.19 -0.23 0.00 0.71 0.00 0.00 54.79 55.30 1xz3 n ASP 87 Cb 0.58 0.55 -0.15 0.00 -0.02 0.00 0.00 41.12 42.08 1xz3 n ASP 87 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xz3 s GLU 88 N -2.58 1.29 0.00 -1.24 2.02 -1.26 -4.97 118.70 111.97 1xz3 s GLU 88 Ca -0.07 -0.55 0.10 0.00 0.02 0.00 0.00 54.97 54.47 1xz3 s GLU 88 Cb 0.07 -1.23 0.17 0.00 0.10 0.00 0.00 34.13 33.24 1xz3 s GLU 88 CO 0.83 0.31 1.00 0.91 0.02 0.00 0.00 175.26 178.33 1xz3 n TRP 89 N 2.77 0.18 -2.95 1.61 7.02 -1.26 -5.08 117.44 119.74 1xz3 n TRP 89 Ca -0.15 -0.22 0.00 0.00 -1.02 0.00 0.00 57.50 56.11 1xz3 n TRP 89 Cb 0.54 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 1xz3 n TRP 89 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1xz3 n GLY 90 N 0.50 1.00 3.97 6.99 0.00 -1.26 -3.65 105.19 112.74 1xz3 n GLY 90 Ca 0.08 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 1xz3 n GLY 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xz3 s THR 91 N 0.00 2.32 0.24 2.61 -4.23 -1.26 -4.89 115.64 110.43 1xz3 s THR 91 Ca 0.00 -0.51 -0.05 0.00 -1.18 0.00 0.00 61.69 59.95 1xz3 s THR 91 Cb 0.00 -2.81 0.20 0.00 1.34 0.00 0.00 72.50 71.23 1xz3 s THR 91 CO 0.00 0.00 1.80 0.74 -0.54 0.00 0.00 174.62 176.62 1xz3 h THR 92 N -0.42 0.89 -0.12 3.99 2.02 -1.98 -0.87 112.91 116.41 1xz3 h THR 92 Ca -0.40 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1xz3 h THR 92 Cb 1.28 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1xz3 h THR 92 CO 0.48 0.13 0.08 0.25 0.37 0.00 0.00 175.52 176.83 1xz3 h LEU 93 N 0.73 0.14 -0.64 2.58 5.85 -1.94 0.07 115.31 122.10 1xz3 h LEU 93 Ca 0.38 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.16 1xz3 h LEU 93 Cb 0.36 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1xz3 h LEU 93 CO -0.25 0.11 0.33 0.44 -0.34 0.00 0.00 178.44 178.73 1xz3 h ASP 94 N 0.16 0.45 -0.30 1.25 3.32 -1.67 -1.25 116.42 118.38 1xz3 h ASP 94 Ca 0.05 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1xz3 h ASP 94 Cb -0.01 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1xz3 h ASP 94 CO -0.01 0.28 -0.06 0.00 -1.72 0.00 0.00 179.24 177.73 1xz3 h ALA 95 N 1.36 0.41 -0.37 3.45 0.00 -0.89 -1.72 119.26 121.50 1xz3 h ALA 95 Ca 0.30 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1xz3 h ALA 95 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1xz3 h ALA 95 CO -0.22 0.22 -0.01 1.98 0.00 0.00 0.00 179.25 181.23 1xz3 h MET 96 N 0.34 0.59 -0.46 0.00 1.85 -0.79 -0.66 114.93 115.79 1xz3 h MET 96 Ca 0.08 -0.14 -0.03 0.00 -0.61 0.00 0.00 59.70 59.00 1xz3 h MET 96 Cb 0.54 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.47 1xz3 h MET 96 CO 0.03 0.62 0.16 0.87 -0.40 0.00 0.00 176.91 178.18 1xz3 h LYS 97 N 0.56 0.71 -0.83 0.39 1.57 -1.04 -1.73 116.57 116.21 1xz3 h LYS 97 Ca 0.12 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1xz3 h LYS 97 Cb 0.37 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1xz3 h LYS 97 CO 0.01 0.67 0.38 0.00 -0.57 0.00 0.00 179.45 179.95 1xz3 h ALA 98 N 1.01 1.11 -0.62 3.86 0.00 -1.01 -2.05 119.26 121.56 1xz3 h ALA 98 Ca 0.15 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1xz3 h ALA 98 Cb 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1xz3 h ALA 98 CO -0.01 0.66 0.09 0.00 0.00 0.00 0.00 179.25 180.00 1xz3 h ALA 99 N 1.23 0.83 -0.12 0.00 0.00 -0.95 -1.84 