#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pmc n ASP 3 N 0.00 2.65 0.09 0.00 4.64 -1.24 -4.92 116.55 117.77 2pmc n ASP 3 Ca 0.00 1.17 -0.16 0.00 -1.38 0.00 0.00 54.79 54.42 2pmc n ASP 3 Cb 0.00 -1.44 -0.14 0.00 -1.04 0.00 0.00 41.12 38.50 2pmc n ASP 3 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 2pmc h LYS 4 N 3.34 0.27 -0.03 -0.67 1.79 -1.98 -3.25 116.57 116.04 2pmc h LYS 4 Ca -0.45 -0.45 0.00 0.00 -2.18 0.00 0.00 60.65 57.56 2pmc h LYS 4 Cb 1.28 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.10 2pmc h LYS 4 CO 0.69 1.19 0.00 0.39 -1.08 0.00 0.00 179.45 180.64 2pmc n GLU 5 N -3.51 1.14 -1.65 3.15 -0.58 -1.26 -4.34 120.64 113.58 2pmc n GLU 5 Ca -0.10 -0.20 -0.51 0.00 -0.42 0.00 0.00 57.16 55.92 2pmc n GLU 5 Cb 1.03 -1.27 -0.06 0.00 -0.57 0.00 0.00 31.44 30.57 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 -0.55 2.42 -4.67 -4.62 7.94 -1.23 -4.84 117.00 111.45 2pmc n LEU 6 Ca 0.12 1.08 -0.40 0.00 -1.11 0.00 0.00 56.01 55.70 2pmc n LEU 6 Cb 0.10 -1.26 -0.06 0.00 0.53 0.00 0.00 43.42 42.74 2pmc n LEU 6 CO 0.09 -0.58 0.39 -0.75 -1.11 0.00 0.00 177.39 175.43 2pmc s LYS 7 N 1.86 4.26 -0.03 1.96 2.20 -1.26 -4.47 119.74 124.26 2pmc s LYS 7 Ca 0.88 0.68 -0.02 0.00 -0.36 0.00 0.00 55.97 57.14 2pmc s LYS 7 Cb -0.88 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 31.85 2pmc s LYS 7 CO 0.50 -0.19 0.10 -0.06 -0.36 0.00 0.00 175.35 175.34 2pmc s PHE 8 N 1.72 3.36 -0.18 4.03 0.40 0.29 -0.81 117.98 126.79 2pmc s PHE 8 Ca 0.30 0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.90 2pmc s PHE 8 Cb -0.16 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 2pmc s PHE 8 CO 0.11 0.59 -0.10 -1.17 0.70 0.00 0.00 175.22 175.35 2pmc s LEU 9 N -1.56 2.69 -0.22 -0.37 2.96 -0.72 0.44 118.68 121.90 2pmc s LEU 9 Ca 0.21 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.68 2pmc s LEU 9 Cb -0.12 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.93 2pmc s LEU 9 CO 0.12 0.05 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.44 2pmc s VAL 10 N 1.05 3.04 -0.16 1.68 1.01 0.75 -0.88 120.40 126.88 2pmc s VAL 10 Ca -0.00 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2pmc s VAL 10 Cb -0.15 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.83 2pmc s VAL 10 CO -0.02 0.37 -0.21 -0.69 0.00 0.00 0.00 175.10 174.55 2pmc s VAL 11 N 1.41 2.05 -0.19 2.92 1.01 -0.39 -0.72 120.40 126.49 2pmc s VAL 11 Ca 0.04 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.78 2pmc s VAL 11 Cb -0.15 -1.83 0.11 0.00 0.00 0.00 0.00 36.38 34.52 2pmc s VAL 11 CO -0.05 0.54 0.93 -0.62 0.00 0.00 0.00 175.10 175.90 2pmc s ASP 12 N 1.03 -0.47 0.22 3.32 -1.08 -0.17 -0.47 116.67 119.04 2pmc s ASP 12 Ca -0.02 0.68 0.01 0.00 -0.52 0.00 0.00 52.55 52.70 2pmc s ASP 12 Cb -0.14 0.61 0.19 0.00 -1.46 0.00 0.00 42.92 42.12 2pmc s ASP 12 CO -0.07 -0.32 1.54 -2.24 0.52 0.00 0.00 175.17 174.60 2pmc h ASP 13 N 3.33 0.45 -3.35 -0.34 2.03 -1.81 -3.36 116.42 113.37 2pmc h ASP 13 Ca -0.24 -0.24 -0.56 0.00 -0.73 0.00 0.00 57.03 55.26 2pmc h ASP 13 Cb 1.16 -0.13 -0.05 0.00 -0.83 0.00 0.00 39.33 39.49 2pmc h ASP 13 CO 0.24 0.92 0.30 -0.36 -1.03 0.00 0.00 179.24 179.31 2pmc s PHE 14 N -3.90 3.56 -0.13 4.15 2.99 -1.26 -4.96 117.98 118.42 2pmc s PHE 14 Ca -0.06 1.42 0.24 0.00 0.00 0.00 0.00 56.93 58.53 2pmc s PHE 14 Cb 0.12 -2.99 0.64 0.00 0.00 0.00 0.00 43.02 40.78 2pmc s PHE 14 CO 0.82 -0.06 1.71 0.66 -0.00 0.00 0.00 175.22 178.35 2pmc h SER 15 N 6.95 0.00 -0.15 1.36 4.64 -2.00 -2.61 113.55 121.74 2pmc h SER 15 Ca -0.37 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.86 2pmc h SER 15 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2pmc