#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pmc s ASP 3 N 0.00 6.85 0.00 0.00 3.68 -1.26 -4.91 116.67 121.04 2pmc s ASP 3 Ca 0.00 2.01 0.11 0.00 2.13 0.00 0.00 52.55 56.79 2pmc s ASP 3 Cb 0.00 -2.55 0.53 0.00 -1.45 0.00 0.00 42.92 39.46 2pmc s ASP 3 CO 0.00 -0.76 1.36 0.29 0.13 0.00 0.00 175.17 176.19 2pmc n LYS 4 N 6.03 1.18 -0.00 4.34 4.76 -1.26 -2.49 118.16 130.71 2pmc n LYS 4 Ca 0.14 -0.27 0.07 0.00 -2.87 0.00 0.00 58.31 55.37 2pmc n LYS 4 Cb 0.44 -1.18 -0.09 0.00 -1.84 0.00 0.00 35.03 32.36 2pmc n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2pmc n GLU 5 N -0.40 1.93 -1.56 1.97 -0.58 -1.26 -4.47 120.64 116.27 2pmc n GLU 5 Ca 0.08 -0.04 -0.52 0.00 -0.42 0.00 0.00 57.16 56.26 2pmc n GLU 5 Cb 0.10 -1.19 -0.06 0.00 -0.57 0.00 0.00 31.44 29.72 2pmc n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2pmc n LEU 6 N -1.51 1.20 -4.68 -4.62 7.94 -1.04 -4.80 117.00 109.50 2pmc n LEU 6 Ca 0.01 1.13 -0.43 0.00 -1.11 0.00 0.00 56.01 55.62 2pmc n LEU 6 Cb 0.25 -1.14 -0.02 0.00 0.53 0.00 0.00 43.42 43.04 2pmc n LEU 6 CO 0.28 -1.35 0.91 -0.75 -1.11 0.00 0.00 177.39 175.37 2pmc s LYS 7 N 0.10 4.35 -0.12 1.96 2.20 -1.26 -4.71 119.74 122.25 2pmc s LYS 7 Ca 0.82 1.52 -0.07 0.00 -0.36 0.00 0.00 55.97 57.88 2pmc s LYS 7 Cb -0.98 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 31.70 2pmc s LYS 7 CO 0.50 -0.47 0.13 -0.06 -0.36 0.00 0.00 175.35 175.10 2pmc s PHE 8 N 2.48 3.56 -0.42 4.03 0.40 -0.59 -2.20 117.98 125.25 2pmc s PHE 8 Ca 0.51 0.50 0.03 0.00 -0.60 0.00 0.00 56.93 57.37 2pmc s PHE 8 Cb -0.20 -1.94 0.11 0.00 0.51 0.00 0.00 43.02 41.50 2pmc s PHE 8 CO 0.17 0.70 0.15 -1.17 0.70 0.00 0.00 175.22 175.77 2pmc s LEU 9 N -0.97 4.15 -0.25 -0.37 2.96 -0.59 0.40 118.68 124.01 2pmc s LEU 9 Ca 0.15 -2.48 -0.29 0.00 -0.22 0.00 0.00 54.13 51.28 2pmc s LEU 9 Cb -0.12 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 2pmc s LEU 9 CO 0.04 -0.32 1.32 -0.69 -1.32 0.00 0.00 176.35 175.38 2pmc s VAL 10 N 0.46 4.14 -0.20 1.68 1.01 -0.21 -2.03 120.40 125.25 2pmc s VAL 10 Ca 0.14 1.32 -0.04 0.00 0.00 0.00 0.00 61.98 63.41 2pmc s VAL 10 Cb -0.22 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 2pmc s VAL 10 CO -0.06 -0.35 -0.04 -0.69 0.00 0.00 0.00 175.10 173.96 2pmc s VAL 11 N 4.16 3.52 -0.28 2.92 1.01 0.23 -2.35 120.40 129.63 2pmc s VAL 11 Ca 0.57 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 2pmc s VAL 11 Cb -0.19 -2.58 0.09 0.00 0.00 0.00 0.00 36.38 33.70 2pmc s VAL 11 CO 0.21 0.45 0.82 -0.62 0.00 0.00 0.00 175.10 175.96 2pmc s ASP 12 N 1.08 -0.68 0.00 3.32 -1.08 0.12 -1.01 116.67 118.41 2pmc s ASP 12 Ca 0.01 1.25 0.19 0.00 -0.52 0.00 0.00 52.55 53.48 2pmc s ASP 12 Cb -0.15 1.27 0.94 0.00 -1.46 0.00 0.00 42.92 43.53 2pmc s ASP 12 CO 0.00 -0.21 1.57 -0.90 0.52 0.00 0.00 175.17 176.15 2pmc n ASP 13 N 2.97 0.00 -4.52 -0.34 5.75 -1.20 -4.10 116.55 115.10 2pmc n ASP 13 Ca -0.15 0.03 -0.35 0.00 -0.01 0.00 0.00 54.79 54.30 2pmc n ASP 13 Cb 0.56 -0.29 -0.11 0.00 -1.03 0.00 0.00 41.12 40.25 2pmc n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2pmc s PHE 14 N -2.58 3.13 0.39 2.11 0.40 -1.26 -4.98 117.98 115.19 2pmc s PHE 14 Ca 0.18 -0.22 0.16 0.00 -0.60 0.00 0.00 56.93 56.44 2pmc s PHE 14 Cb 0.13 -2.11 0.91 0.00 0.51 0.00 0.00 43.02 42.46 2pmc s PHE 14 CO 0.29 -0.10 1.90 0.66 0.70 0.00 0.00 175.22 178.67 2pmc h SER 15 N 7.30 0.00 -0.15 1.36 4.64 -1.99 -2.01 113.55 122.71 2pmc h SER 15 Ca -0.36 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.91 2pmc h SER 15 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2pmc h SER 15 CO 0.63 0.28 -0.11 0.74 -0.87 0.00 0.00 176.83 177.51 2pmc h THR 16 N 0.00 1.33 -0.47 2.95 2.02 -1.95 -0.86 112.91 115.94 2pmc h THR 16 Ca -0.00 -1.21 -0.13 0.00 0.77 0.00 0.00 66.41 65.83 2pmc h THR 16 Cb 0.53 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 2pmc h THR 16 CO 0.04 0.36 -0.21 -0.03 0.37 0.00 0.00 175.52 176.04 2pmc h MET 17 N -0.03 0.97 -0.63 6.66 -1.53 -1.94 -1.00 114.93 117.43 2pmc h MET 17 Ca 0.03 -0.41 0.13 0.00 -3.44 0.00 0.00 59.70 56.00 2pmc h MET 17 Cb 0.61 -0.03 -0.10 0.00 -0.55 0.00 0.00 31.60 31.53 2pmc h MET 17 CO 0.03 1.08 0.09 0.00 0.14 0.00 0.00 176.91 178.25 2pmc h ARG 18 N 0.81 0.20 -0.26 0.39 3.08 -1.20 0.23 114.38 117.63 2pmc h ARG 18 Ca 0.11 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 2pmc h ARG 18 Cb 0.78 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2pmc h ARG 18 CO 