#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bng h THR 14 N 0.00 0.71 -0.75 6.31 2.02 -2.00 -1.30 112.91 117.90 2bng h THR 14 Ca 0.00 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 2bng h THR 14 Cb 0.00 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2bng h THR 14 CO 0.00 0.04 0.31 0.71 0.37 0.00 0.00 175.52 176.95 2bng h THR 15 N -0.51 1.25 -0.26 3.16 1.35 -1.99 -1.95 112.91 113.97 2bng h THR 15 Ca -0.04 -0.77 0.06 0.00 -0.55 0.00 0.00 66.41 65.10 2bng h THR 15 Cb 0.38 0.36 -0.06 0.00 -1.73 0.00 0.00 68.15 67.11 2bng h THR 15 CO 0.07 0.32 -0.11 -0.33 -0.25 0.00 0.00 175.52 175.21 2bng h GLU 16 N 1.07 -0.07 -0.71 4.72 5.08 -1.99 0.33 114.58 123.01 2bng h GLU 16 Ca 0.25 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2bng h GLU 16 Cb 0.19 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2bng h GLU 16 CO -0.02 -0.05 0.23 0.00 -1.00 0.00 0.00 179.01 178.17 2bng h ALA 17 N 1.14 0.93 -0.43 3.43 0.00 -0.99 -0.93 119.26 122.41 2bng h ALA 17 Ca 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2bng h ALA 17 Cb 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2bng h ALA 17 CO -0.31 0.60 0.24 0.82 0.00 0.00 0.00 179.25 180.61 2bng h ILE 18 N 1.04 1.15 -0.29 0.00 2.04 -1.09 -2.37 117.51 117.99 2bng h ILE 18 Ca 0.23 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 2bng h ILE 18 Cb 0.29 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2bng h ILE 18 CO -0.01 0.16 -0.29 0.03 0.00 0.00 0.00 178.15 178.04 2bng h ARG 19 N 0.56 0.60 -0.66 2.37 3.08 -0.64 -0.94 114.38 118.75 2bng h ARG 19 Ca 0.15 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2bng h ARG 19 Cb 0.04 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2bng h ARG 19 CO -0.03 0.83 0.39 0.00 -1.07 0.00 0.00 179.97 180.09 2bng h ALA 20 N 1.17 0.84 -0.21 0.04 0.00 -1.06 0.57 119.26 120.61 2bng h ALA 20 Ca 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2bng h ALA 20 Cb 0.76 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2bng h ALA 20 CO 0.06 0.33 -0.04 0.28 0.00 0.00 0.00 179.25 179.88 2bng h VAL 21 N 0.90 1.28 0.02 0.00 2.07 -0.99 0.37 116.25 119.91 2bng h VAL 21 Ca 0.24 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.76 2bng h VAL 21 Cb -0.01 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2bng h VAL 21 CO -0.04 0.31 -0.06 -0.33 0.02 0.00 0.00 177.57 177.47 2bng h GLU 22 N 0.12 -0.10 -0.61 1.57 5.08 -1.12 -1.19 114.58 118.34 2bng h GLU 22 Ca 0.05 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2bng h GLU 22 Cb 0.48 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2bng h GLU 22 CO 0.02 -0.07 0.30 0.00 -1.00 0.00 0.00 179.01 178.26 2bng h ALA 23 N 0.86 0.80 -0.16 3.43 0.00 -0.76 -0.10 119.26 123.33 2bng h ALA 23 Ca 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2bng h ALA 23 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2bng h ALA 23 CO -0.04 -0.07 0.10 0.35 0.00 0.00 0.00 179.25 179.59 2bng h PHE 24 N 0.55 0.21 -0.38 0.00 3.57 -0.58 -0.07 116.94 120.25 2bng h PHE 24 Ca 0.28 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.67 2bng h PHE 24 Cb 0.24 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2bng h PHE 24 CO -0.11 0.18 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.85 2bng h LEU 25 N 0.19 0.77 -0.86 0.59 3.38 -0.71 -0.59 115.31 118.07 2bng h LEU 25 Ca 0.06 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 2bng h LEU 25 Cb 0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2bng h LEU 25 CO -0.01 0.97 0.10 0.78 0.09 0.00 0.00 178.44 180.37 2bng h ASN 26 N 0.66 0.89 -0.70 -0.43 2.35 -0.91 -2.51 115.58 114.93 2bng h ASN 26 Ca 0.09 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 2bng h ASN 26 Cb 0.73 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 2bng h ASN 26 CO 0.06 0.90 0.25 0.00 -1.65 0.00 0.00 177.43 176.98 2bng h ALA 27 N 1.21 0.91 -0.03 -0.83 0.00 -0.37 -0.14 119.26 120.02 2bng h ALA 27 Ca 0.18 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2bng h ALA 27 Cb 0.39 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2bng h ALA 27 CO 0.01 0.56 -0.21 -0.07 0.00 0.00 0.00 179.25 179.55 2bng h LEU 28 N 1.01 -0.61 -1.04 0.00 3.38 -1.03 0.29 115.31 117.32 2bng h LEU 28 Ca 0.23 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2bng h LEU 28 Cb 0.26 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2bng h LEU 28 CO -0.01 -0.27 0.49 -0.61 0.09 0.00 0.00 178.44 178.13 2bng h GLN 29 N -0.31 1.16 -0.01 1.13 4.15 -1.21 -2.63 115.11 117.38 2bng h GLN 29 Ca 0.07 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2bng h GLN 29 Cb 0.41 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2bng h GLN 29 CO -0.21 0.83 -0.06 0.09 -1.93 0.00 0.00 178.83 177.55 2bng n ASN 30 N -4.36 1.03 -3.16 -0.69 3.02 -0.08 -4.74 115.26 106.27 2bng n ASN 30 Ca 0.09 -1.18 -0.22 0.00 -0.03 0.00 0.00 54.58 53.24 2bng n ASN 30 Cb 0.08 0.01 0.05 0.00 -0.61 0.00 0.00 39.78 39.31 2bng n ASN 30 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bng n GLU 31 N -0.32 -6.12 -3.19 3.52 1.02 -0.08 -4.93 120.64 110.55 2bng n GLU 31 Ca 0.18 0.84 -0.45 0.00 -0.02 0.00 0.00 57.16 57.71 2bng n GLU 31 Cb 0.30 -5.70 -0.01 0.00 -0.02 0.00 0.00 31.44 26.02 2bng n GLU 31 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2bng s ASP 32 N -3.00 7.04 0.28 1.62 2.15 -0.21 -4.89 116.67 119.66 2bng s ASP 32 Ca 0.42 -3.02 0.15 0.00 0.43 0.00 0.00 52.55 50.52 2bng s ASP 32 Cb -0.19 -2.28 0.24 0.00 -0.30 0.00 0.00 42.92 40.39 2bng s ASP 32 CO 0.52 -0.57 1.52 -0.26 -0.17 0.00 0.00 175.17 176.21 2bng h PHE 33 N 7.35 0.00 -0.76 -5.34 0.04 -1.92 -2.08 116.94 114.23 2bng h PHE 33 Ca 0.19 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 2bng h PHE 33 Cb 0.93 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.05 2bng h PHE 33 CO 0.96 0.55 0.46 -0.44 -0.60 0.00 0.00 178.31 179.24 2bng h ASP 34 N 0.00 0.91 -0.36 2.17 3.45 -1.98 0.34 116.42 120.94 2bng h ASP 34 Ca -0.01 -0.06 -0.09 0.00 0.43 0.00 0.00 57.03 57.30 2bng h ASP 34 Cb 1.28 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.81 2bng h ASP 34 CO 0.07 0.70 -0.13 0.74 -1.57 0.00 0.00 179.24 179.05 2bng h THR 35 N 1.04 1.28 -0.39 0.35 2.02 -1.91 -0.40 112.91 114.90 2bng h THR 35 Ca 0.27 -1.23 0.08 0.00 0.77 0.00 0.00 66.41 66.30 2bng h THR 35 Cb -0.04 1.32 -0.08 0.00 -1.74 0.00 0.00 68.15 67.61 2bng h THR 35 CO -0.05 0.41 -0.12 0.58 0.37 0.00 0.00 175.52 176.71 2bng h VAL 36 N 0.52 0.57 -0.60 3.16 2.07 -1.29 0.42 116.25 121.10 2bng h VAL 36 Ca 0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.71 2bng h VAL 36 Cb 0.66 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 2bng h VAL 36 CO 0.04 0.00 0.17 0.44 0.02 0.00 0.00 177.57 178.24 2bng h ASP 37 N -0.03 0.08 0.62 0.57 3.32 -0.55 -2.69 116.42 117.74 2bng h ASP 37 Ca 0.19 0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.23 2bng h ASP 37 Cb 0.32 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2bng h ASP 37 CO -0.42 0.05 -0.54 0.00 -1.72 0.00 0.00 179.24 176.61 2bng h ALA 38 N 1.46 1.04 0.00 3.45 0.00 -0.48 -3.14 119.26 121.58 2bng h ALA 38 Ca 0.31 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2bng h ALA 38 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bng h ALA 38 CO -0.37 0.68 -0.45 0.00 0.00 0.00 0.00 179.25 179.11 2bng h ALA 39 N 1.46 0.91 -3.06 0.00 0.00 -0.60 -3.46 119.26 114.51 2bng h ALA 39 Ca -0.01 -0.41 -0.60 0.00 0.00 0.00 0.00 54.91 53.89 2bng h ALA 39 Cb 1.00 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 2bng h ALA 39 CO 0.07 0.56 -0.36 -0.51 0.00 0.00 0.00 179.25 179.02 2bng s LEU 40 N -7.02 4.19 0.71 0.00 1.43 -1.14 -0.44 118.68 116.41 2bng s LEU 40 Ca 0.01 0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.35 2bng s LEU 40 Cb 0.11 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 44.04 2bng s LEU 40 CO 0.71 0.06 1.13 -0.83 0.23 0.00 0.00 176.35 177.64 2bng s GLY 41 N 0.73 2.06 0.39 -3.19 0.00 0.92 -4.80 107.32 103.42 2bng s GLY 41 Ca 0.14 0.55 0.06 0.00 0.00 0.00 0.00 44.72 45.47 2bng s GLY 41 CO 0.04 0.92 2.03 -0.55 0.00 0.00 0.00 173.10 175.54 2bng h ASP 42 N -0.39 0.54 -0.55 1.64 3.45 -1.95 -2.34 116.42 116.82 2bng h ASP 42 Ca -0.46 -0.02 -0.10 0.00 0.43 0.00 0.00 57.03 56.88 2bng h ASP 42 Cb 1.25 -0.13 -0.06 0.00 -0.56 0.00 0.00 39.33 39.83 2bng h ASP 42 CO 0.52 0.41 0.10 0.47 -1.57 0.00 0.00 179.24 179.17 2bng n ASP 43 N -4.45 4.74 -4.54 6.45 10.43 -1.26 -2.19 116.55 125.73 2bng n ASP 43 Ca 0.04 -3.13 -0.57 0.00 2.57 0.00 0.00 54.79 53.70 2bng n ASP 43 Cb 0.07 -0.67 -0.07 0.00 1.84 0.00 0.00 41.12 42.29 2bng n ASP 43 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2bng n LEU 44 N -0.07 0.68 -4.58 0.64 7.94 -0.92 -4.61 117.00 116.08 2bng n LEU 44 Ca 0.32 1.14 -0.34 0.00 -1.11 0.00 0.00 56.01 56.02 2bng n LEU 44 Cb 1.19 -1.02 -0.11 0.00 0.53 0.00 0.00 43.42 44.01 2bng n LEU 44 CO 0.32 -1.53 -0.29 0.68 -1.11 0.00 0.00 