119.26 118.40 1xz3 h ALA 99 Ca 0.28 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1xz3 h ALA 99 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xz3 h ALA 99 CO -0.03 0.59 -0.61 0.97 0.00 0.00 0.00 179.25 180.16 1xz3 h ILE 100 N 0.94 1.36 -0.62 0.00 2.10 -1.07 -0.39 117.51 119.83 1xz3 h ILE 100 Ca 0.19 -1.94 0.02 0.00 1.08 0.00 0.00 64.86 64.20 1xz3 h ILE 100 Cb 0.44 1.94 -0.04 0.00 -1.09 0.00 0.00 36.82 38.07 1xz3 h ILE 100 CO 0.01 0.59 0.40 0.58 -1.08 0.00 0.00 178.15 178.65 1xz3 h VAL 101 N 0.30 1.11 -0.27 2.19 2.07 -1.27 -1.24 116.25 119.15 1xz3 h VAL 101 Ca -0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1xz3 h VAL 101 Cb 1.15 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1xz3 h VAL 101 CO 0.11 0.14 0.08 0.25 0.02 0.00 0.00 177.57 178.17 1xz3 h LEU 102 N 0.79 0.40 -0.90 2.57 5.85 -0.98 -1.79 115.31 121.25 1xz3 h LEU 102 Ca 0.24 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1xz3 h LEU 102 Cb -0.03 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1xz3 h LEU 102 CO -0.08 0.51 0.28 -0.33 -0.34 0.00 0.00 178.44 178.48 1xz3 h GLU 103 N 0.27 1.09 -0.48 1.25 4.39 -0.92 -1.68 114.58 118.49 1xz3 h GLU 103 Ca 0.09 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 1xz3 h GLU 103 Cb 0.26 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1xz3 h GLU 103 CO -0.00 0.89 -0.01 0.87 -1.16 0.00 0.00 179.01 179.60 1xz3 h LYS 104 N 1.06 0.79 -0.78 2.33 1.57 -1.14 0.15 116.57 120.55 1xz3 h LYS 104 Ca 0.24 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1xz3 h LYS 104 Cb 0.21 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1xz3 h LYS 104 CO -0.02 0.81 0.33 0.66 -0.57 0.00 0.00 179.45 180.66 1xz3 h SER 105 N 0.74 1.05 -0.26 0.86 4.64 -0.88 -0.24 113.55 119.46 1xz3 h SER 105 Ca 0.14 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1xz3 h SER 105 Cb 0.46 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1xz3 h SER 105 CO 0.02 0.92 -0.22 -0.07 -0.87 0.00 0.00 176.83 176.60 1xz3 h LEU 106 N 1.13 0.65 -0.62 5.97 3.38 -0.93 -2.27 115.31 122.61 1xz3 h LEU 106 Ca 0.26 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1xz3 h LEU 106 Cb 0.18 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1xz3 h LEU 106 CO -0.03 0.97 0.38 -1.13 0.09 0.00 0.00 178.44 178.72 1xz3 h ASN 107 N 0.33 0.60 -0.66 -0.43 -0.00 -0.57 -0.41 115.58 114.44 1xz3 h ASN 107 Ca 0.05 0.01 -0.04 0.00 -0.00 0.00 0.00 56.30 56.31 1xz3 h ASN 107 Cb 0.77 -0.12 -0.03 0.00 -0.00 0.00 0.00 38.32 38.94 1xz3 h ASN 107 CO 0.06 0.42 0.27 -0.61 -0.00 0.00 0.00 177.43 177.56 1xz3 h GLN 108 N 0.73 1.01 -0.67 6.67 5.75 -0.96 -0.61 115.11 127.04 1xz3 h GLN 108 Ca 0.26 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 1xz3 h GLN 108 Cb 0.05 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 1xz3 h GLN 108 CO -0.12 0.83 0.20 0.00 -2.65 0.00 0.00 178.83 177.09 1xz3 h ALA 109 N 1.30 0.88 -0.52 3.38 0.00 -0.84 0.34 119.26 123.79 1xz3 h ALA 109 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xz3 h ALA 109 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1xz3 h ALA 109 CO -0.02 0.57 0.28 -0.07 0.00 0.00 0.00 179.25 180.01 1xz3 h LEU 110 N 0.98 0.66 -0.57 0.00 3.38 -0.58 -1.13 115.31 118.04 1xz3 h LEU 110 Ca 0.22 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1xz3 h LEU 110 Cb 