0.06 0.13 0.02 -0.09 -1.07 0.00 0.00 179.97 179.03 2pmc h ARG 19 N 0.21 0.45 -0.58 0.04 2.43 -0.93 -1.70 114.38 114.29 2pmc h ARG 19 Ca 0.34 -0.13 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 2pmc h ARG 19 Cb 0.54 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.99 2pmc h ARG 19 CO -0.47 0.59 0.28 0.82 -1.51 0.00 0.00 179.97 179.68 2pmc h ILE 20 N 0.25 0.90 -0.47 1.20 2.04 -0.24 -0.44 117.51 120.75 2pmc h ILE 20 Ca 0.08 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 2pmc h ILE 20 Cb 0.37 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2pmc h ILE 20 CO 0.01 0.09 0.11 0.58 0.00 0.00 0.00 178.15 178.94 2pmc h VAL 21 N 0.52 1.24 -0.52 1.67 2.07 -1.00 -2.75 116.25 117.48 2pmc h VAL 21 Ca 0.27 -0.83 0.10 0.00 0.82 0.00 0.00 66.70 67.06 2pmc h VAL 21 Cb 0.23 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 30.80 2pmc h VAL 21 CO -0.21 0.30 0.01 -0.09 0.02 0.00 0.00 177.57 177.59 2pmc h ARG 22 N 0.63 0.12 -0.73 1.57 2.43 -0.43 -1.27 114.38 116.70 2pmc h ARG 22 Ca 0.15 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 2pmc h ARG 22 Cb 0.33 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 2pmc h ARG 22 CO 0.00 0.08 0.43 -0.91 -1.51 0.00 0.00 179.97 178.06 2pmc h ASN 23 N 0.12 0.66 0.08 -3.80 4.21 -0.99 0.14 115.58 116.01 2pmc h ASN 23 Ca 0.26 0.02 -0.10 0.00 1.21 0.00 0.00 56.30 57.70 2pmc h ASN 23 Cb 0.40 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 2pmc h ASN 23 CO -0.43 0.43 -0.32 -0.07 -1.29 0.00 0.00 177.43 175.75 2pmc h LEU 24 N 0.80 0.35 -0.14 1.61 3.38 -0.97 1.06 115.31 121.40 2pmc h LEU 24 Ca 0.32 -0.13 -0.23 0.00 0.09 0.00 0.00 57.88 57.93 2pmc h LEU 24 Cb 0.16 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.82 2pmc h LEU 24 CO -0.17 0.66 -0.82 -0.07 0.09 0.00 0.00 178.44 178.13 2pmc h LEU 25 N 0.30 0.94 -1.38 1.67 3.38 -0.96 -0.12 115.31 119.13 2pmc h LEU 25 Ca 0.04 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.37 2pmc h LEU 25 Cb 0.71 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2pmc h LEU 25 CO 0.05 1.44 0.32 0.50 0.09 0.00 0.00 178.44 180.84 2pmc h LYS 26 N 0.52 0.74 0.00 1.13 3.64 -0.59 0.52 116.57 122.53 2pmc h LYS 26 Ca -0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2pmc h LYS 26 Cb 1.46 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2pmc h LYS 26 CO 0.17 0.52 0.00 -1.91 -2.27 0.00 0.00 179.45 175.96 2pmc n GLU 27 N -4.42 0.17 -0.06 1.90 2.13 0.36 -2.07 120.64 118.66 2pmc n GLU 27 Ca 0.05 0.40 0.04 0.00 0.66 0.00 0.00 57.16 58.32 2pmc n GLU 27 Cb 0.08 -1.83 0.07 0.00 0.27 0.00 0.00 31.44 30.03 2pmc n GLU 27 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2pmc n LEU 28 N -2.16 2.13 0.00 4.31 4.77 -0.02 -5.02 117.00 121.01 2pmc n LEU 28 Ca 0.02 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 2pmc n LEU 28 Cb 0.22 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2pmc n LEU 28 CO 0.19 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2pmc n GLY 29 N 0.41 2.29 3.57 -0.72 0.00 0.16 -5.00 105.19 105.90 2pmc n GLY 29 Ca 0.07 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2pmc n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pmc s PHE 30 N -2.35 1.91 -0.97 1.61 0.08 -0.70 -4.73 117.98 112.82 2pmc s PHE 30 Ca 0.00 0.51 0.23 0.00 0.12 0.00 0.00 56.93 57.78 2pmc s PHE 30 Cb 0.00 -4.02 0.96 0.00 -0.57 0.00 0.00 43.02 39.39 2pmc s PHE 30 CO 0.00 -1.37 1.72 0.09 -0.10 0.00 0.00 175.22 175.56 2pmc n ASN 31 N 14.24 0.06 -4.55 1.36 3.02 -1.26 -4.17 115.26 123.96 2pmc n ASN 31 Ca 0.43 0.51 -0.41 0.00 -0.03 0.00 0.00 54.58 55.08 2pmc n ASN 31 Cb 0.47 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 2pmc n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2pmc s ASN 32 N -3.11 6.36 0.05 6.41 3.84 -1.26 -4.97 114.94 122.26 2pmc s ASN 32 Ca 0.11 -1.06 0.04 0.00 0.21 0.00 0.00 52.86 52.15 2pmc s ASN 32 Cb 0.14 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 38.27 2pmc s ASN 32 CO 0.42 -1.62 -0.11 -0.69 -2.79 0.00 0.00 177.10 172.30 2pmc s VAL 33 N 5.16 0.86 0.11 -5.21 1.01 -1.26 -1.54 120.40 119.53 2pmc s VAL 33 Ca 0.40 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2pmc s VAL 33 Cb -0.04 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2pmc s VAL 33 CO 0.01 -0.22 -0.09 -1.61 0.00 0.00 0.00 175.10 173.18 2pmc s GLU 34 N -1.47 0.89 0.10 2.72 0.41 0.16 -4.92 118.70 116.60 2pmc s GLU 34 Ca -0.04 -1.25 0.09 0.00 -0.41 0.00 0.00 54.97 53.36 