177.39 175.46 2bng s VAL 45 N 0.32 4.43 -0.20 1.96 -7.23 -0.68 0.13 120.40 119.13 2bng s VAL 45 Ca 0.89 -0.16 0.02 0.00 -1.81 0.00 0.00 61.98 60.91 2bng s VAL 45 Cb -1.16 -2.98 0.03 0.00 0.56 0.00 0.00 36.38 32.84 2bng s VAL 45 CO 0.54 0.47 -0.17 -0.47 -0.31 0.00 0.00 175.10 175.16 2bng s TYR 46 N 0.40 2.90 -0.06 2.82 5.04 0.27 -1.41 117.35 127.31 2bng s TYR 46 Ca 0.00 -1.83 0.06 0.00 -2.44 0.00 0.00 57.07 52.86 2bng s TYR 46 Cb -0.13 -1.92 -0.01 0.00 0.35 0.00 0.00 41.96 40.25 2bng s TYR 46 CO 0.01 -0.83 -0.24 -1.21 -1.34 0.00 0.00 175.55 171.95 2bng s GLU 47 N 1.24 2.48 -0.40 4.97 2.02 -0.32 -0.64 118.70 128.06 2bng s GLU 47 Ca 0.01 -0.86 -0.13 0.00 0.02 0.00 0.00 54.97 54.01 2bng s GLU 47 Cb -0.15 -2.08 0.02 0.00 0.10 0.00 0.00 34.13 32.02 2bng s GLU 47 CO -0.11 0.34 0.26 -0.80 0.02 0.00 0.00 175.26 174.98 2bng s ASN 48 N -0.09 5.97 0.22 -0.19 0.01 -0.25 -1.09 114.94 119.52 2bng s ASN 48 Ca -0.05 -0.93 -0.30 0.00 -0.71 0.00 0.00 52.86 50.87 2bng s ASN 48 Cb -0.14 -2.11 -0.10 0.00 0.41 0.00 0.00 41.25 39.32 2bng s ASN 48 CO 0.04 -0.42 1.41 0.54 -1.51 0.00 0.00 177.10 177.15 2bng s VAL 49 N 1.63 2.84 0.00 1.60 0.11 -0.29 -0.13 120.40 126.17 2bng s VAL 49 Ca 0.04 0.69 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 2bng s VAL 49 Cb -0.19 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 2bng s VAL 49 CO 0.09 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 2bng n GLY 50 N 2.41 2.38 0.44 6.54 0.00 -1.26 -4.83 105.19 110.87 2bng n GLY 50 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2bng n GLY 50 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bng n PHE 51 N -2.00 0.00 -3.69 1.61 3.72 0.82 -5.11 117.46 112.81 2bng n PHE 51 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 2bng n PHE 51 Cb 0.00 0.06 -0.09 0.00 -0.94 0.00 0.00 39.48 38.51 2bng n PHE 51 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2bng s SER 52 N -4.06 -0.46 -0.05 4.37 1.04 -0.32 -4.97 113.70 109.24 2bng s SER 52 Ca 0.00 0.74 0.01 0.00 0.48 0.00 0.00 55.95 57.18 2bng s SER 52 Cb 0.00 0.78 0.02 0.00 0.10 0.00 0.00 66.02 66.92 2bng s SER 52 CO 0.00 -0.30 -0.06 -0.60 0.98 0.00 0.00 173.24 173.26 2bng s ARG 53 N -0.33 1.02 -0.03 4.02 3.52 -1.26 -1.10 118.95 124.80 2bng s ARG 53 Ca -0.05 -0.16 0.05 0.00 -0.13 0.00 0.00 55.73 55.45 2bng s ARG 53 Cb -0.03 -1.00 -0.01 0.00 -1.56 0.00 0.00 34.95 32.35 2bng s ARG 53 CO 0.03 -0.09 -0.17 0.42 -0.81 0.00 0.00 175.30 174.68 2bng s ILE 54 N 1.00 1.41 -0.12 4.11 1.01 0.19 -4.99 121.20 123.81 2bng s ILE 54 Ca -0.10 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 2bng s ILE 54 Cb -0.14 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 2bng s ILE 54 CO -0.00 0.40 -0.09 -0.13 0.00 0.00 0.00 174.94 175.12 2bng s ARG 55 N -0.23 3.29 0.00 2.79 0.52 -1.26 -0.56 118.95 123.50 2bng s ARG 55 Ca 0.03 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 2bng s ARG 55 Cb -0.09 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.68 2bng s ARG 55 CO 0.00 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.08 2bng n GLY 56 N 3.18 2.98 0.27 -3.53 0.00 0.12 -4.81 105.19 103.40 2bng n GLY 56 Ca -0.18 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 2bng n GLY 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bng h GLY 57 N 0.00 1.02 0.92 -0.02 0.00 -0.99 -2.46 103.07 101.54 2bng h GLY 57 Ca 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 47.33 46.30 2bng h GLY 57 CO 0.00 0.93 0.10 3.21 0.00 0.00 0.00 176.54 180.77 2bng h ARG 58 N 0.77 0.29 -0.30 4.80 2.47 -1.82 -0.43 114.38 120.15 2bng h ARG 58 Ca 0.07 -0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.77 2bng h ARG 58 Cb 0.96 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.20 2bng h ARG 58 CO 0.09 0.31 0.12 -0.09 0.56 0.00 0.00 179.97 180.97 2bng h ARG 59 N 0.20 0.26 -0.18 0.04 2.43 -1.87 -1.22 114.38 114.04 2bng h ARG 59 Ca 0.07 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2bng h ARG 59 Cb 0.12 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2bng h ARG 59 CO -0.01 0.17 0.06 1.15 -1.51 0.00 0.00 179.97 179.83 2bng h THR 60 N 0.27 1.19 -0.50 0.20 2.02 -1.39 -1.28 112.91 113.41 2bng h THR 60 Ca 0.13 -0.58 0.05 0.00 0.77 0.00 0.00 66.41 66.79 2bng h THR 60 Cb 0.08 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 2bng h THR 60 CO -0.12 0.18 0.22 0.00 0.37 0.00 0.00 175.52 176.17 2bng h ALA 61 N 0.88 0.63 -0.01 6.16 0.00 -1.02 -0.91 119.26 125.00 2bng h ALA 61 Ca 0.06 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2bng h ALA 61 Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2bng h ALA 61 CO -0.00 -0.15 -0.64 1.79 0.00 0.00 0.00 179.25 180.25 2bng h THR 62 N 0.44 1.45 -0.47 0.00 1.35 -1.07 -1.02 112.91 113.59 2bng h THR 62 Ca 0.23 -2.18 -0.00 0.00 -0.55 0.00 0.00 66.41 63.91 2bng h THR 62 Cb 0.19 2.