h SER 15 CO 0.78 0.16 -0.28 0.74 -0.87 0.00 0.00 176.83 177.36 2pmc h THR 16 N 0.00 1.36 -0.71 2.95 2.02 -1.97 -0.41 112.91 116.15 2pmc h THR 16 Ca -0.00 -1.53 0.04 0.00 0.77 0.00 0.00 66.41 65.69 2pmc h THR 16 Cb 0.92 1.98 -0.05 0.00 -1.74 0.00 0.00 68.15 69.26 2pmc h THR 16 CO 0.02 0.46 0.44 -0.03 0.37 0.00 0.00 175.52 176.77 2pmc h MET 17 N 0.07 0.81 -0.82 6.66 -1.53 -1.95 0.11 114.93 118.29 2pmc h MET 17 Ca 0.01 -0.05 0.01 0.00 -3.44 0.00 0.00 59.70 56.23 2pmc h MET 17 Cb 0.86 -0.18 -0.04 0.00 -0.55 0.00 0.00 31.60 31.69 2pmc h MET 17 CO 0.06 0.54 0.54 0.00 0.14 0.00 0.00 176.91 178.19 2pmc h ARG 18 N 0.84 1.06 -0.00 0.39 3.08 -1.31 -1.61 114.38 116.82 2pmc h ARG 18 Ca 0.29 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.10 2pmc h ARG 18 Cb 0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2pmc h ARG 18 CO -0.13 0.70 -0.80 -0.09 -1.07 0.00 0.00 179.97 178.58 2pmc h ARG 19 N 1.09 0.11 0.21 0.04 2.43 -0.34 -1.49 114.38 116.42 2pmc h ARG 19 Ca 0.30 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2pmc h ARG 19 Cb -0.10 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2pmc h ARG 19 CO -0.08 0.85 -0.10 0.82 -1.51 0.00 0.00 179.97 179.96 2pmc h ILE 20 N 0.06 0.80 -0.73 1.20 2.04 -0.57 -1.87 117.51 118.46 2pmc h ILE 20 Ca -0.02 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 2pmc h ILE 20 Cb 1.40 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2pmc h ILE 20 CO 0.11 0.01 0.32 0.58 0.00 0.00 0.00 178.15 179.17 2pmc h VAL 21 N -0.29 1.24 -0.43 1.67 2.07 -1.18 0.27 116.25 119.61 2pmc h VAL 21 Ca -0.03 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.80 2pmc h VAL 21 Cb 0.22 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 2pmc h VAL 21 CO 0.05 0.30 0.21 -0.09 0.02 0.00 0.00 177.57 178.06 2pmc h ARG 22 N 1.03 0.42 0.00 1.57 2.43 -1.18 0.71 114.38 119.35 2pmc h ARG 22 Ca 0.25 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 2pmc h ARG 22 Cb 0.17 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2pmc h ARG 22 CO -0.03 0.28 -0.49 -0.91 -1.51 0.00 0.00 179.97 177.31 2pmc h ASN 23 N 0.43 0.00 -0.06 -3.80 2.35 -0.89 -1.51 115.58 112.11 2pmc h ASN 23 Ca 0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2pmc h ASN 23 Cb 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 2pmc h ASN 23 CO -0.13 0.49 0.01 -0.07 -1.65 0.00 0.00 177.43 176.09 2pmc h LEU 24 N 0.00 0.09 -1.19 1.61 3.38 -0.17 -2.01 115.31 117.02 2pmc h LEU 24 Ca -0.00 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.77 2pmc h LEU 24 Cb 0.99 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 2pmc h LEU 24 CO 0.06 0.32 0.57 -0.07 0.09 0.00 0.00 178.44 179.42 2pmc h LEU 25 N -0.15 0.87 -0.13 1.67 3.38 -0.77 -1.88 115.31 118.30 2pmc h LEU 25 Ca 0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2pmc h LEU 25 Cb 0.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2pmc h LEU 25 CO 0.00 0.56 -0.03 0.50 0.09 0.00 0.00 178.44 179.56 2pmc h LYS 26 N 0.99 0.01 -0.76 1.13 3.64 -1.15 0.93 116.57 121.34 2pmc h LYS 26 Ca 0.37 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.82 2pmc h LYS 26 Cb 0.20 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 2pmc h LYS 26 CO -0.14 0.00 0.44 1.49 -2.27 0.00 0.00 179.45 178.98 2pmc h GLU 27 N 0.01 0.76 0.00 1.90 4.81 -0.67 -0.74 114.58 120.64 2pmc h GLU 27 Ca 0.06 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2pmc h GLU 27 Cb 0.09 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2pmc h GLU 27 CO -0.13 0.50 0.00 1.28 -0.73 0.00 0.00 179.01 179.93 2pmc n LEU 28 N -4.74 0.00 0.00 1.64 4.77 -0.77 -4.86 117.00 113.04 2pmc n LEU 