0.31 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1xz3 h LEU 110 CO -0.01 0.56 0.18 -0.07 0.09 0.00 0.00 178.44 179.20 1xz3 h LEU 111 N 0.70 0.83 -0.87 1.67 3.38 -0.86 -0.08 115.31 120.08 1xz3 h LEU 111 Ca 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1xz3 h LEU 111 Cb 0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1xz3 h LEU 111 CO -0.03 0.82 0.51 0.44 0.09 0.00 0.00 178.44 180.27 1xz3 h ASP 112 N 0.81 1.06 -0.47 -0.43 3.32 -0.76 -0.97 116.42 118.97 1xz3 h ASP 112 Ca 0.19 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1xz3 h ASP 112 Cb 0.28 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1xz3 h ASP 112 CO -0.01 0.82 -0.14 0.25 -1.72 0.00 0.00 179.24 178.44 1xz3 h LEU 113 N 1.20 0.97 -0.76 1.55 5.85 -0.82 -0.56 115.31 122.73 1xz3 h LEU 113 Ca 0.31 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1xz3 h LEU 113 Cb -0.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 1xz3 h LEU 113 CO -0.06 1.10 0.26 -0.74 -0.34 0.00 0.00 178.44 178.67 1xz3 h HIS 114 N 0.85 1.21 -0.60 1.25 2.76 -0.76 0.20 115.15 120.06 1xz3 h HIS 114 Ca 0.13 -0.11 -0.05 0.00 -2.20 0.00 0.00 60.37 58.14 1xz3 h HIS 114 Cb 0.70 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 29.28 1xz3 h HIS 114 CO 0.04 0.94 0.19 0.00 -1.30 0.00 0.00 177.93 177.81 1xz3 h ALA 115 N 1.14 0.79 -0.14 5.26 0.00 -0.83 -0.11 119.26 125.37 1xz3 h ALA 115 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xz3 h ALA 115 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xz3 h ALA 115 CO -0.01 0.45 0.08 1.25 0.00 0.00 0.00 179.25 181.02 1xz3 h LEU 116 N 0.85 0.14 -0.82 0.00 5.85 -0.81 -0.89 115.31 119.63 1xz3 h LEU 116 Ca 0.19 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1xz3 h LEU 116 Cb 0.28 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1xz3 h LEU 116 CO -0.01 0.10 0.51 1.23 -0.34 0.00 0.00 178.44 179.93 1xz3 h GLY 117 N 0.17 1.21 0.97 3.75 0.00 -0.59 -0.31 103.07 108.27 1xz3 h GLY 117 Ca 0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1xz3 h GLY 117 CO -0.02 0.29 0.20 1.76 0.00 0.00 0.00 176.54 178.77 1xz3 h SER 118 N 0.96 0.42 -0.24 0.19 0.02 -0.72 -0.15 113.55 114.03 1xz3 h SER 118 Ca 0.34 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1xz3 h SER 118 Cb 0.10 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1xz3 h SER 118 CO -0.15 0.36 0.05 0.00 -1.14 0.00 0.00 176.83 175.96 1xz3 h ALA 119 N 1.07 1.49 -0.28 3.77 0.00 -0.67 -2.04 119.26 122.61 1xz3 h ALA 119 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xz3 h ALA 119 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xz3 h ALA 119 CO -0.02 0.38 0.00 1.04 0.00 0.00 0.00 179.25 180.65 1xz3 n GLN 120 N -4.33 1.81 -3.70 0.00 3.00 -0.17 -4.96 117.38 109.02 1xz3 n GLN 120 Ca 0.02 -1.24 -0.29 0.00 -0.01 0.00 0.00 57.00 55.47 1xz3 n GLN 120 Cb 0.20 -1.34 0.03 0.00 0.00 0.00 0.00 30.24 29.12 1xz3 n GLN 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xz3 n ALA 121 N 0.48 -2.62 -3.69 -1.58 0.00 -0.50 -4.94 120.51 107.66 1xz3 n ALA 121 Ca 0.14 -0.28 -0.27 0.00 0.00 0.00 0.00 53.44 53.03 1xz3 n ALA 121 Cb 0.33 -2.81 -0.10 0.00 0.00 0.00 0.00 19.45 16.87 1xz3 n ALA 121 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xz3 n ASP 122 N -2.46 2.91 0.25 0.00 -0.08 -0.19 -4.96 116.55 112.03 1xz3 n ASP 122 Ca -0.13 -3.21 0.08 0.00 -1.51 0.00 0.00 54.79 50.01 1xz3 n ASP 122 Cb 0.60 -0.71 0.60 0.00 2.34 0.00 0.00 41.12 43.95 1xz3 n ASP 122 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1xz3 h PRO 123 N 4.96 0.00 -0.62 -0.67 0.13 -1.92 -2.38 132.00 131.50 1xz3 h PRO 123 Ca 0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.23 1xz3 h PRO 123 Cb 0.74 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1xz3 h PRO 123 CO 0.72 0.10 0.10 1.25 -0.23 0.00 0.00 178.00 179.94 1xz3 h HIS 124 N 0.00 1.10 -0.36 1.56 -0.00 -1.96 -1.35 115.15 114.14 1xz3 h HIS 124 Ca -0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 60.37 60.21 1xz3 h HIS 124 Cb 0.18 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 1xz3 h HIS 124 CO 0.00 0.94 0.19 1.25 -0.00 0.00 0.00 177.93 180.31 1xz3 h LEU 125 N 0.94 0.45 -0.40 0.26 5.85 -1.85 -0.61 115.31 119.95 1xz3 h LEU 125 Ca 0.19 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1xz3 h LEU 125 Cb 0.43 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1xz3 h LEU 125 CO 0.01 0.42 0.26 0.00 -0.34 0.00 0.00 178.44 178.79 1xz3 h ASP 127 N 0.53 0.78 -0.55 0.00 1.82 -1.17 -1.86 116.42 115.97 1xz3 h ASP 127 Ca 0.15 -0.19 0.06 0.00 -0.39 0.00 0.00 57.03 56.67 1xz3 h ASP 127 Cb -0.04 -0.20 -0.06 0.00 0.68 0.00 0.00 39.33 39.71 1xz3 h ASP 127 CO -0.04 0.76 0.24 0.15 -1.61 0.00 0.00 179.24 178.73 1xz3 h PHE 128 N 0.76 0.44 -0.50 0.28 3.57 -0.60 0.25 116.94 121.14 1xz3 h PHE 128 Ca 0.18 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1xz3 h PHE 128 Cb 0.24 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1xz3 h PHE 128 CO 0.01 0.18 0.03 -0.07 -2.23 0.00 0.00 178.31 176.23 1xz3 h LEU 129 N 0.46 0.84 -0.82 0.59 4.07 -1.07 -2.58 115.31 116.79 1xz3 h LEU 129 Ca 0.26 -0.29 -0.10 0.00 0.08 0.00 0.00 57.88 57.82 1xz3 h LEU 129 Cb 0.23 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1xz3 h LEU 129 CO -0.22 0.92 -0.24 -0.33 -1.08 0.00 0.00 178.44 177.49 1xz3 h GLU 130 N 0.73 0.61 -0.13 1.13 5.08 -0.82 -1.27 114.58 119.91 1xz3 h GLU 130 Ca 0.15 -0.24 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 1xz3 h GLU 130 Cb 0.47 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.70 1xz3 h GLU 130 CO 0.02 0.80 -0.83 0.77 -1.00 0.00 0.00 179.01 178.77 1xz3 h SER 131 N 0.54 0.93 -0.00 1.42 0.02 -0.88 -3.39 113.55 112.18 1xz3 h SER 131 Ca 0.08 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1xz3 h SER 131 Cb 0.70 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1xz3 h SER 131 CO 0.05 1.43 -0.09 1.41 -1.14 0.00 0.00 176.83 178.49 1xz3 n HIS 132 N -3.92 0.00 0.00 3.45 8.25 -0.98 -4.92 115.22 117.10 1xz3 n HIS 132 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1xz3 n HIS 132 Cb 0.77 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.88 1xz3 n HIS 132 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1xz3 n PHE 133 N -0.59 0.00 0.01 4.41 3.72 -0.75 -4.78 117.46 119.48 1xz3 n PHE 133 Ca 0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.29 1xz3 n PHE 133 Cb 0.06 0.41 -0.07 0.00 -0.94 0.00 0.00 39.48 38.94 1xz3 n PHE 133 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1xz3 h LEU 134 N 0.00 0.08 -0.61 4.37 4.07 -1.47 -0.34 115.31 121.41 1xz3 h LEU 134 Ca 0.00 -0.10 -0.15 0.00 0.08 0.00 0.00 57.88 57.71 1xz3 h LEU 134 Cb 0.14 