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 2bng h THR 62 CO -0.19 0.62 0.28 0.25 -0.25 0.00 0.00 175.52 176.23 2bng h LEU 63 N 0.02 0.56 -0.23 3.87 5.85 -0.84 -0.57 115.31 123.97 2bng h LEU 63 Ca -0.01 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2bng h LEU 63 Cb 1.13 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2bng h LEU 63 CO 0.08 0.46 0.03 -0.07 -0.34 0.00 0.00 178.44 178.60 2bng h LEU 64 N 0.63 0.37 -0.95 2.25 3.38 -1.04 -3.09 115.31 116.84 2bng h LEU 64 Ca 0.17 -0.27 0.13 0.00 0.09 0.00 0.00 57.88 58.00 2bng h LEU 64 Cb -0.00 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.56 2bng h LEU 64 CO -0.03 0.54 0.57 -0.09 0.09 0.00 0.00 178.44 179.52 2bng h ARG 65 N 0.18 0.86 -2.31 1.13 2.43 -0.99 -3.28 114.38 112.39 2bng h ARG 65 Ca 0.07 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 58.99 2bng h ARG 65 Cb 0.34 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 2bng h ARG 65 CO 0.01 0.57 0.19 0.54 -1.51 0.00 0.00 179.97 179.76 2bng n ARG 66 N -4.69 1.76 -1.76 0.20 1.74 -0.24 -4.93 116.66 108.73 2bng n ARG 66 Ca 0.18 -0.92 0.00 0.00 -0.77 0.00 0.00 57.85 56.34 2bng n ARG 66 Cb 0.38 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 2bng n ARG 66 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2bng n GLN 68 N 2.74 -4.90 -0.27 5.56 7.27 -1.24 -4.91 117.38 121.62 2bng n GLN 68 Ca 0.38 3.53 0.00 0.00 0.07 0.00 0.00 57.00 60.98 2bng n GLN 68 Cb 0.68 -3.87 0.00 0.00 2.41 0.00 0.00 30.24 29.45 2bng n GLN 68 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2bng n GLY 69 N 0.61 1.06 0.30 1.69 0.00 -1.26 -4.82 105.19 102.78 2bng n GLY 69 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2bng n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bng n ARG 70 N -2.00 0.06 -4.09 1.61 5.12 -1.26 -4.99 116.66 111.12 2bng n ARG 70 Ca 0.00 0.02 -0.23 0.00 -1.93 0.00 0.00 57.85 55.71 2bng n ARG 70 Cb 0.00 -0.91 -0.17 0.00 -1.16 0.00 0.00 32.46 30.23 2bng n ARG 70 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2bng s VAL 71 N -2.05 0.68 0.26 1.55 0.11 -1.26 -4.44 120.40 115.24 2bng s VAL 71 Ca -0.04 -0.15 -0.00 0.00 -2.93 0.00 0.00 61.98 58.86 2bng s VAL 71 Cb 0.01 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 2bng s VAL 71 CO 0.06 0.28 0.45 -0.83 -3.33 0.00 0.00 175.10 171.73 2bng s GLY 72 N 1.26 1.61 0.00 6.54 0.00 0.23 -4.52 107.32 112.45 2bng s GLY 72 Ca -0.05 -0.86 0.07 0.00 0.00 0.00 0.00 44.72 43.88 2bng s GLY 72 CO -0.02 -0.81 -0.22 -1.36 0.00 0.00 0.00 173.10 170.69 2bng s PHE 73 N -2.03 1.98 -0.01 1.90 0.08 -1.26 -1.34 117.98 117.31 2bng s PHE 73 Ca 0.39 -0.38 0.05 0.00 0.12 0.00 0.00 56.93 57.11 2bng s PHE 73 Cb -0.10 -1.24 -0.01 0.00 -0.57 0.00 0.00 43.02 41.09 2bng s PHE 73 CO 0.31 0.02 -0.17 -1.21 -0.10 0.00 0.00 175.22 174.07 2bng s GLU 74 N -0.76 1.34 -0.05 0.44 2.02 -0.71 -4.44 118.70 116.53 2bng s GLU 74 Ca 0.09 -0.63 -0.01 0.00 0.02 0.00 0.00 54.97 54.43 2bng s GLU 74 Cb -0.09 -1.31 0.03 0.00 0.10 0.00 0.00 34.13 32.86 2bng s GLU 74 CO 0.00 0.35 0.01 0.08 0.02 0.00 0.00 175.26 175.73 2bng s VAL 75 N -0.45 0.24 -0.20 2.63 1.01 -1.26 -0.69 120.40 121.69 2bng s VAL 75 Ca 0.06 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 2bng s VAL 75 Cb -0.07 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.92 2bng s VAL 75 CO -0.00 0.22 -0.13 -0.75 0.00 0.00 0.00 175.10 174.44 2bng s LYS 76 N 1.77 3.18 -0.33 2.72 2.47 0.47 -4.97 119.74 125.05 2bng s LYS 76 Ca 0.01 -0.73 -0.14 0.00 -1.56 0.00 0.00 55.97 53.54 2bng s LYS 76 Cb -0.13 -2.76 -0.02 0.00 -1.46 0.00 0.00 37.83 33.46 2bng s LYS 76 CO -0.04 -0.19 0.32 0.42 0.16 0.00 0.00 175.35 176.03 2bng s ILE 77 N 1.33 5.20 -0.02 5.43 1.01 -1.26 -0.85 121.20 132.05 2bng s ILE 77 Ca 0.05 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 2bng s ILE 77 Cb -0.14 -3.77 -0.28 0.00 0.01 0.00 0.00 42.46 38.28 2bng s ILE 77 CO -0.08 -0.04 0.78 0.45 0.00 0.00 0.00 174.94 176.06 2bng h HIS 78 N 8.45 0.50 -2.67 3.97 3.86 -0.90 -3.48 115.15 124.88 2bng h HIS 78 Ca -0.31 -0.37 -0.10 0.00 -1.16 0.00 