28 Ca 0.11 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2pmc n LEU 28 Cb 0.21 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2pmc n LEU 28 CO 0.29 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2pmc n GLY 29 N 0.78 1.06 3.50 -0.72 0.00 -0.28 -5.07 105.19 104.46 2pmc n GLY 29 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.22 -0.62 1.61 0.08 0.25 -4.88 117.98 115.64 2pmc s PHE 30 Ca 0.00 -0.32 0.16 0.00 0.12 0.00 0.00 56.93 56.89 2pmc s PHE 30 Cb 0.00 -2.45 -0.19 0.00 -0.57 0.00 0.00 43.02 39.81 2pmc s PHE 30 CO 0.00 -0.40 0.62 0.09 -0.10 0.00 0.00 175.22 175.43 2pmc n ASN 31 N 5.08 0.84 -4.40 1.36 3.02 -1.26 -2.94 115.26 116.96 2pmc n ASN 31 Ca -0.13 -0.72 -0.45 0.00 -0.03 0.00 0.00 54.58 53.25 2pmc n ASN 31 Cb 0.49 1.13 -0.01 0.00 -0.61 0.00 0.00 39.78 40.78 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 -2.73 6.89 -0.02 6.41 2.47 -1.26 -4.99 114.94 121.70 2pmc s ASN 32 Ca 0.04 -2.73 0.04 0.00 0.42 0.00 0.00 52.86 50.63 2pmc s ASN 32 Cb 0.12 -2.31 -0.01 0.00 -1.45 0.00 0.00 41.25 37.61 2pmc s ASN 32 CO 0.65 -0.70 -0.14 -0.69 -3.72 0.00 0.00 177.10 172.50 2pmc s VAL 33 N 0.94 1.18 0.37 -5.21 1.01 -1.26 0.10 120.40 117.53 2pmc s VAL 33 Ca 0.30 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.71 2pmc s VAL 33 Cb -0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2pmc s VAL 33 CO -0.07 0.34 0.08 -1.61 0.00 0.00 0.00 175.10 173.84 2pmc s GLU 34 N -0.12 1.81 0.09 2.72 2.02 0.17 -4.91 118.70 120.48 2pmc s GLU 34 Ca 0.01 -2.06 0.04 0.00 0.02 0.00 0.00 54.97 52.98 2pmc s GLU 34 Cb -0.08 -0.84 -0.03 0.00 0.10 0.00 0.00 34.13 33.28 2pmc s GLU 34 CO 0.00 -0.31 -0.10 -1.21 0.02 0.00 0.00 175.26 173.66 2pmc s GLU 35 N -3.82 0.83 0.04 1.61 2.02 -1.26 -0.18 118.70 117.94 2pmc s GLU 35 Ca 0.29 -1.13 -0.10 0.00 0.02 0.00 0.00 54.97 54.05 2pmc s GLU 35 Cb 0.06 -0.53 0.01 0.00 0.10 0.00 0.00 34.13 33.77 2pmc s GLU 35 CO 0.14 0.08 0.22 0.00 0.02 0.00 0.00 175.26 175.72 2pmc s ALA 36 N -2.35 -0.43 -1.69 5.21 0.00 0.10 -4.88 121.76 117.72 2pmc s ALA 36 Ca 0.04 -0.23 0.14 0.00 0.00 0.00 0.00 51.96 51.92 2pmc s ALA 36 Cb -0.03 0.30 0.16 0.00 0.00 0.00 0.00 23.12 23.55 2pmc s ALA 36 CO 0.00 -0.38 1.02 -0.85 0.00 0.00 0.00 175.76 175.55 2pmc n GLU 37 N 0.63 1.33 -3.85 0.00 0.28 -1.26 -1.00 120.64 116.78 2pmc n GLU 37 Ca -0.19 -1.51 -0.03 0.00 -0.16 0.00 0.00 57.16 55.28 2pmc n GLU 37 Cb 0.59 -1.29 0.01 0.00 1.43 0.00 0.00 31.44 32.18 2pmc n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2pmc s ASP 38 N -1.16 -0.04 0.24 -1.84 1.47 -1.26 -3.51 116.67 110.57 2pmc s ASP 38 Ca 0.19 -0.56 -0.05 0.00 1.18 0.00 0.00 52.55 53.31 2pmc s ASP 38 Cb 0.13 0.46 0.26 0.00 -0.34 0.00 0.00 42.92 43.42 2pmc s ASP 38 CO 0.18 -0.89 1.81 1.23 0.68 0.00 0.00 175.17 178.18 2pmc h GLY 39 N 2.00 1.14 1.00 2.12 0.00 -1.57 -0.02 103.07 107.74 2pmc h GLY 39 Ca -0.27 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.36 2pmc h GLY 39 CO 0.33 0.59 0.01 -2.08 0.00 0.00 0.00 176.54 175.39 2pmc h VAL 40 N 1.04 1.26 -0.43 4.60 2.07 -1.92 -1.36 116.25 121.51 2pmc h VAL 40 Ca 0.24 -1.05 -0.13 0.00 0.82 0.00 0.00 66.70 66.58 2pmc h VAL 40 Cb 0.23 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2pmc h VAL 40 CO -0.02 0.37 -0.25 -0.78 0.02 0.00 0.00 177.57 176.91 2pmc h ASP 41 N 0.70 0.93 -0.16 0.57 3.58 -1.87 -2.06 116.42 118.11 2pmc h ASP 41 Ca 0.14 -0.36 0.05 0.00 0.42 0.00 0.00 57.03 57.27 2pmc h ASP 41 Cb 0.50 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.24 2pmc h ASP 41 CO 0.02 1.12 -0.16 0.00 -2.88 0.00 0.00 179.24 177.34 2pmc h ALA 42 N 0.94 -0.07 -0.77 -0.78 0.00 -0.83 -2.60 119.26 115.16 