2pmc s GLU 34 Cb -0.09 -0.50 -0.04 0.00 -1.78 0.00 0.00 34.13 31.73 2pmc s GLU 34 CO 0.01 0.06 -0.23 -1.21 -0.49 0.00 0.00 175.26 173.40 2pmc s GLU 35 N -3.17 1.27 -0.04 1.61 2.02 -1.26 -1.05 118.70 118.08 2pmc s GLU 35 Ca 0.09 -1.21 -0.14 0.00 0.02 0.00 0.00 54.97 53.73 2pmc s GLU 35 Cb -0.00 -1.60 0.03 0.00 0.10 0.00 0.00 34.13 32.65 2pmc s GLU 35 CO -0.01 0.38 0.32 0.00 0.02 0.00 0.00 175.26 175.97 2pmc s ALA 36 N -1.08 -0.80 -1.46 5.21 0.00 -0.99 -4.95 121.76 117.69 2pmc s ALA 36 Ca 0.09 0.48 0.18 0.00 0.00 0.00 0.00 51.96 52.72 2pmc s ALA 36 Cb -0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2pmc s ALA 36 CO 0.05 -0.24 0.89 -0.85 0.00 0.00 0.00 175.76 175.60 2pmc n GLU 37 N 1.65 1.45 -2.72 0.00 0.28 -1.26 -0.71 120.64 119.34 2pmc n GLU 37 Ca -0.20 -0.66 -0.01 0.00 -0.16 0.00 0.00 57.16 56.14 2pmc n GLU 37 Cb 0.56 -1.34 0.01 0.00 1.43 0.00 0.00 31.44 32.10 2pmc n GLU 37 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2pmc n ASP 38 N -0.42 -0.87 -0.24 -1.84 5.68 -1.26 -3.27 116.55 114.33 2pmc n ASP 38 Ca 0.06 -1.43 -0.04 0.00 -0.50 0.00 0.00 54.79 52.88 2pmc n ASP 38 Cb 0.36 1.40 0.06 0.00 -1.14 0.00 0.00 41.12 41.80 2pmc n ASP 38 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2pmc h GLY 39 N 1.02 0.97 0.97 6.12 0.00 -1.69 0.16 103.07 110.63 2pmc h GLY 39 Ca -0.14 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 2pmc h GLY 39 CO 0.19 0.31 -0.03 -2.08 0.00 0.00 0.00 176.54 174.93 2pmc h VAL 40 N 0.88 1.27 -0.38 4.60 2.07 -1.92 -0.62 116.25 122.15 2pmc h VAL 40 Ca 0.26 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2pmc h VAL 40 Cb -0.05 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2pmc h VAL 40 CO -0.08 0.37 0.15 -0.78 0.02 0.00 0.00 177.57 177.25 2pmc h ASP 41 N 0.60 0.52 0.61 0.57 3.58 -1.84 0.14 116.42 120.60 2pmc h ASP 41 Ca 0.12 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 2pmc h ASP 41 Cb 0.53 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 2pmc h ASP 41 CO 0.03 0.54 -0.36 0.00 -2.88 0.00 0.00 179.24 176.58 2pmc h ALA 42 N 1.00 -0.92 -0.35 -0.78 0.00 -0.65 -2.75 119.26 114.81 2pmc h ALA 42 Ca 0.13 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.95 2pmc h ALA 42 Cb 0.19 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2pmc h ALA 42 CO -0.01 -1.03 0.28 -0.07 0.00 0.00 0.00 179.25 178.42 2pmc h LEU 43 N -0.90 0.00 -1.76 0.00 3.38 -0.98 0.40 115.31 115.45 2pmc h LEU 43 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2pmc h LEU 43 Cb 0.73 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2pmc h LEU 43 CO 0.09 0.00 -0.02 0.78 0.09 0.00 0.00 178.44 179.38 2pmc h ASN 44 N 0.00 0.00 0.00 -0.43 4.21 -0.44 -3.22 115.58 115.71 2pmc h ASN 44 Ca 0.16 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.31 2pmc h ASN 44 Cb 0.73 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.86 2pmc h ASN 44 CO -0.00 0.02 -2.36 0.29 -1.29 0.00 0.00 177.43 174.08 2pmc n LYS 45 N -3.13 0.76 0.23 0.81 5.02 0.13 -4.54 118.16 117.45 2pmc n LYS 45 Ca -0.00 0.01 0.10 0.00 -2.02 0.00 0.00 58.31 56.40 2pmc n LYS 45 Cb 0.26 -1.51 0.51 0.00 -0.02 0.00 0.00 35.03 34.27 2pmc n LYS 45 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2pmc h LEU 46 N 0.00 0.00 -1.38 -0.35 3.38 -1.24 -2.40 115.31 113.32 2pmc h LEU 46 Ca -0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2pmc h LEU 46 Cb 2.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.93 2pmc h LEU 46 CO 0.02 0.21 0.00 1.56 0.09 0.00 0.00 178.44 180.32 2pmc h GLN 47 N 0.00 0.00 -0.00 1.13 4.20 -1.79 -1.71 115.11 116.94 2pmc h GLN 47 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2pmc h GLN 47 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2pmc h GLN 47 CO 0.03 0.00 -0.04 0.00 -0.67 0.00 0.00 178.83 178.15 2pmc n ALA 48 N -1.92 2.61 -0.65 3.87 0.00 -0.90 -5.03 120.51 118.49 2pmc n ALA 48 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2pmc n ALA 48 Cb 0.20 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2pmc n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pmc n GLY 49 N 1.24 -0.42 4.28 0.00 0.00 -0.64 -4.89 105.19 104.75 2pmc n GLY 49 Ca 0.16 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2pmc n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pmc n GLY 50 N 0.00 1.03 3.71 -0.02 0.00 -1.26 -4.94 105.19 103.71 2pmc n GLY 50 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2pmc n GLY 50 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pmc