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1xz3 h LEU 134 CO 0.00 0.15 -0.56 -0.78 -1.08 0.00 0.00 178.44 176.17 1xz3 h ASP 135 N -0.01 0.43 -0.62 -0.43 3.58 -1.84 -2.22 116.42 115.31 1xz3 h ASP 135 Ca 0.02 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.23 1xz3 h ASP 135 Cb 0.09 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 1xz3 h ASP 135 CO -0.00 0.91 0.38 -0.08 -2.88 0.00 0.00 179.24 177.56 1xz3 h GLU 136 N 0.30 0.85 -0.15 0.28 4.81 -1.81 -0.63 114.58 118.22 1xz3 h GLU 136 Ca 0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1xz3 h GLU 136 Cb 1.08 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1xz3 h GLU 136 CO 0.10 0.60 0.05 0.93 -0.73 0.00 0.00 179.01 179.96 1xz3 h GLU 137 N 0.85 0.23 -0.46 1.92 4.39 -0.93 -1.62 114.58 118.96 1xz3 h GLU 137 Ca 0.22 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.92 1xz3 h GLU 137 Cb -0.03 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 1xz3 h GLU 137 CO -0.04 0.35 0.21 0.28 -1.16 0.00 0.00 179.01 178.65 1xz3 h VAL 138 N 0.07 0.93 -0.79 3.13 2.07 -1.15 -0.87 116.25 119.64 1xz3 h VAL 138 Ca 0.05 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1xz3 h VAL 138 Cb 0.21 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1xz3 h VAL 138 CO -0.00 0.08 0.32 0.11 0.02 0.00 0.00 177.57 178.09 1xz3 h LYS 139 N 0.42 1.18 -0.29 1.57 1.57 -0.97 -1.60 116.57 118.44 1xz3 h LYS 139 Ca 0.20 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1xz3 h LYS 139 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1xz3 h LYS 139 CO -0.16 0.95 -0.13 1.25 -0.57 0.00 0.00 179.45 180.79 1xz3 h LEU 140 N 1.15 0.62 -0.80 2.94 5.85 -0.95 -1.73 115.31 122.39 1xz3 h LEU 140 Ca 0.26 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1xz3 h LEU 140 Cb 0.21 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1xz3 h LEU 140 CO -0.02 0.89 0.37 0.40 -0.34 0.00 0.00 178.44 179.74 1xz3 h ILE 141 N 0.35 1.25 -0.38 4.05 2.04 -1.04 -0.67 117.51 123.12 1xz3 h ILE 141 Ca 0.07 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.22 1xz3 h ILE 141 Cb 0.65 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1xz3 h ILE 141 CO 0.04 0.31 0.19 0.50 0.00 0.00 0.00 178.15 179.19 1xz3 h LYS 142 N 1.14 0.38 -0.68 2.37 1.63 -1.16 -0.73 116.57 119.52 1xz3 h LYS 142 Ca 0.27 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.03 1xz3 h LYS 142 Cb 0.14 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 1xz3 h LYS 142 CO -0.03 0.25 0.34 -0.22 -3.45 0.00 0.00 179.45 176.33 1xz3 h LYS 143 N 0.39 0.97 -0.55 1.90 3.64 -0.90 0.04 116.57 122.05 1xz3 h LYS 143 Ca 0.16 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1xz3 h LYS 143 Cb 0.07 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1xz3 h LYS 143 CO -0.12 0.76 -0.05 0.52 -2.27 0.00 0.00 179.45 178.29 1xz3 h MET 144 N 0.94 0.99 -0.60 1.90 2.86 -0.90 -0.62 114.93 119.50 1xz3 h MET 144 Ca 0.23 -0.33 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1xz3 h MET 144 Cb 0.10 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 1xz3 h MET 144 CO -0.03 1.00 0.37 0.78 1.06 0.00 0.00 176.91 180.09 1xz3 h GLY 145 N 0.98 0.85 0.98 8.32 0.00 -0.74 0.15 103.07 113.61 1xz3 h GLY 145 Ca 0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1xz3 h GLY 145 CO 0.04 0.23 0.24 -0.55 0.00 0.00 0.00 176.54 