2pmc h ALA 42 Ca 0.10 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2pmc h ALA 42 Cb 0.81 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2pmc h ALA 42 CO 0.07 -0.61 0.30 -0.07 0.00 0.00 0.00 179.25 178.94 2pmc h LEU 43 N -0.19 1.06 -1.79 0.00 3.38 -1.04 -0.53 115.31 116.21 2pmc h LEU 43 Ca 0.11 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2pmc h LEU 43 Cb 0.35 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2pmc h LEU 43 CO -0.27 0.95 0.19 0.78 0.09 0.00 0.00 178.44 180.18 2pmc h ASN 44 N 1.11 0.24 1.20 -0.43 2.35 -1.21 -1.51 115.58 117.34 2pmc h ASN 44 Ca 0.25 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.92 2pmc h ASN 44 Cb 0.22 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2pmc h ASN 44 CO -0.02 0.17 -0.83 0.11 -1.65 0.00 0.00 177.43 175.21 2pmc h LYS 45 N 0.29 0.00 -0.01 0.81 1.57 -0.94 -3.34 116.57 114.94 2pmc h LYS 45 Ca 0.11 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.69 2pmc h LYS 45 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2pmc h LYS 45 CO -0.02 0.23 -0.85 -0.07 -0.57 0.00 0.00 179.45 178.16 2pmc h LEU 46 N 0.00 0.35 -1.55 2.94 3.38 -0.12 -3.17 115.31 117.13 2pmc h LEU 46 Ca -0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2pmc h LEU 46 Cb 1.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2pmc h LEU 46 CO 0.03 1.05 0.07 1.56 0.09 0.00 0.00 178.44 181.24 2pmc h GLN 47 N 0.16 0.36 0.00 1.13 4.20 -1.52 -0.95 115.11 118.49 2pmc h GLN 47 Ca -0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2pmc h GLN 47 Cb 1.46 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.17 2pmc h GLN 47 CO 0.14 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.63 2pmc n ALA 48 N -2.49 1.49 -0.72 3.87 0.00 -1.20 -4.97 120.51 116.49 2pmc n ALA 48 Ca 0.01 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2pmc n ALA 48 Cb 0.15 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.94 -1.85 0.06 0.00 0.00 -0.36 -4.95 105.19 97.14 2pmc n GLY 49 Ca 0.01 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.82 3.08 3.80 -0.02 0.00 -1.26 -4.89 105.19 104.07 2pmc n GLY 50 Ca 0.00 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 2pmc n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pmc s PHE 51 N -1.28 2.97 0.00 1.61 0.40 -1.26 -4.59 117.98 115.82 2pmc s PHE 51 Ca 0.00 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.86 2pmc s PHE 51 Cb 0.00 -3.04 0.00 0.00 0.51 0.00 0.00 43.02 40.49 2pmc s PHE 51 CO 0.00 -1.10 0.00 0.41 0.70 0.00 0.00 175.22 175.23 2pmc n GLY 52 N -0.78 0.78 3.61 4.36 0.00 0.01 -4.92 105.19 108.24 2pmc n GLY 52 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.56 -0.76 -0.12 1.61 2.19 -1.12 -4.33 117.98 114.88 2pmc s PHE 53 Ca 0.00 1.85 0.03 0.00 0.33 0.00 0.00 56.93 59.14 2pmc s PHE 53 Cb 0.00 0.27 0.01 0.00 -1.31 0.00 0.00 43.02 41.99 2pmc s PHE 53 CO 0.00 -0.38 -0.22 0.42 1.83 0.00 0.00 175.22 176.86 2pmc s ILE 54 N 0.29 2.00 -0.24 3.12 -1.09 0.31 -1.75 121.20 123.85 2pmc s ILE 54 Ca -0.01 -0.97 -0.01 0.00 -2.23 0.00 0.00 60.65 57.44 2pmc s ILE 54 Cb -0.05 -1.75 0.03 0.00 -1.58 0.00 0.00 42.46 39.11 2pmc s ILE 54 CO 0.01 0.54 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.55 2pmc s ILE 55 N 0.61 2.67 -0.01 2.92 1.01 -0.06 -0.02 121.20 128.31 2pmc s ILE 55 Ca -0.13 -1.07 0.04 0.00 0.00 0.00 0.00 60.65 59.50 2pmc s ILE 55 Cb -0.17 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 2pmc s ILE 55 CO 0.03 0.23 -0.12 -0.55 0.00 0.00 0.00 174.94 174.53 2pmc s SER 56 N 1.30 1.48 0.84 3.58 0.15 -0.46 -1.26 113.70 119.33 2pmc s SER 56 Ca 0.00 -0.23 -0.10 0.00 0.70 0.00 0.00 55.95 56.32 2pmc s SER 56 Cb -0.16 -0.20 0.10 0.00 -1.71 0.00 0.00 66.02 64.05 2pmc s SER 56 CO -0.06 0.15 1.11 -0.62 1.20 0.00 0.00 173.24 175.02 2pmc s ASP 57 N -0.24 3.81 -0.18 5.45 2.15 0.38 -0.05 116.67 127.98 2pmc s ASP 57 Ca 0.04 1.90 -0.14 0.00 0.43 0.00 0.00 52.55 54.77 2pmc s ASP 57 Cb -0.05 -2.50 -0.08 0.00 -0.30 0.00 0.00 42.92 39.99 2pmc s ASP 57 CO -0.00 -2.49 -0.18 1.87 -0.17 0.00 0.00 175.17 174.20 2pmc n TRP 58 N -3.82 0.58 -3.01 -5.34 -0.00 -0.80 -3.30 117.44 101.75 2pmc n TRP 58 Ca 0.10 0.25 -0.43 0.00 -0.00 0.00 0.00 57.50 57.42 2pmc n TRP 58 Cb 0.53 -0.79 -0.06 0.00 -0.00 0.00 0.00 31.31 30.99 2pmc n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 2pmc s ASN 59 N -6.21 6.44 -0.17 5.87 0.01 -1.26 -1.08 114.94 118.54 2pmc s ASN 59 Ca -0.24 0.03 -0.09 0.00 -0.71 0.00 0.00 52.86 51.85 2pmc s ASN 59 Cb 0.05 -2.37 0.06 0.00 0.41 0.00 0.00 41.25 39.41 2pmc s ASN 59 CO 0.38 -0.78 0.41 -0.04 -1.51 0.00 0.00 177.10 175.55 2pmc s MET 60 N 3.05 0.38 0.68 -0.60 -1.94 -1.26 -4.71 119.30 114.90 2pmc s MET 60 Ca 0.28 0.83 -0.17 0.00 -1.71 0.00 0.00 55.69 54.92 2pmc s MET 60 Cb -0.13 0.03 0.00 0.00 2.01 0.00 0.00 34.83 36.74 2pmc s MET 60 CO 0.19 -0.18 1.20 -0.35 -0.01 0.00 0.00 175.02 175.88 2pmc n PRO 61 N 4.47 0.88 0.00 2.03 -0.04 -1.26 -2.55 135.00 138.53 2pmc n PRO 61 Ca -0.21 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2pmc n PRO 61 Cb 0.54 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 2pmc n PRO 61 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2pmc n ASN 62 N -1.95 0.00 -3.52 3.54 3.02 -1.26 -4.59 115.26 110.50 2pmc n ASN 62 Ca 0.15 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.45 2pmc n ASN 62 Cb 0.48 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.19 0.86 3.52 1.75 -1.25 -4.97 119.30 119.39 2pmc s MET 63 Ca 0.00 -0.30 -0.11 0.00 -1.25 0.00 0.00 55.69 54.04 2pmc s MET 63 Cb 0.00 -1.20 0.11 0.00 2.84 0.00 0.00 34.83 36.58 2pmc s MET 63 CO 0.00 -0.92 1.11 0.16 -0.65 0.00 0.00 175.02 174.72 2pmc s ASP 64 N 2.18 3.65 0.42 1.11 1.47 -1.06 -1.59 116.67 122.85 2pmc s ASP 64 Ca 0.08 1.91 0.09 0.00 1.18 0.00 0.00 52.55 55.80 2pmc s ASP 64 Cb -0.16 -2.49 0.91 0.00 -0.34 0.00 0.00 42.92 40.85 2pmc s ASP 64 CO -0.28 -2.59 2.04 1.23 0.68 0.00 0.00 175.17 176.25 2pmc h GLY 65 N -1.52 0.56 0.88 2.12 0.00 -1.09 -0.39 103.07 103.64 2pmc h GLY 65 Ca -0.45 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 46.70 2pmc h GLY 65 CO 0.48 0.18 0.09 -2.00 0.00 0.00 0.00 176.54 175.29 2pmc h LEU 66 N 0.51 0.13 -1.03 3.11 5.85 -1.82 0.49 115.31 122.54 2pmc h LEU 66 Ca 0.18 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 2pmc h LEU 66 Cb 0.08 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2pmc h LEU 66 CO -0.04 0.10 0.09 -0.08 -0.34 0.00 0.00 178.44 178.17 2pmc h GLU 67 N 0.20 0.78 0.15 1.25 4.57 -1.61 -1.06 114.58 118.86 2pmc h GLU 67 Ca 0.09 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2pmc h GLU 67 Cb 0.03 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2pmc h GLU 67 CO -0.07 0.73 -0.07 1.25 -1.18 0.00 0.00 179.01 179.67 2pmc h LEU 68 N 0.75 -0.17 -0.04 1.64 5.85 -0.54 -2.02 115.31 120.78 2pmc h LEU 68 Ca 0.16 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2pmc h LEU 68 Cb 0.32 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2pmc h LEU 68 CO 0.00 -0.00 -0.13 0.25 -0.34 0.00 0.00 178.44 178.22 2pmc h LEU 69 N -0.32 -0.38 -0.78 2.25 5.85 0.44 -0.39 115.31 121.98 2pmc h LEU 69 Ca -0.02 0.06 0.18 0.00 0.84 0.00 0.00 57.88 58.94 2pmc h LEU 69 Cb 0.26 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 41.34 2pmc h LEU 69 CO 0.03 -0.18 0.21 0.11 -0.34 0.00 0.00 