n PHE 51 N 0.00 2.44 -1.09 1.61 3.01 -1.26 -4.51 117.46 117.66 2pmc n PHE 51 Ca 0.00 0.42 0.00 0.00 1.01 0.00 0.00 57.45 58.89 2pmc n PHE 51 Cb 0.00 -2.49 0.00 0.00 -0.01 0.00 0.00 39.48 36.98 2pmc n PHE 51 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pmc n GLY 52 N 1.60 -1.69 3.38 1.37 0.00 -0.93 -4.97 105.19 103.95 2pmc n GLY 52 Ca 0.08 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.09 2pmc n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pmc s PHE 53 N -0.15 -0.87 -0.05 1.61 2.19 -1.13 -4.32 117.98 115.26 2pmc s PHE 53 Ca 0.01 1.35 -0.04 0.00 0.33 0.00 0.00 56.93 58.57 2pmc s PHE 53 Cb 0.01 0.46 -0.04 0.00 -1.31 0.00 0.00 43.02 42.14 2pmc s PHE 53 CO 0.00 -0.44 0.16 0.42 1.83 0.00 0.00 175.22 177.19 2pmc s ILE 54 N 2.64 5.40 -0.11 3.12 -1.09 0.47 -1.55 121.20 130.08 2pmc s ILE 54 Ca -0.01 -0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.37 2pmc s ILE 54 Cb -0.09 -3.46 0.02 0.00 -1.58 0.00 0.00 42.46 37.36 2pmc s ILE 54 CO -0.17 0.43 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.22 2pmc s ILE 55 N -1.21 1.28 0.02 2.92 1.01 -0.86 -1.59 121.20 122.77 2pmc s ILE 55 Ca 0.23 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.44 2pmc s ILE 55 Cb -0.12 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 2pmc s ILE 55 CO 0.13 0.40 -0.13 -0.55 0.00 0.00 0.00 174.94 174.79 2pmc s SER 56 N 1.29 1.59 0.46 3.58 0.15 0.47 0.78 113.70 122.02 2pmc s SER 56 Ca -0.01 -0.37 -0.22 0.00 0.70 0.00 0.00 55.95 56.05 2pmc s SER 56 Cb -0.14 -0.13 -0.08 0.00 -1.71 0.00 0.00 66.02 63.96 2pmc s SER 56 CO -0.05 0.08 1.09 -0.62 1.20 0.00 0.00 173.24 174.94 2pmc s ASP 57 N -0.81 6.32 -0.02 5.45 2.15 -0.18 0.91 116.67 130.49 2pmc s ASP 57 Ca 0.03 2.11 -0.02 0.00 0.43 0.00 0.00 52.55 55.10 2pmc s ASP 57 Cb -0.07 -2.58 -0.01 0.00 -0.30 0.00 0.00 42.92 39.96 2pmc s ASP 57 CO 0.01 -0.80 0.16 -0.25 -0.17 0.00 0.00 175.17 174.11 2pmc h TRP 58 N 1.93 -0.05 -2.74 -5.34 2.91 -1.43 -3.14 115.95 108.09 2pmc h TRP 58 Ca -0.49 -0.00 -0.54 0.00 1.13 0.00 0.00 58.89 58.98 2pmc h TRP 58 Cb 1.23 0.02 -0.07 0.00 -0.51 0.00 0.00 29.16 29.83 2pmc h TRP 58 CO 0.55 -0.03 1.05 -0.80 -1.03 0.00 0.00 178.44 178.18 2pmc s ASN 59 N -3.60 6.23 0.04 2.65 0.01 -1.26 -1.33 114.94 117.68 2pmc s ASN 59 Ca -0.01 -0.09 0.04 0.00 -0.71 0.00 0.00 52.86 52.10 2pmc s ASN 59 Cb 0.00 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.09 2pmc s ASN 59 CO 0.02 -1.70 -0.13 -0.04 -1.51 0.00 0.00 177.10 173.74 2pmc s MET 60 N 5.45 0.87 0.84 -0.60 -1.94 -1.26 -4.77 119.30 117.89 2pmc s MET 60 Ca 0.42 -0.73 -0.11 0.00 -1.71 0.00 0.00 55.69 53.56 2pmc s MET 60 Cb -0.08 -0.86 0.10 0.00 2.01 0.00 0.00 34.83 36.00 2pmc s MET 60 CO 0.21 0.21 1.09 -1.25 -0.01 0.00 0.00 175.02 175.27 2pmc s PRO 61 N -1.12 1.70 0.00 2.03 0.04 -1.26 -3.68 135.00 132.71 2pmc s PRO 61 Ca 0.01 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2pmc s PRO 61 Cb -0.08 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2pmc s PRO 61 CO 0.01 -1.96 0.00 0.09 0.04 0.00 0.00 177.00 175.18 2pmc n ASN 62 N -3.71 0.00 -3.68 6.66 3.02 -1.26 -4.54 115.26 111.76 2pmc n ASN 62 Ca 0.08 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.43 2pmc n ASN 62 Cb 0.55 0.00 -0.18 0.00 -0.61 0.00 0.00 39.78 39.54 2pmc n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2pmc s MET 63 N 0.00 -0.06 0.55 3.52 1.75 -1.26 -5.00 119.30 118.80 2pmc s MET 63 Ca 0.00 0.37 -0.13 0.00 -1.25 0.00 0.00 55.69 54.68 2pmc s MET 63 Cb 0.00 -0.51 -0.06 0.00 2.84 0.00 0.00 34.83 37.10 2pmc s MET 63 CO 0.00 -0.32 0.97 0.16 -0.65 0.00 0.00 175.02 175.18 2pmc s ASP 64 N 2.13 6.43 0.32 1.11 1.47 -1.24 -2.09 116.67 124.79 2pmc s ASP 64 Ca 0.05 1.43 0.09 0.00 1.18 0.00 0.00 52.55 55.29 2pmc s ASP 64 Cb -0.12 -2.46 0.83 0.00 -0.34 0.00 0.00 42.92 40.83 2pmc s ASP 64 CO -0.03 -0.69 1.77 1.23 0.68 0.00 0.00 175.17 178.13 2pmc h GLY 65 N 0.38 1.70 0.95 2.12 0.00 -1.15 0.52 103.07 107.58 2pmc h GLY 65 Ca -0.46 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 2pmc h GLY 65 CO 0.62 -0.11 -0.40 -2.00 0.00 0.00 0.00 176.54 174.66 2pmc h LEU 66 N 0.66 -0.96 -1.79 3.11 5.85 -1.83 0.64 115.31 121.00 2pmc h LEU 66 Ca 0.59 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.40 2pmc h LEU 66 Cb 1.05 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2pmc h LEU 66 CO -0.38 -0.65 0.46 -0.08 -0.34 0.00 0.00 178.44 177.45 2pmc h GLU 67 N -1.06 