176.51 1xz3 h ASP 146 N 0.72 0.50 -0.36 0.19 3.32 -0.58 -1.69 116.42 118.52 1xz3 h ASP 146 Ca 0.24 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1xz3 h ASP 146 Cb 0.02 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1xz3 h ASP 146 CO -0.10 0.42 0.16 0.45 -1.72 0.00 0.00 179.24 178.45 1xz3 h HIS 147 N 0.54 0.53 -0.76 4.55 3.86 -0.76 -2.16 115.15 120.95 1xz3 h HIS 147 Ca 0.15 -0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.41 1xz3 h HIS 147 Cb 0.01 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.25 1xz3 h HIS 147 CO -0.03 0.46 0.42 -0.07 0.86 0.00 0.00 177.93 179.57 1xz3 h LEU 148 N 0.44 0.61 -0.49 2.43 3.38 -0.41 0.11 115.31 121.37 1xz3 h LEU 148 Ca 0.12 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1xz3 h LEU 148 Cb 0.14 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1xz3 h LEU 148 CO -0.01 0.36 0.20 0.74 0.09 0.00 0.00 178.44 179.82 1xz3 h THR 149 N 0.73 1.21 -0.45 0.22 2.02 -1.06 -0.37 112.91 115.22 1xz3 h THR 149 Ca 0.36 -0.65 -0.12 0.00 0.77 0.00 0.00 66.41 66.77 1xz3 h THR 149 Cb 0.30 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1xz3 h THR 149 CO -0.23 0.24 -0.19 0.78 0.37 0.00 0.00 175.52 176.50 1xz3 h ASN 150 N 0.66 0.94 -0.25 4.18 2.35 -0.82 -1.06 115.58 121.58 1xz3 h ASN 150 Ca 0.16 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1xz3 h ASN 150 Cb 0.19 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1xz3 h ASN 150 CO -0.01 1.12 0.16 0.40 -1.65 0.00 0.00 177.43 177.45 1xz3 h ILE 151 N 0.75 1.06 -0.76 2.81 2.04 -0.62 -2.10 117.51 120.70 1xz3 h ILE 151 Ca 0.10 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1xz3 h ILE 151 Cb 0.75 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1xz3 h ILE 151 CO 0.06 0.06 0.50 1.56 0.00 0.00 0.00 178.15 180.33 1xz3 h GLN 152 N 0.33 1.00 -0.64 2.37 4.20 -0.94 -1.76 115.11 119.66 1xz3 h GLN 152 Ca 0.09 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1xz3 h GLN 152 Cb -0.04 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.49 1xz3 h GLN 152 CO -0.02 0.66 0.38 -0.09 -0.67 0.00 0.00 178.83 179.09 1xz3 h ARG 153 N 1.03 0.87 0.00 1.46 2.43 -1.04 -2.73 114.38 116.41 1xz3 h ARG 153 Ca 0.28 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1xz3 h ARG 153 Cb -0.11 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.25 1xz3 h ARG 153 CO -0.06 0.62 0.00 -0.07 -1.51 0.00 0.00 179.97 178.95 1xz3 h LEU 154 N 0.89 0.00 -9.08 3.80 3.38 -0.63 -3.51 115.31 110.16 1xz3 h LEU 154 Ca 0.23 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.64 1xz3 h LEU 154 Cb -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1xz3 h LEU 154 CO -0.04 0.00 1.02 0.68 0.09 0.00 0.00 178.44 180.19 1xz3 s VAL 155 N -3.31 3.94 0.00 1.22 -7.23 -0.95 -4.23 120.40 109.85 1xz3 s VAL 155 Ca 0.06 1.09 0.00 0.00 -1.81 0.00 0.00 61.98 61.32 1xz3 s VAL 155 Cb 0.08 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1xz3 s VAL 155 CO 0.59 -0.26 0.00 0.00 -0.31 0.00 0.00 175.10 175.12 1xz3 n GLN 158 N 7.22 -0.26 -0.18 4.82 1.13 -1.26 -5.04 117.38 123.80 1xz3 n GLN 158 Ca 0.16 -0.13 -0.08 0.00 -1.94 0.00 0.00 57.00 55.01 1xz3 n GLN 158 Cb 0.45 0.24 0.01 0.00 0.11 0.00 0.00 30.24 31.05 1xz3 n GLN 158 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xz3 h ALA 159 N 1.48 0.69 -0.14 -1.58 0.00 -2.00 -2.18 119.26 