178.44 178.27 2pmc h LYS 70 N -0.19 0.27 -0.28 1.25 1.57 -1.17 -1.44 116.57 116.57 2pmc h LYS 70 Ca 0.06 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2pmc h LYS 70 Cb 0.27 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2pmc h LYS 70 CO -0.16 0.18 0.10 1.15 -0.57 0.00 0.00 179.45 180.15 2pmc h THR 71 N 0.27 1.18 -0.91 -0.16 2.02 -0.36 -1.34 112.91 113.62 2pmc h THR 71 Ca 0.45 -0.57 0.13 0.00 0.77 0.00 0.00 66.41 67.19 2pmc h THR 71 Cb 0.81 1.04 -0.07 0.00 -1.74 0.00 0.00 68.15 68.19 2pmc h THR 71 CO -0.54 0.19 0.59 0.40 0.37 0.00 0.00 175.52 176.53 2pmc h ILE 72 N 0.30 0.89 0.00 3.11 2.04 -0.24 -2.28 117.51 121.32 2pmc h ILE 72 Ca 0.09 -0.28 -0.17 0.00 1.00 0.00 0.00 64.86 65.50 2pmc h ILE 72 Cb 0.20 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 2pmc h ILE 72 CO -0.01 0.15 -0.85 0.03 0.00 0.00 0.00 178.15 177.47 2pmc h ARG 73 N 0.81 0.00 0.00 2.37 2.47 -0.81 -2.73 114.38 116.48 2pmc h ARG 73 Ca 0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.17 2pmc h ARG 73 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2pmc h ARG 73 CO -0.21 0.80 0.00 0.00 0.56 0.00 0.00 179.97 181.12 2pmc n ALA 74 N -2.31 2.21 -2.60 0.04 0.00 -0.55 -4.66 120.51 112.65 2pmc n ALA 74 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 2pmc n ALA 74 Cb 0.87 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 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 -3.46 6.58 0.24 0.00 -1.08 -0.89 -4.94 116.67 113.12 2pmc s ASP 75 Ca 0.12 0.49 -0.05 0.00 -0.52 0.00 0.00 52.55 52.59 2pmc s ASP 75 Cb 0.16 -2.38 0.44 0.00 -1.46 0.00 0.00 42.92 39.68 2pmc s ASP 75 CO 0.51 -0.61 1.71 0.77 0.52 0.00 0.00 175.17 178.07 2pmc h SER 76 N 8.25 0.16 -0.52 -0.34 4.64 -1.87 0.73 113.55 124.60 2pmc h SER 76 Ca -0.25 0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.11 2pmc h SER 76 Cb 1.10 0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2pmc h SER 76 CO 0.87 0.05 0.04 0.00 -0.87 0.00 0.00 176.83 176.91 2pmc h ALA 77 N 1.56 1.01 -0.14 5.18 0.00 -1.92 -3.33 119.26 121.61 2pmc h ALA 77 Ca 0.40 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pmc h ALA 77 Cb 0.64 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pmc h ALA 77 CO -0.44 0.62 0.00 -1.33 0.00 0.00 0.00 179.25 178.10 2pmc n MET 78 N -4.21 2.22 -0.35 0.00 2.81 -0.43 -4.78 117.12 112.39 2pmc n MET 78 Ca 0.03 -2.61 0.04 0.00 -1.81 0.00 0.00 57.70 53.35 2pmc n MET 78 Cb 0.30 -1.62 0.20 0.00 -0.71 0.00 0.00 33.22 31.39 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 0.95 0.94 1.24 7.83 4.64 -0.88 -2.71 113.55 125.54 2pmc h SER 79 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2pmc h SER 79 Cb 1.16 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2pmc h SER 79 CO 0.10 0.55 -0.45 0.00 -0.87 0.00 0.00 176.83 176.17 2pmc h ALA 80 N 1.48 0.73 -1.74 5.18 0.00 -1.86 -3.42 119.26 119.64 2pmc h ALA 80 Ca 0.45 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.69 2pmc h ALA 80 Cb 0.32 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.16 2pmc h ALA 80 CO -0.22 0.00 0.52 1.28 0.00 0.00 0.00 179.25 180.83 2pmc n LEU 81 N -2.44 1.85 -4.69 0.00 4.77 -1.02 -4.89 117.00 110.57 2pmc n LEU 81 Ca 0.03 1.11 -0.44 0.00 -0.03 0.00 0.00 56.01 56.69 2pmc n LEU 81 Cb 0.48 -1.