0.00 0.00 1.25 4.57 -1.60 -1.37 114.58 116.36 2pmc h GLU 67 Ca -0.10 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 2pmc h GLU 67 Cb 0.83 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 2pmc h GLU 67 CO 0.15 0.00 -0.53 1.25 -1.18 0.00 0.00 179.01 178.70 2pmc h LEU 68 N 0.00 0.00 -1.17 1.64 5.85 0.28 -3.27 115.31 118.65 2pmc h LEU 68 Ca 0.08 -0.14 0.15 0.00 0.84 0.00 0.00 57.88 58.81 2pmc h LEU 68 Cb 0.99 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 2pmc h LEU 68 CO -0.00 0.85 0.60 0.25 -0.34 0.00 0.00 178.44 179.80 2pmc h LEU 69 N -1.00 0.74 -0.13 2.25 5.85 0.61 0.20 115.31 123.84 2pmc h LEU 69 Ca -0.06 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2pmc h LEU 69 Cb 0.58 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2pmc h LEU 69 CO -0.04 0.36 -0.01 0.11 -0.34 0.00 0.00 178.44 178.52 2pmc h LYS 70 N 0.78 0.03 -0.81 1.25 1.57 -1.46 0.11 116.57 118.04 2pmc h LYS 70 Ca 0.49 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.31 2pmc h LYS 70 Cb 0.72 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 2pmc h LYS 70 CO -0.25 0.02 0.51 1.15 -0.57 0.00 0.00 179.45 180.31 2pmc h THR 71 N 0.03 1.09 0.34 -0.16 2.02 -0.78 -0.79 112.91 114.67 2pmc h THR 71 Ca 0.06 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 2pmc h THR 71 Cb 0.07 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 2pmc h THR 71 CO -0.11 0.18 -0.16 0.40 0.37 0.00 0.00 175.52 176.20 2pmc h ILE 72 N 0.97 0.68 -0.90 3.11 2.04 -0.48 0.23 117.51 123.16 2pmc h ILE 72 Ca 0.34 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 66.06 2pmc h ILE 72 Cb 0.07 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 2pmc h ILE 72 CO -0.14 0.04 0.56 0.03 0.00 0.00 0.00 178.15 178.65 2pmc h ARG 73 N -0.57 0.96 -0.01 2.37 2.47 -0.60 -1.60 114.38 117.41 2pmc h ARG 73 Ca -0.05 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2pmc h ARG 73 Cb 0.42 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2pmc h ARG 73 CO 0.08 0.64 -0.11 0.00 0.56 0.00 0.00 179.97 181.13 2pmc n ALA 74 N -2.36 2.78 -2.58 0.04 0.00 -0.32 -4.50 120.51 113.57 2pmc n ALA 74 Ca 0.14 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 2pmc n ALA 74 Cb 0.21 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 2pmc n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pmc s ASP 75 N -2.38 7.21 0.15 0.00 -1.08 0.80 -4.96 116.67 116.40 2pmc s ASP 75 Ca 0.31 1.75 -0.25 0.00 -0.52 0.00 0.00 52.55 53.84 2pmc s ASP 75 Cb 0.20 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 39.11 2pmc s ASP 75 CO 0.46 -0.42 1.60 0.77 0.52 0.00 0.00 175.17 178.10 2pmc h SER 76 N 7.00 -1.14 1.55 -0.34 4.64 -1.87 -2.58 113.55 120.82 2pmc h SER 76 Ca -0.38 0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 2pmc h SER 76 Cb 1.19 0.50 -0.00 0.00 -0.31 0.00 0.00 62.40 63.78 2pmc h SER 76 CO 0.81 -0.35 -0.03 0.00 -0.87 0.00 0.00 176.83 176.39 2pmc h ALA 77 N 0.54 0.99 -1.07 5.18 0.00 -1.93 -3.37 119.26 119.60 2pmc h ALA 77 Ca 0.13 -0.03 -0.54 0.00 0.00 0.00 0.00 54.91 54.48 2pmc h ALA 77 Cb 0.56 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 17.92 2pmc h ALA 77 CO -0.47 0.04 -0.82 -1.33 0.00 0.00 0.00 179.25 176.66 2pmc n MET 78 N -3.12 3.27 0.01 0.00 2.81 -0.97 -4.83 117.12 114.29 2pmc n MET 78 Ca 0.02 -4.22 -0.18 0.00 -1.81 0.00 0.00 57.70 51.52 2pmc n MET 78 Cb 0.45 -2.16 -0.14 0.00 -0.71 0.00 0.00 33.22 30.66 2pmc n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2pmc h SER 79 N 2.43 0.33 1.27 7.83 4.64 -1.69 -3.36 113.55 125.00 2pmc h SER 79 Ca 0.28 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 2pmc h SER 79 Cb 1.24 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2pmc h SER 79 CO 0.74 1.26 0.00 0.00 -0.87 0.00 0.00 176.83 177.97 2pmc h ALA 80 N 0.07 1.00 -1.71 5.18 0.00 -1.91 -3.43 119.26 118.46 2pmc h ALA 80 Ca -0.10 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.15 2pmc h ALA 80 Cb 1.43 0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.28 2pmc h ALA 80 CO 0.10 0.00 0.39 1.28 0.00 0.00 0.00 179.25 181.02 2pmc n LEU 81 N -2.94 1.62 -4.60 0.00 4.77 -1.26 -4.87 117.00 109.71 2pmc n LEU 81 Ca 0.02 1.13 -0.43 0.00 -0.03 0.00 0.00 56.01 56.70 2pmc n LEU 81 Cb 0.36 -1.20 -0.02 0.00 -2.33 0.00 0.00 43.42 40.23 2pmc n LEU 81 CO 0.28 -1.13 1.42 -2.84 -1.33 0.00 0.00 177.39 173.79 2pmc s PRO 82 N 0.17 3.45 -0.33 3.23 0.02 -1.26 -4.92 135.00 135.37 2pmc s PRO 82 Ca 0.80 1.29 -0.02 0.00 0.02 