115.53 1xz3 h ALA 159 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1xz3 h ALA 159 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1xz3 h ALA 159 CO 0.00 0.36 -0.02 0.78 0.00 0.00 0.00 179.25 180.37 1xz3 h GLY 160 N 0.72 0.12 0.98 0.00 0.00 -2.00 -1.64 103.07 101.25 1xz3 h GLY 160 Ca 0.17 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.54 1xz3 h GLY 160 CO -0.00 -0.04 0.25 -2.00 0.00 0.00 0.00 176.54 174.75 1xz3 h LEU 161 N 0.02 0.43 -0.71 3.11 5.85 -1.92 -2.31 115.31 119.78 1xz3 h LEU 161 Ca 0.07 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1xz3 h LEU 161 Cb 0.09 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1xz3 h LEU 161 CO -0.13 0.31 0.43 1.23 -0.34 0.00 0.00 178.44 179.95 1xz3 h GLY 162 N 0.52 1.03 1.06 3.75 0.00 -1.18 -0.97 103.07 107.28 1xz3 h GLY 162 Ca 0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 1xz3 h GLY 162 CO -0.04 0.25 -0.09 -2.09 0.00 0.00 0.00 176.54 174.57 1xz3 h GLU 163 N 0.83 0.96 -0.33 4.80 4.81 -1.07 -1.10 114.58 123.48 1xz3 h GLU 163 Ca 0.29 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1xz3 h GLU 163 Cb 0.07 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1xz3 h GLU 163 CO -0.13 1.02 0.17 -0.92 -0.73 0.00 0.00 179.01 178.42 1xz3 h TYR 164 N 0.82 0.47 -0.54 0.92 3.20 -1.20 -2.37 116.97 118.28 1xz3 h TYR 164 Ca 0.13 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 1xz3 h TYR 164 Cb 0.64 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1xz3 h TYR 164 CO 0.05 0.40 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.85 1xz3 h LEU 165 N 0.41 0.93 -0.27 2.82 3.38 -0.96 -0.91 115.31 120.70 1xz3 h LEU 165 Ca 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1xz3 h LEU 165 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1xz3 h LEU 165 CO -0.02 1.01 0.12 0.15 0.09 0.00 0.00 178.44 179.79 1xz3 h PHE 166 N 0.86 0.40 -0.83 1.13 3.57 -1.17 0.68 116.94 121.59 1xz3 h PHE 166 Ca 0.15 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1xz3 h PHE 166 Cb 0.56 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1xz3 h PHE 166 CO 0.03 0.39 0.48 1.49 -2.23 0.00 0.00 178.31 178.47 1xz3 h GLU 167 N 0.30 1.14 -0.22 1.11 4.22 -1.16 -0.53 114.58 119.43 1xz3 h GLU 167 Ca 0.09 -0.12 -0.14 0.00 0.08 0.00 0.00 59.36 59.27 1xz3 h GLU 167 Cb 0.14 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1xz3 h GLU 167 CO -0.01 0.81 -0.42 0.00 -2.18 0.00 0.00 179.01 177.21 1xz3 h ARG 168 N 1.14 0.67 0.00 1.92 2.47 -0.97 -3.14 114.38 116.47 1xz3 h ARG 168 Ca 0.29 -0.43 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1xz3 h ARG 168 Cb -0.01 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1xz3 h ARG 168 CO -0.05 1.05 -1.41 1.28 0.56 0.00 0.00 179.97 181.40 1xz3 n LEU 169 N -4.20 0.15 -0.09 3.04 4.77 0.22 -4.64 117.00 116.25 1xz3 n LEU 169 Ca -0.06 -0.11 -0.18 0.00 -0.03 0.00 0.00 56.01 55.63 1xz3 n LEU 169 Cb 0.55 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 1xz3 n LEU 169 CO 0.46 0.04 -1.10 0.41 -1.33 0.00 0.00 177.39 175.87 1xz3 n THR 170 N -1.83 0.98 1.63 -5.08 -1.04 -0.24 -5.05 114.28 103.65 1xz3 n THR 170 Ca -0.01 -0.28 0.15 0.00 -2.04 0.00 0.00 64.05 61.86 1xz3 n THR 170 Cb 0.33 -1.59 0.64 0.00 -1.82 0.00 0.00 70.33 67.89 1xz3 n THR 170 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61