0.00 60.37 58.43 2bng h HIS 78 Cb 1.15 -0.02 -0.22 0.00 1.06 0.00 0.00 27.41 29.38 2bng h HIS 78 CO 0.69 1.46 -0.15 1.03 0.86 0.00 0.00 177.93 181.81 2bng s ARG 79 N -2.60 0.67 -0.20 2.45 0.52 -1.12 -5.01 118.95 113.65 2bng s ARG 79 Ca -0.11 0.27 -0.06 0.00 -0.52 0.00 0.00 55.73 55.31 2bng s ARG 79 Cb 0.06 0.31 0.09 0.00 0.52 0.00 0.00 34.95 35.94 2bng s ARG 79 CO 0.85 -0.15 0.41 -1.50 0.02 0.00 0.00 175.30 174.93 2bng s ILE 80 N -0.56 -0.64 0.25 1.52 2.07 -1.26 -0.66 121.20 121.93 2bng s ILE 80 Ca -0.07 0.15 0.03 0.00 -1.41 0.00 0.00 60.65 59.36 2bng s ILE 80 Cb -0.03 -0.67 -0.05 0.00 0.13 0.00 0.00 42.46 41.83 2bng s ILE 80 CO 0.03 0.06 0.02 -0.83 -1.91 0.00 0.00 174.94 172.31 2bng s GLY 81 N 2.60 1.67 0.06 1.50 0.00 -0.63 -4.99 107.32 107.53 2bng s GLY 81 Ca -0.00 -1.83 0.04 0.00 0.00 0.00 0.00 44.72 42.92 2bng s GLY 81 CO -0.13 -1.68 -0.11 0.00 0.00 0.00 0.00 173.10 171.18 2bng s ALA 82 N -3.45 0.88 -0.32 3.20 0.00 -1.26 -0.74 121.76 120.07 2bng s ALA 82 Ca 0.31 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 2bng s ALA 82 Cb 0.07 -0.03 0.12 0.00 0.00 0.00 0.00 23.12 23.27 2bng s ALA 82 CO 0.11 0.08 0.16 0.34 0.00 0.00 0.00 175.76 176.44 2bng s ASP 83 N -1.64 3.42 1.74 0.00 2.15 0.59 -4.99 116.67 117.95 2bng s ASP 83 Ca -0.06 -1.71 0.00 0.00 0.43 0.00 0.00 52.55 51.22 2bng s ASP 83 Cb -0.10 -0.47 0.00 0.00 -0.30 0.00 0.00 42.92 42.05 2bng s ASP 83 CO 0.01 -0.38 0.00 0.61 -0.17 0.00 0.00 175.17 175.24 2bng n GLY 84 N 4.70 3.28 0.01 2.66 0.00 -1.26 -1.57 105.19 113.02 2bng n GLY 84 Ca 0.01 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2bng n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bng n ALA 85 N 11.33 2.62 -2.32 4.61 0.00 -1.26 -4.52 120.51 130.96 2bng n ALA 85 Ca 0.00 -0.15 -0.39 0.00 0.00 0.00 0.00 53.44 52.90 2bng n ALA 85 Cb 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.01 2bng n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bng s ALA 86 N -3.02 3.58 -0.08 0.00 0.00 -0.61 -1.34 121.76 120.30 2bng s ALA 86 Ca 0.13 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.12 2bng s ALA 86 Cb 0.18 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.67 2bng s ALA 86 CO 0.58 0.36 -0.11 0.08 0.00 0.00 0.00 175.76 176.68 2bng s VAL 87 N -0.95 1.09 0.04 0.00 1.01 -0.49 -0.30 120.40 120.80 2bng s VAL 87 Ca 0.29 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2bng s VAL 87 Cb -0.19 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 2bng s VAL 87 CO 0.18 0.35 -0.14 -0.76 0.00 0.00 0.00 175.10 174.74 2bng s LEU 88 N 0.89 2.83 0.01 3.92 1.02 0.08 -0.16 118.68 127.28 2bng s LEU 88 Ca -0.10 -0.33 0.04 0.00 0.02 0.00 0.00 54.13 53.75 2bng s LEU 88 Cb -0.15 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.40 2bng s LEU 88 CO 0.01 0.26 -0.12 0.42 0.02 0.00 0.00 176.35 176.93 2bng s THR 89 N -0.98 0.95 -0.23 5.49 -4.23 0.61 -1.60 115.64 115.65 2bng s THR 89 Ca 0.16 -0.65 -0.05 0.00 -1.18 0.00 0.00 61.69 59.97 2bng s THR 89 Cb -0.11 -0.82 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 2bng s THR 89 CO 0.07 0.17 -0.00 -0.70 -0.54 0.00 0.00 174.62 173.61 2bng s GLU 90 N -0.55 3.45 0.18 3.99 2.12 0.17 -1.91 118.70 126.15 2bng s GLU 90 Ca 0.03 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 54.78 2bng s GLU 90 Cb -0.06 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 2bng s GLU 90 CO 0.00 -0.21 0.03 1.03 -0.54 0.00 0.00 175.26 175.57 2bng s ARG 91 N 1.52 1.15 -0.17 4.30 0.52 0.40 -0.14 118.95 126.53 2bng s ARG 91 Ca 0.06 -1.57 0.01 0.00 -0.52 0.00 0.00 55.73 53.70 2bng s ARG 91 Cb -0.15 -0.19 0.01 0.00 0.52 0.00 0.00 34.95 35.14 2bng s ARG 91 CO -0.01 -0.18 -0.17 0.99 0.02 0.00 0.00 175.30 175.95 2bng s THR 92 N -3.74 2.43 0.30 0.02 2.01 -0.03 -1.49 115.64 115.14 2bng s THR 92 Ca 0.27 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.51 2bng s THR 92 Cb 0.07 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 2bng s THR 92 CO 0.06 0.52 0.16 -1.81 -0.69 0.00 0.00 174.62 172.86 2bng s ASP 93 N 1.02 5.03 -0.03 3.53 -0.00 -0.42 -0.39 116.67 125.41 2bng s ASP 93 Ca -0.02 -0.53 -0.02 0.00 -0.00 0.00 0.00 52.55 51.99 2bng s ASP 93 Cb -0.15 -1.01 0.01 0.00 -0.00 0.00 0.00 42.92 41.78 2bng s ASP 93 CO -0.05 -0.17 0.08 0.00 -0.00 0.00 0.00 175.17 175.03 2bng s ALA 94 N -2.29 -0.15 -0.13 5.23 0.00 0.14 -1.96 121.76 122.59 2bng s ALA 94 Ca 0.36 0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 2bng s ALA 94 Cb -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 2bng s ALA 94 CO 0.24 -0.06 0.09 -0.51 0.00 0.00 0.00 175.76 175.51 2bng s LEU 95 N 0.35 4.04 -0.16 0.00 1.43 0.13 -1.73 118.68 122.75 2bng s LEU 95 Ca -0.03 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 2bng s LEU 95 Cb -0.04 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.23 2bng s LEU 95 CO -0.01 0.33 -0.10 -0.63 0.23 0.00 0.00 176.35 176.16 2bng s ILE 96 N -0.56 1.41 -0.31 -0.59 1.01 -0.45 -0.23 121.20 121.47 2bng s ILE 96 Ca 0.11 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2bng s ILE 96 Cb -0.12 -1.42 0.09 0.00 0.01 0.00 0.00 42.46 41.02 2bng s ILE 96 CO 0.02 0.32 0.05 -0.63 0.00 0.00 0.00 174.94 174.69 2bng s ILE 97 N 1.53 1.66 0.00 2.92 1.01 -0.09 -0.60 121.20 127.63 2bng s ILE 97 Ca 0.03 -1.81 0.00 0.00 0.00 0.00 0.00 60.65 58.86 2bng s ILE 97 Cb -0.14 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.16 2bng s ILE 97 CO -0.09 -0.53 0.00 0.61 0.00 0.00 0.00 174.94 174.93 2bng n GLY 98 N 4.53 3.37 0.06 6.18 0.00 -1.26 -1.59 105.19 116.49 2bng n GLY 98 Ca -0.01 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.24 2bng n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bng n PRO 99 N 14.00 0.16 -2.70 1.61 -0.04 -1.26 -4.76 135.00 142.01 2bng n PRO 99 Ca 0.00 0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 63.16 2bng n PRO 99 Cb 0.00 -1.69 -0.02 0.00 -0.04 0.00 0.00 33.50 31.75 2bng n PRO 99 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2bng s LEU 100 N -3.95 4.03 -0.17 1.53 2.96 -0.62 -4.85 118.68 117.62 2bng s LEU 100 Ca 0.12 1.16 -0.01 0.00 -0.22 0.00 0.00 54.13 55.18 2bng s LEU 100 Cb 0.15 -3.47 -0.00 0.00 0.50 0.00 0.00 46.19 43.37 2bng s LEU 100 CO 0.57 -0.73 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.15 2bng s ARG 101 N 3.31 3.27 -0.25 1.98 3.52 -1.26 -0.92 118.95 128.60 2bng s ARG 101 Ca 0.43 -0.71 -0.01 0.00 -0.13 0.00 0.00 55.73 55.31 2bng s ARG 101 Cb -0.14 -2.71 0.04 0.00 -1.56 0.00 0.00 34.95 30.57 2bng s ARG 101 CO 0.10 -0.01 -0.07 0.08 -0.81 0.00 0.00 175.30 174.59 2bng s VAL 102 N 0.92 2.72 -0.01 7.11 1.01 0.68 -4.08 120.40 128.75 2bng s VAL 102 Ca -0.03 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.79 2bng s VAL 102 Cb -0.15 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 2bng s VAL 102 CO -0.01 0.13 -0.04 -1.58 0.00 0.00 0.00 175.10 173.61 2bng s GLN 103 N 1.27 2.68 -0.13 2.72 0.74 -1.26 -0.69 119.66 124.99 2bng s GLN 103 Ca -0.02 -0.65 -0.30 0.00 0.05 0.00 0.00 55.36 54.44 2bng s GLN 103 Cb -0.17 -2.59 0.11 0.00 1.10 0.00 0.00 33.01 31.45 2bng s GLN 103 CO -0.05 0.62 0.89 -0.59 -0.55 0.00 0.00 175.29 175.61 2bng s PHE 104 N -1.01 -0.48 0.44 1.67 -0.12 -0.83 -4.29 117.98 113.36 2bng s PHE 104 Ca 0.17 0.85 -0.23 0.00 -0.05 0.00 0.00 56.93 57.67 2bng s PHE 104 Cb -0.11 0.43 -0.08 0.00 -0.63 0.00 0.00 43.02 42.63 2bng s PHE 104 CO 0.08 -0.43 1.12 1.67 -0.05 0.00 0.00 175.22 177.61 2bng s TRP 105 N -1.04 3.02 -0.02 3.49 1.48 -1.26 -1.30 118.94 123.30 2bng s TRP 105 Ca -0.05 1.57 0.01 0.00 -1.06 0.00 0.00 56.10 56.58 2bng s TRP 105 Cb -0.01 -3.28 0.01 0.00 -1.16 0.00 0.00 33.47 29.04 2bng s TRP 105 CO 0.04 -1.17 -0.04 0.08 -4.06 0.00 0.00 176.95 171.80 2bng s VAL 106 N -1.61 0.40 -0.24 -0.66 1.01 -0.56 -4.56 120.40 114.18 2bng s VAL 106 Ca 0.62 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.40 2bng s VAL 106 Cb -0.26 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2bng s VAL 106 CO 0.31 0.15 0.03 0.00 0.00 0.00 0.00 175.10 175.59 2bng s GLY 108 N 1.56 1.66 -0.10 0.00 0.00 -0.80 -0.42 107.32 109.21 2bng s GLY 108 Ca 0.06 -0.86 -0.00 0.00 0.00 0.00 0.00 44.72 43.92 2bng s GLY 108 CO 0.01 -0.26 -0.09 -1.34 0.00 0.00 0.00 173.10 171.42 2bng s VAL 109 N 0.05 3.47 0.13 1.40 -7.23 0.69 -0.29 120.40 118.63 2bng s VAL 109 Ca -0.02 -0.54 0.07 0.00 -1.81 0.00 0.00 61.98 59.68 2bng s VAL 109 Cb -0.14 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2bng s VAL 109 CO 0.03 0.55 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.85 2bng s PHE 110 N -0.19 1.57 -0.08 2.82 0.40 0.78 -0.28 117.98 123.00 2bng s PHE 110 Ca 0.02 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 55.87 2bng s PHE 110 Cb -0.13 -0.82 0.00 0.00 0.51 0.00 0.00 43.02 42.59 2bng s PHE 110 CO 0.03 0.21 -0.19 -1.21 0.70 0.00 0.00 175.22 174.76 2bng s GLU 111 N -2.59 2.33 -0.06 0.44 2.02 -0.72 -1.39 118.70 118.72 2bng s GLU 111 Ca 0.10 