0.00 0.00 61.00 63.09 2pmc s PRO 82 Cb -0.91 -4.13 0.07 0.00 0.02 0.00 0.00 34.50 29.55 2pmc s PRO 82 CO 0.49 -1.71 0.06 0.08 -0.33 0.00 0.00 177.00 175.58 2pmc s VAL 83 N 6.27 3.03 -0.16 3.83 1.01 -1.26 -0.40 120.40 132.72 2pmc s VAL 83 Ca 0.73 -1.63 -0.21 0.00 0.00 0.00 0.00 61.98 60.87 2pmc s VAL 83 Cb -0.20 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2pmc s VAL 83 CO 0.33 -0.30 0.64 -0.22 0.00 0.00 0.00 175.10 175.56 2pmc s LEU 84 N 1.20 4.20 -0.12 3.92 2.96 -0.62 -2.21 118.68 128.01 2pmc s LEU 84 Ca -0.00 0.93 -0.16 0.00 -0.22 0.00 0.00 54.13 54.68 2pmc s LEU 84 Cb -0.20 -2.93 -0.05 0.00 0.50 0.00 0.00 46.19 43.51 2pmc s LEU 84 CO -0.02 -0.22 0.38 -0.04 -1.32 0.00 0.00 176.35 175.13 2pmc s MET 85 N 1.55 4.23 0.07 1.98 -1.94 0.17 -0.40 119.30 124.95 2pmc s MET 85 Ca 0.31 0.28 0.06 0.00 -1.71 0.00 0.00 55.69 54.62 2pmc s MET 85 Cb -0.16 -3.40 -0.04 0.00 2.01 0.00 0.00 34.83 33.24 2pmc s MET 85 CO 0.12 0.28 -0.08 0.08 -0.01 0.00 0.00 175.02 175.41 2pmc s VAL 86 N 0.28 3.51 0.08 -6.03 1.01 0.26 0.18 120.40 119.69 2pmc s VAL 86 Ca 0.21 -1.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2pmc s VAL 86 Cb -0.14 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.64 2pmc s VAL 86 CO 0.08 0.20 0.25 0.28 0.00 0.00 0.00 175.10 175.91 2pmc s THR 87 N -1.16 0.11 0.00 3.92 -1.32 0.59 -1.00 115.64 116.78 2pmc s THR 87 Ca 0.21 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.75 2pmc s THR 87 Cb -0.11 -1.18 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 2pmc s THR 87 CO 0.12 -0.52 0.00 0.00 -2.21 0.00 0.00 174.62 172.02 2pmc n ALA 88 N 0.12 0.00 -2.21 11.08 0.00 -1.26 0.99 120.51 129.23 2pmc n ALA 88 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.97 2pmc n ALA 88 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 2pmc n ALA 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2pmc s GLU 89 N 0.00 3.82 -0.40 0.00 -1.05 -1.26 -3.79 118.70 116.02 2pmc s GLU 89 Ca 0.00 0.47 -0.19 0.00 -0.15 0.00 0.00 54.97 55.11 2pmc s GLU 89 Cb 0.00 -2.43 0.01 0.00 -0.44 0.00 0.00 34.13 31.27 2pmc s GLU 89 CO 0.00 0.04 0.52 0.00 0.95 0.00 0.00 175.26 176.77 2pmc s ALA 90 N -2.24 3.42 -0.14 -0.84 0.00 -1.26 -5.05 121.76 115.66 2pmc s ALA 90 Ca 0.51 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.25 2pmc s ALA 90 Cb -0.10 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.93 2pmc s ALA 90 CO 0.28 -1.49 -0.15 0.21 0.00 0.00 0.00 175.76 174.60 2pmc s LYS 91 N 2.43 2.32 0.11 0.00 2.20 -1.26 -5.05 119.74 120.50 2pmc s LYS 91 Ca 0.18 -0.58 -0.21 0.00 -0.36 0.00 0.00 55.97 55.00 2pmc s LYS 91 Cb -0.16 -2.07 -0.05 0.00 -1.51 0.00 0.00 37.83 34.05 2pmc s LYS 91 CO 0.15 -0.17 1.15 1.63 -0.36 0.00 0.00 175.35 177.75 2pmc n LYS 92 N 4.57 -0.30 -0.36 4.03 5.02 -1.26 -0.02 118.16 129.84 2pmc n LYS 92 Ca -0.18 1.13 0.28 0.00 -2.02 0.00 0.00 58.31 57.52 2pmc n LYS 92 Cb 0.50 -1.67 0.54 0.00 -0.02 0.00 0.00 35.03 34.38 2pmc n LYS 92 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2pmc h GLU 93 N 0.00 0.23 0.10 1.97 4.11 -1.99 0.24 114.58 119.24 2pmc h GLU 93 Ca 0.11 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 59.35 2pmc h GLU 93 Cb 0.28 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.48 2pmc h GLU 93 CO -0.63 0.15 -0.79 -0.97 0.07 0.00 0.00 179.01 176.84 2pmc h ASN 94 N 0.24 0.34 -0.81 3.06 -0.73 -0.87 -3.16 115.58 113.66 2pmc h ASN 94 Ca 0.75 -0.93 0.16 0.00 1.87 0.00 0.00 56.30 58.15 2pmc h ASN 94 Cb 1.94 -0.11 -0.10 0.00 0.27 0.00 0.00 38.32 40.32 2pmc h ASN 94 CO -0.53 1.36 0.35 0.40 -0.37 0.00 0.00 177.43 178.64 2pmc h ILE 95 N -0.51 0.63 0.10 2.57 2.04 0.12 -0.65 117.51 121.82 2pmc h ILE 95 Ca -0.15 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2pmc h ILE 95 Cb 1.53 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2pmc h ILE 95 CO 0.09 0.09 -0.05 0.40 0.00 0.00 0.00 178.15 178.68 2pmc h ILE 96 N 0.48 1.00 -0.95 -0.67 2.04 -0.78 -2.67 117.51 115.96 2pmc h ILE 96 Ca 0.46 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 66.02 2pmc h ILE 96 Cb 0.72 1.