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 54.49 2bng s GLU 111 Cb -0.06 -1.84 -0.01 0.00 0.10 0.00 0.00 34.13 32.32 2bng s GLU 111 CO 0.04 0.14 -0.23 0.54 0.02 0.00 0.00 175.26 175.77 2bng s VAL 112 N 0.40 1.89 -0.16 2.63 0.11 -0.45 -0.16 120.40 124.67 2bng s VAL 112 Ca -0.14 -0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 57.92 2bng s VAL 112 Cb -0.16 -1.61 0.04 0.00 -1.53 0.00 0.00 36.38 33.12 2bng s VAL 112 CO 0.06 0.53 -0.01 -0.62 -3.33 0.00 0.00 175.10 171.72 2bng s ASP 113 N -0.06 2.62 -1.11 3.54 2.15 0.11 -4.72 116.67 119.20 2bng s ASP 113 Ca -0.05 -0.60 -0.05 0.00 0.43 0.00 0.00 52.55 52.27 2bng s ASP 113 Cb -0.14 -0.72 0.01 0.00 -0.30 0.00 0.00 42.92 41.77 2bng s ASP 113 CO 0.04 -0.22 0.96 0.47 -0.17 0.00 0.00 175.17 176.24 2bng n ASP 114 N 4.98 -4.68 0.00 -0.34 10.43 -1.26 -1.40 116.55 124.29 2bng n ASP 114 Ca -0.10 -0.48 0.00 0.00 2.57 0.00 0.00 54.79 56.78 2bng n ASP 114 Cb 0.48 -4.36 0.00 0.00 1.84 0.00 0.00 41.12 39.08 2bng n ASP 114 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2bng n GLY 115 N -1.59 1.67 3.72 0.44 0.00 -1.26 -5.00 105.19 103.17 2bng n GLY 115 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 2bng n GLY 115 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bng s ARG 116 N -0.09 3.17 -0.20 1.61 1.81 -0.49 -4.84 118.95 119.92 2bng s ARG 116 Ca 0.00 -0.34 -0.29 0.00 -1.72 0.00 0.00 55.73 53.38 2bng s ARG 116 Cb 0.00 -2.92 0.00 0.00 -0.45 0.00 0.00 34.95 31.58 2bng s ARG 116 CO 0.00 0.69 1.07 0.42 -0.68 0.00 0.00 175.30 176.80 2bng s ILE 117 N -0.81 4.62 -0.06 1.52 1.01 0.42 0.09 121.20 127.98 2bng s ILE 117 Ca 0.13 1.95 0.13 0.00 0.00 0.00 0.00 60.65 62.85 2bng s ILE 117 Cb -0.12 -4.26 -0.19 0.00 0.01 0.00 0.00 42.46 37.90 2bng s ILE 117 CO 0.03 -0.14 0.30 0.35 0.00 0.00 0.00 174.94 175.47 2bng n THR 118 N 5.19 0.00 -4.28 2.92 -2.24 0.78 -0.06 114.28 116.59 2bng n THR 118 Ca 0.12 -0.28 -0.19 0.00 -2.27 0.00 0.00 64.05 61.43 2bng n THR 118 Cb 0.46 0.27 -0.15 0.00 -2.10 0.00 0.00 70.33 68.81 2bng n THR 118 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2bng s LEU 119 N -3.78 1.82 -0.21 3.22 2.96 -1.10 -1.69 118.68 119.90 2bng s LEU 119 Ca -0.04 -0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 2bng s LEU 119 Cb 0.08 -0.43 0.08 0.00 0.50 0.00 0.00 46.19 46.41 2bng s LEU 119 CO 0.53 0.05 0.12 0.86 -1.32 0.00 0.00 176.35 176.59 2bng s TRP 120 N 0.14 0.16 -0.27 5.38 -0.00 -0.50 -1.76 118.94 122.08 2bng s TRP 120 Ca -0.02 -0.41 0.02 0.00 -0.00 0.00 0.00 56.10 55.69 2bng s TRP 120 Cb -0.07 -0.71 0.07 0.00 -0.00 0.00 0.00 33.47 32.77 2bng s TRP 120 CO 0.00 -0.62 -0.02 0.50 -0.00 0.00 0.00 176.95 176.81 2bng s ARG 121 N 2.16 1.59 -0.19 5.86 3.52 0.61 -1.17 118.95 131.33 2bng s ARG 121 Ca 0.05 -1.29 -0.12 0.00 -0.13 0.00 0.00 55.73 54.24 2bng s ARG 121 Cb -0.16 -2.72 -0.05 0.00 -1.56 0.00 0.00 34.95 30.46 2bng s ARG 121 CO -0.18 -0.73 0.21 -0.51 -0.81 0.00 0.00 175.30 173.29 2bng s ASP 122 N 1.24 6.31 -0.10 -2.12 1.01 -0.25 -0.22 116.67 122.55 2bng s ASP 122 Ca -0.00 0.35 -0.01 0.00 0.71 0.00 0.00 52.55 53.60 2bng s ASP 122 Cb -0.19 -2.14 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 2bng s ASP 122 CO -0.09 0.13 -0.05 -0.31 0.21 0.00 0.00 175.17 175.06 2bng s TYR 123 N 0.49 3.00 0.33 4.23 1.51 0.44 -1.14 117.35 126.21 2bng s TYR 123 Ca 0.12 -0.05 -0.14 0.00 -1.01 0.00 0.00 57.07 56.00 2bng s TYR 123 Cb -0.12 -1.79 0.03 0.00 -0.11 0.00 0.00 41.96 39.97 2bng s TYR 123 CO 0.01 0.25 0.67 -0.59 -1.11 0.00 0.00 175.55 174.78 2bng s PHE 124 N -0.49 0.27 -0.13 2.71 -0.71 -1.26 -0.95 117.98 117.42 2bng s PHE 124 Ca 0.08 -0.77 0.02 0.00 -1.04 0.00 0.00 56.93 55.22 2bng s PHE 124 Cb -0.12 0.53 -0.00 0.00 -1.21 0.00 0.00 43.02 42.22 2bng s PHE 124 CO 0.02 -1.33 -0.20 0.34 -1.34 0.00 0.00 175.22 172.72 2bng s ASP 125 N -3.06 3.39 0.26 1.98 2.15 -1.26 -5.01 116.67 115.12 2bng s ASP 125 Ca 0.18 -0.51 -0.04 0.00 0.43 0.00 0.00 52.55 52.61 2bng s ASP 125 Cb -0.04 -1.49 0.32 0.00 -0.30 0.00 0.00 42.92 41.42 2bng s ASP 125 CO 0.12 0.12 1.90 -0.37 -0.17 0.00 0.00 175.17 176.77 2bng h VAL 126 N 5.67 1.24 -0.20 1.11 -1.51 -2.00 -2.80 116.25 117.77 2bng h VAL 126 Ca -0.27 -0.56 -0.00 0.00 -1.23 0.00 0.00 66.70 64.64 2bng h VAL 126 Cb 1.21 0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.45 2bng h VAL 126 CO 0.53 0.26 0.11 0.22 -1.23 0.00 0.00 177.57 177.46 2bng h TYR 127 N 1.16 0.28 0.00 5.19 3.20 -2.05 0.52 116.97 125.27 2bng h TYR 127 Ca 0.30 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2bng h TYR 127 Cb -0.01 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.18 2bng h TYR 127 CO 0.01 0.26 0.00 -3.47 -1.64 0.00 0.00 178.16 173.32 2bng n ASP 128 N -4.89 0.01 0.00 -2.11 2.03 -1.06 -1.11 116.55 109.43 2bng n ASP 128 Ca -0.04 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.26 2bng n ASP 128 Cb 0.08 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 2bng n ASP 128 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2bng n PHE 130 N 0.71 0.00 -0.32 -0.67 7.35 0.18 -1.22 117.46 123.49 2bng n PHE 130 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 2bng n PHE 130 Cb 0.00 0.00 0.12 0.00 0.35 0.00 0.00 39.48 39.95 2bng n PHE 130 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2bng h LYS 131 N 0.00 1.22 -0.75 -4.13 1.57 -1.35 -1.06 116.57 112.08 2bng h LYS 131 Ca 0.00 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 2bng h LYS 131 Cb 0.00 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 2bng h LYS 131 CO 0.00 0.87 0.30 0.78 -0.57 0.00 0.00 179.45 180.83 2bng h GLY 132 N 1.25 1.18 0.93 3.86 0.00 -1.35 -1.35 103.07 107.60 2bng h GLY 132 Ca 0.32 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 2bng h GLY 132 CO -0.06 0.59 0.03 -2.00 0.00 0.00 0.00 176.54 175.11 2bng h LEU 133 N 1.08 0.07 -0.33 3.11 5.85 -1.61 -0.32 115.31 123.15 2bng h LEU 133 Ca 0.25 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.92 2bng h LEU 133 Cb 0.20 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2bng h LEU 133 CO -0.02 0.12 0.16 -0.07 -0.34 0.00 0.00 178.44 178.29 2bng h LEU 134 N 0.01 0.23 -1.05 2.25 3.38 -0.93 0.10 115.31 119.29 2bng h LEU 134 Ca 0.02 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2bng h LEU 134 Cb 0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2bng h LEU 134 CO -0.00 0.17 0.64 -0.09 0.09 0.00 0.00 178.44 179.24 2bng h ARG 135 N 0.33 1.20 -0.43 1.13 1.12 -1.22 0.95 114.38 117.46 2bng h ARG 135 Ca 0.14 -0.07 -0.11 0.00 -1.11 0.00 0.00 59.98 58.83 2bng h ARG 135 Cb 0.06 -0.27 -0.01 0.00 -0.01 0.00 0.00 29.97 29.74 2bng h ARG 135 CO -0.11 0.80 -0.14 0.78 -3.11 0.00 0.00 179.97 178.19 2bng h GLY 136 N 1.24 0.93 1.06 2.80 0.00 -0.07 -1.13 103.07 107.89 2bng h GLY 136 Ca 0.38 -0.79 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 2bng h GLY 136 CO -0.11 0.72 -0.17 1.41 0.00 0.00 0.00 176.54 178.39 2bng h LEU 137 N 0.68 0.93 -0.46 3.11 3.38 -0.52 -2.60 115.31 119.82 2bng h LEU 137 Ca 0.10 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2bng h LEU 137 Cb 0.69 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2bng h LEU 137 CO 0.05 1.11 0.25 0.58 0.09 0.00 0.00 178.44 180.52 2bng h VAL 138 N 0.75 1.17 -0.04 1.22 2.07 -0.78 -2.77 116.25 117.87 2bng h VAL 138 Ca 0.11 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2bng h VAL 138 Cb 0.73 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2bng h VAL 138 CO 0.06 0.18 0.04 0.00 0.02 0.00 0.00 177.57 177.87 2bng h ALA 139 N 1.10 1.64 0.00 1.67 0.00 -1.07 0.44 119.26 123.04 2bng h ALA 139 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2bng h ALA 139 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2bng h ALA 139 CO -0.03 -0.06 -0.06 -0.07 0.00 0.00 0.00 179.25 179.03 2bng h LEU 140 N 0.00 0.00 0.00 0.00 4.07 -1.16 -2.77 115.31 115.45 2bng h LEU 140 Ca 0.02 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.77 2bng h LEU 140 Cb 0.10 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 2bng h LEU 140 CO -0.00 0.06 -1.78 0.52 -1.08 0.00 0.00 178.44 176.16 2bng n VAL 141 N -4.08 0.78 -3.90 1.22 0.31 -0.49 -4.73 118.33 107.44 2bng n VAL 141 Ca -0.03 -0.35 -0.31 0.00 -0.01 0.00 0.00 64.34 63.65 2bng n VAL 141 Cb 0.14 -0.92 -0.13 0.00 -0.91 0.00 0.00 33.84 32.03 2bng n VAL 141 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2bng s VAL 142 N -2.27 2.88 -0.99 2.52 1.01 0.03 -5.03 120.40 118.54 2bng s VAL 142 Ca -0.15 -3.55 -0.25 0.00 0.00 0.00 0.00 61.98 58.03 2bng s VAL 142 Cb 0.04 -2.94 -0.14 0.00 0.00 0.00 0.00 36.38 33.34 2bng s VAL 142 CO 0.35 -0.87 2.13 -2.84 0.00 0.00 0.00 175.10 173.87 2bng s PRO 143 N -0.60 1.82 0.00 2.72 0.02 -1.05 -4.21 135.00 133.70 2bng s PRO 143 Ca 0.19 -0.30 0.00 0.00 0.02 0.00 0.00 61.00 60.92 2bng s PRO 143 Cb -0.19 -4.99 0.00 0.00 0.02 0.00 0.00 34.50 29.33 2bng s PRO 143 CO -0.05 -4.50 0.00 0.45 -0.33 0.00 0.00 177.00 172.57