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.99 2pmc h ILE 96 CO -0.42 0.10 0.61 0.00 0.00 0.00 0.00 178.15 178.43 2pmc h ALA 97 N 0.56 1.56 0.45 1.87 0.00 -1.30 -0.21 119.26 122.19 2pmc h ALA 97 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2pmc h ALA 97 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2pmc h ALA 97 CO 0.02 0.25 -0.28 0.00 0.00 0.00 0.00 179.25 179.24 2pmc h ALA 98 N 1.53 -0.70 -0.77 0.00 0.00 -1.05 -1.11 119.26 117.16 2pmc h ALA 98 Ca 0.44 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2pmc h ALA 98 Cb 0.38 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2pmc h ALA 98 CO -0.20 -0.91 0.47 0.00 0.00 0.00 0.00 179.25 178.62 2pmc h ALA 99 N -0.20 0.98 -0.94 0.00 0.00 -1.05 -1.23 119.26 116.82 2pmc h ALA 99 Ca -0.05 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.87 2pmc h ALA 99 Cb 0.57 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 2pmc h ALA 99 CO 0.05 0.44 0.58 0.37 0.00 0.00 0.00 179.25 180.69 2pmc h GLN 100 N 1.05 0.95 0.00 0.00 4.15 -0.94 -2.07 115.11 118.25 2pmc h GLN 100 Ca 0.28 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.55 2pmc h GLN 100 Cb -0.05 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.41 2pmc h GLN 100 CO -0.05 0.63 -0.44 0.00 -1.93 0.00 0.00 178.83 177.04 2pmc h ALA 101 N 1.48 1.13 0.00 3.38 0.00 -0.02 -3.47 119.26 121.76 2pmc h ALA 101 Ca 0.44 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pmc h ALA 101 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2pmc h ALA 101 CO -0.23 0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2pmc n GLY 102 N -0.04 1.22 3.64 0.00 0.00 -0.78 -4.69 105.19 104.55 2pmc n GLY 102 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2pmc n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pmc s ALA 103 N -2.00 3.50 0.23 4.61 0.00 -1.05 -4.90 121.76 122.15 2pmc s ALA 103 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 51.96 52.00 2pmc s ALA 103 Cb 0.00 -3.69 0.23 0.00 0.00 0.00 0.00 23.12 19.66 2pmc s ALA 103 CO 0.00 -1.49 1.88 0.77 0.00 0.00 0.00 175.76 176.92 2pmc h SER 104 N 8.48 0.90 -5.07 0.00 0.02 -1.81 -3.44 113.55 112.63 2pmc h SER 104 Ca -0.23 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.59 2pmc h SER 104 Cb 1.08 -0.21 -0.17 0.00 0.14 0.00 0.00 62.40 63.24 2pmc h SER 104 CO 1.02 0.63 -0.39 -0.83 -1.14 0.00 0.00 176.83 176.11 2pmc s GLY 105 N -3.02 0.03 -0.07 -3.77 0.00 -1.16 -4.84 107.32 94.50 2pmc s GLY 105 Ca -0.13 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.34 2pmc s GLY 105 CO 0.79 -0.44 -0.11 -0.47 0.00 0.00 0.00 173.10 172.87 2pmc s TYR 106 N -2.51 1.34 0.05 1.90 6.14 -1.26 0.41 117.35 123.42 2pmc s TYR 106 Ca -0.05 -0.49 0.01 0.00 0.64 0.00 0.00 57.07 57.17 2pmc s TYR 106 Cb -0.01 -1.01 -0.03 0.00 0.42 0.00 0.00 41.96 41.33 2pmc s TYR 106 CO -0.04 -0.28 -0.06 0.54 0.64 0.00 0.00 175.55 176.36 2pmc s VAL 107 N 0.78 0.43 -0.03 3.14 0.11 0.46 -4.93 120.40 120.36 2pmc s VAL 107 Ca -0.13 -1.37 -0.00 0.00 -2.93 0.00 0.00 61.98 57.55 2pmc s VAL 107 Cb -0.15 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 2pmc s VAL 107 CO 0.02 -0.63 0.03 -0.69 -3.33 0.00 0.00 175.10 170.50 2pmc s VAL 108 N -2.35 4.43 0.04 2.04 1.01 -1.26 -0.30 120.40 124.00 2pmc s VAL 108 Ca -0.03 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.60 2pmc s VAL 108 Cb -0.03 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2pmc s VAL 108 CO -0.03 0.45 -0.13 -1.59 0.00 0.00 0.00 175.10 173.80 2pmc s LYS 109 N -1.39 2.24 0.59 2.72 -2.85 0.28 -3.90 119.74 117.44 2pmc s LYS 109 Ca 0.18 -0.90 -0.15 0.00 -1.00 0.00 0.00 55.97 54.10 2pmc s LYS 109 Cb -0.12 -2.31 -0.04 0.00 -2.06 0.00 0.00 37.83 33.31 2pmc s LYS 109 CO 0.09 0.56 1.04 -1.25 0.10 0.00 0.00 175.35 175.89 2pmc s PRO 110 N -1.53 3.39 0.03 1.78 0.04 -1.26 -4.65 135.00 132.80 2pmc s PRO 110 Ca 0.16 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.35 2pmc s PRO 110 Cb -0.11 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2pmc s PRO 110 CO 0.07 -0.75 -0.10 -0.59 0.04 0.00 0.00 177.00 175.68 2pmc s PHE 111 N -2.58 0.85 0.91 0.56 -0.12 -1.25 -5.17 117.98 111.18 2pmc s PHE 111 Ca 0.62 -0.35 -0.11 0.00 -0.05 0.00 0.00 56.93 57.04 2pmc s PHE 111 Cb -0.15 -0.51 0.20 0.00 -0.63 0.00 0.00 43.02 41.93 2pmc s PHE 111 CO 0.39 -0.02 1.23 0.95 -0.05 0.00 0.00 175.22 177.72 2pmc s THR 112 N -0.88 2.00 0.10 -4.49 -4.23 -1.26 -4.86 115.64 102.02 2pmc s THR 112 Ca -0.03 -0.23 -0.28 0.00 -1.18 0.00 0.00 61.69 59.98 2pmc s THR 112 Cb -0.07 -2.77 -0.11 0.00 1.34 0.00 0.00 72.50 70.89 2pmc s THR 112 CO 0.01 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 175.73 2pmc h ALA 113 N -1.34 -0.47 -0.97 3.99 0.00 -1.99 -2.02 119.26 116.45 2pmc h ALA 113 Ca -0.40 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.50 2pmc h ALA 113 Cb 1.23 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 2pmc h ALA 113 CO 0.34 -0.80 0.63 0.00 0.00 0.00 0.00 179.25 179.41 2pmc h ALA 114 N 0.20 1.43 0.34 0.00 0.00 -1.98 0.38 119.26 119.63 2pmc h ALA 114 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pmc h ALA 114 Cb 0.48 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2pmc h ALA 114 CO -0.08 0.43 -0.26 1.15 0.00 0.00 0.00 179.25 180.49 2pmc h THR 115 N 1.14 0.46 -0.54 0.00 2.02 -1.86 0.96 112.91 115.09 2pmc h THR 115 Ca 0.41 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.65 2pmc h THR 115 Cb 0.15 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 2pmc h THR 115 CO -0.16 0.00 0.26 0.25 0.37 0.00 0.00 175.52 176.24 2pmc h LEU 116 N -0.60 0.35 -0.12 2.58 5.85 -0.72 -2.33 115.31 120.32 2pmc h LEU 116 Ca -0.03 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2pmc h LEU 116 Cb 0.52 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2pmc h LEU 116 CO -0.00 0.23 0.07 -0.08 -0.34 0.00 0.00 178.44 178.32 2pmc h GLU 117 N 0.49 0.16 0.00 1.25 4.81 0.17 0.10 114.58 121.56 2pmc h GLU 117 Ca 0.24 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 2pmc h GLU 117 Cb 0.19 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2pmc h GLU 117 CO -0.19 0.13 -0.64 0.93 -0.73 0.00 0.00 179.01 178.51 2pmc h GLU 118 N 0.14 0.00 0.01 1.92 5.08 -0.79 0.28 114.58 121.23 2pmc h GLU 118 Ca 0.04 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 2pmc h GLU 118 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2pmc h GLU 118 CO -0.01 0.64 -0.93 0.87 -1.00 0.00 0.00 179.01 178.58 2pmc h LYS 119 N 0.00 0.25 -0.28 2.33 1.79 -1.32 -2.02 116.57 117.31 2pmc h LYS 119 Ca -0.01 -0.28 -0.04 0.00 -2.18 0.00 0.00 60.65 58.14 2pmc h LYS 119 Cb 1.17 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 2pmc h LYS 119 CO 0.08 1.01 0.01 -0.07 -1.08 0.00 0.00 179.45 179.41 2pmc h LEU 120 N 0.13 0.48 -1.14 2.94 3.38 -0.55 -2.94 115.31 117.61 2pmc h LEU 120 Ca -0.06 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 2pmc h LEU 120 Cb 1.57 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 2pmc h LEU 120 CO 0.15 0.66 -0.38 0.78 0.09 0.00 0.00 178.44 179.74 2pmc h ASN 121 N 0.29 0.10 -0.63 -0.43 4.21 -0.98 0.13 115.58 118.27 2pmc h ASN 121 Ca 0.08 -0.04 0.02 0.00 1.21 0.00 0.00 56.30 57.58 2pmc h ASN 121 Cb 0.41 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.55 2pmc h ASN 121 CO 0.01 0.47 0.41 0.11 -1.29 0.00 0.00 177.43 177.15 2pmc h LYS 122 N 0.08 0.76 0.09 0.81 1.57 -1.34 -0.93 116.57 117.61 2pmc h LYS 122 Ca 0.01 -0.05 -0.25 0.00 -1.87 0.00 0.00 60.65 58.49 2pmc h LYS 122 Cb 0.71 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 2pmc h LYS 122 CO 0.05 0.50 -1.15 0.82 -0.57 0.00 0.00 179.45 179.10 2pmc h ILE 123 N 0.78 1.54 0.00 1.86 2.04 -1.16 -1.80 117.51 120.76 2pmc h ILE 123 Ca 0.24 -3.06 0.00 0.00 1.00 0.00 0.00 64.86 63.04 2pmc h ILE 123 Cb 0.02 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 2pmc h ILE 123 CO -0.06 0.89 0.00 -0.26 0.00 0.00 0.00 178.15 178.72 2pmc h PHE 124 N 0.07 0.00 0.00 1.37 0.04 -0.16 -2.34 116.94 115.93 2pmc h PHE 124 Ca -0.10 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.36 2pmc h PHE 124 Cb 1.87 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.97 2pmc h PHE 124 CO 0.05 0.00 -2.19 0.39 -0.60 0.00 0.00 178.31 175.96 2pmc n GLU 125 N -2.57 0.54 -0.10 1.51 1.02 -0.41 0.10 120.64 120.72 2pmc n GLU 125 Ca 0.01 0.12 0.12 0.00 -0.02 0.00 0.00 57.16 57.39 2pmc n GLU 125 Cb 0.24 -1.42 0.49 0.00 -0.02 0.00 0.00 31.44 30.74 2pmc n GLU 125 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2pmc h LYS 126 N 0.00 0.42 0.00 3.49 3.64 -1.33 -2.65 116.57 120.13 2pmc h LYS 126 Ca -0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2pmc h LYS 126 Cb 1.73 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.45 2pmc h LYS 126 CO -0.07 0.28 -0.96 1.28 -2.27 0.00 0.00 179.45 177.71 2pmc n LEU 127 N -4.47 0.31 -2.44 5.20 4.77 -0.88 -5.06 117.00 114.43 2pmc n LEU 127 Ca 0.10 -0.29 -0.05 0.00 -0.03 0.00 0.00 56.01 55.74 2pmc n LEU 127 Cb 0.38 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.49 2pmc n LEU 127 CO 0.34 0.08 0.08 0.61 -1.33 0.00 0.00 177.39 177.17 2pmc n GLY 128 N 1.50 -0.45 0.78 -0.72 0.00 -0.83 -5.06 105.19 100.43 2pmc n GLY 128 Ca 0.00 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.34 2pmc n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35