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.33 2pmc n LEU 81 CO 0.35 -0.93 1.11 -2.65 -1.33 0.00 0.00 177.39 173.95 2pmc n PRO 82 N 2.78 2.27 -3.67 3.23 -0.02 -1.26 -4.92 135.00 133.41 2pmc n PRO 82 Ca 0.19 0.81 -0.22 0.00 -2.02 0.00 0.00 63.50 62.26 2pmc n PRO 82 Cb 0.20 -2.52 -0.18 0.00 -0.02 0.00 0.00 33.50 30.98 2pmc n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pmc s VAL 83 N 0.08 -0.03 -0.28 -1.45 1.01 -1.26 -0.53 120.40 117.95 2pmc s VAL 83 Ca 0.68 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 2pmc s VAL 83 Cb -0.60 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 2pmc s VAL 83 CO 0.48 0.10 0.12 -0.22 0.00 0.00 0.00 175.10 175.58 2pmc s LEU 84 N 2.13 3.82 -0.04 3.92 2.96 0.97 -0.97 118.68 131.47 2pmc s LEU 84 Ca 0.04 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.31 2pmc s LEU 84 Cb -0.13 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2pmc s LEU 84 CO -0.04 -0.11 0.97 -0.04 -1.32 0.00 0.00 176.35 175.81 2pmc s MET 85 N 1.63 4.51 -0.17 1.98 -1.94 -0.30 -1.35 119.30 123.65 2pmc s MET 85 Ca 0.05 1.38 -0.07 0.00 -1.71 0.00 0.00 55.69 55.35 2pmc s MET 85 Cb -0.16 -3.49 -0.04 0.00 2.01 0.00 0.00 34.83 33.15 2pmc s MET 85 CO 0.06 -0.13 0.06 0.08 -0.01 0.00 0.00 175.02 175.07 2pmc s VAL 86 N 1.33 4.75 0.10 -6.03 1.01 0.92 -0.60 120.40 121.89 2pmc s VAL 86 Ca 0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 2pmc s VAL 86 Cb -0.20 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2pmc s VAL 86 CO 0.24 0.48 0.01 0.28 0.00 0.00 0.00 175.10 176.11 2pmc s THR 87 N 0.24 0.22 -0.13 3.92 -1.32 -0.33 -1.90 115.64 116.35 2pmc s THR 87 Ca 0.04 -1.88 0.19 0.00 -1.21 0.00 0.00 61.69 58.83 2pmc s THR 87 Cb -0.12 -1.82 -0.19 0.00 -1.51 0.00 0.00 72.50 68.86 2pmc s THR 87 CO 0.00 -0.71 0.62 0.00 -2.21 0.00 0.00 174.62 172.33 2pmc n ALA 88 N -0.02 2.09 -3.37 11.08 0.00 -1.26 0.40 120.51 129.43 2pmc n ALA 88 Ca -0.09 -0.66 -0.28 0.00 0.00 0.00 0.00 53.44 52.40 2pmc n ALA 88 Cb 0.62 -0.78 -0.17 0.00 0.00 0.00 0.00 19.45 19.13 2pmc n ALA 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2pmc s GLU 89 N -3.00 2.26 -0.09 0.00 2.12 -1.26 -4.61 118.70 114.11 2pmc s GLU 89 Ca -0.05 -0.61 -0.04 0.00 0.36 0.00 0.00 54.97 54.63 2pmc s GLU 89 Cb 0.09 -1.78 -0.14 0.00 0.26 0.00 0.00 34.13 32.56 2pmc s GLU 89 CO 0.83 0.09 3.11 0.00 -0.54 0.00 0.00 175.26 178.75 2pmc n ALA 90 N 3.71 5.89 -1.67 6.30 0.00 -1.26 -4.94 120.51 128.54 2pmc n ALA 90 Ca -0.21 -1.68 -0.47 0.00 0.00 0.00 0.00 53.44 51.07 2pmc n ALA 90 Cb 0.52 -2.00 -0.04 0.00 0.00 0.00 0.00 19.45 17.93 2pmc n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pmc n LYS 91 N 1.94 2.08 -0.32 0.00 5.02 -1.26 -4.86 118.16 120.76 2pmc n LYS 91 Ca 0.35 0.75 0.18 0.00 -2.02 0.00 0.00 58.31 57.57 2pmc n LYS 91 Cb 0.76 -2.53 0.37 0.00 -0.02 0.00 0.00 35.03 33.62 2pmc n LYS 91 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2pmc h LYS 92 N 6.56 0.35 -0.16 1.97 6.56 -2.00 -1.54 116.57 128.32 2pmc h LYS 92 Ca -0.46 -0.02 -0.14 0.00 -1.06 0.00 0.00 60.65 58.97 2pmc h LYS 92 Cb 1.26 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.83 2pmc h LYS 92 CO 0.89 0.23 -0.51 1.49 -2.06 0.00 0.00 179.45 179.50 2pmc h GLU 93 N 0.37 0.43 0.11 3.15 4.81 -1.99 -2.36 114.58 119.10 2pmc h GLU 93 Ca 0.63 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 2pmc h GLU 93 Cb 1.31 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.72 2pmc h GLU 93 CO -0.57 0.85 -0.05 -0.91 -0.73 0.00 0.00 179.01 177.59 2pmc h ASN 94 N 0.34 -0.12 -0.87 1.04 4.21 -1.68 -1.70 115.58 116.80 2pmc h ASN 94 Ca 0.01 -0.08 0.17 0.00 1.21 0.00 0.00 56.30 57.61 2pmc h ASN 94 Cb 1.02 0.03 -0.07 0.00 -1.12 0.00 0.00 38.32 38.19 2pmc h ASN 94 CO 0.09 0.01 0.57 0.40 -1.29 0.00 0.00 177.43 177.21 2pmc h ILE 95 N -0.25 0.76 0.37 2.81 2.04 -1.20 -0.51 117.51 121.54 2pmc h ILE 95 Ca -0.02 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 2pmc h ILE 95 Cb 0.20 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 2pmc h ILE 95 CO 0.02 0.10 -0.18 0.40 0.00 0.00 0.00 178.15 178.50 2pmc h ILE 96 N 0.54 0.52 -0.59 -0.67 2.04 -1.28 -2.18 117.51 115.90 2pmc h ILE 96 Ca 0.45 -0.62 0.12 0.00 1.00 0.00 0.00 64.86 65.81 2pmc h ILE 96 Cb 0.91 0.77 -0.11 0.00 -0.74 0.00 0.00 36.82 37.65 2pmc h ILE 96 CO -0.19 0.10 -0.15 0.00 0.00 0.00 0.00 178.15 177.90 2pmc h ALA 97 N -0.50 0.37 -0.09 1.87 0.00 -0.37 0.40 119.26 120.93 2pmc h ALA 97 Ca -0.05 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2pmc h ALA 97 Cb 0.54 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2pmc h ALA 97 CO 0.08 -0.44 0.05 0.00 0.00 0.00 0.00 179.25 178.95 2pmc h ALA 98 N 1.57 0.11 -0.27 0.00 0.00 -1.20 -1.32 119.26 118.16 2pmc h ALA 98 Ca 0.28 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2pmc h ALA 98 Cb 0.44 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2pmc h ALA 98 CO -0.61 -0.36 0.06 0.00 0.00 0.00 0.00 179.25 178.35 2pmc h ALA 99 N 0.97 0.29 -0.69 0.00 0.00 -0.63 0.12 119.26 119.31 2pmc h ALA 99 Ca 0.03 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.12 2pmc h ALA 99 Cb 0.06 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 2pmc h ALA 99 CO -0.01 -0.35 0.21 1.96 0.00 0.00 0.00 179.25 181.06 2pmc h GLN 100 N 0.17 0.33 -0.01 0.00 4.20 0.06 -1.57 115.11 118.29 2pmc h GLN 100 Ca 0.13 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2pmc h GLN 100 Cb 0.12 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2pmc h GLN 100 CO -0.16 0.22 -0.06 0.00 -0.67 0.00 0.00 178.83 178.16 2pmc n ALA 101 N -2.57 2.71 -0.28 3.87 0.00 -0.52 -4.89 120.51 118.83 2pmc n ALA 101 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2pmc n ALA 101 Cb 0.39 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2pmc n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pmc n GLY 102 N 1.19 1.42 3.73 0.00 0.00 -0.59 -4.54 105.19 106.39 2pmc n GLY 102 Ca 0.18 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 3.80 0.18 4.61 0.00 0.33 -4.85 121.76 123.83 2pmc s ALA 103 Ca 0.00 1.46 0.27 0.00 0.00 0.00 0.00 51.96 53.69 2pmc s ALA 103 Cb 0.00 -3.64 1.11 0.00 0.00 0.00 0.00 23.12 20.59 2pmc s ALA 103 CO 0.00 -0.85 1.90 0.77 0.00 0.00 0.00 175.76 177.58 2pmc h SER 104 N 6.26 0.00 0.00 0.00 0.02 -1.39 -3.43 113.55 115.01 2pmc h SER 104 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2pmc h SER 104 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2pmc h SER 104 CO 0.89 0.16 0.00 0.61 -1.14 0.00 0.00 176.83 177.35 2pmc n GLY 105 N -0.01 -1.31 3.54 -3.77 0.00 -1.21 -4.80 105.19 97.64 2pmc n GLY 105 Ca -0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 46.02 44.95 2pmc n GLY 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pmc s TYR 106 N -2.08 -1.14 -0.00 1.61 6.14 -1.26 -1.15 117.35 119.46 2pmc s TYR 106 Ca 0.00 2.07 0.01 0.00 0.64 0.00 0.00 57.07 59.79 2pmc s TYR 106 Cb 0.00 0.64 -0.00 0.00 0.42 0.00 0.00 41.96 43.02 2pmc s TYR 106 CO 0.00 -0.59 -0.04 0.54 0.64 0.00 0.00 175.55 176.10 2pmc s VAL 107 N 2.59 0.34 0.04 3.14 0.11 0.23 -4.96 120.40 121.88 2pmc s VAL 107 Ca -0.06 -0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 58.68 2pmc s VAL 107 Cb -0.11 -0.30 -0.06 0.00 -1.53 0.00 0.00 36.38 34.39 2pmc s VAL 107 CO -0.17 0.10 0.41 -0.69 -3.33 0.00 0.00 175.10 171.41 2pmc s VAL 108 N -0.08 5.05 0.08 2.04 1.01 -1.26 -1.18 120.40 126.06 2pmc s VAL 108 Ca 0.01 0.68 -0.10 0.00 0.00 0.00 0.00 61.98 62.58 2pmc s VAL 108 Cb -0.02 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 2pmc s VAL 108 CO -0.00 0.45 0.40 -1.59 0.00 0.00 0.00 175.10 174.36 2pmc s LYS 109 N -1.45 3.76 0.46 2.72 -2.85 0.16 -3.70 119.74 118.84 2pmc s LYS 109 Ca 0.28 0.17 -0.20 0.00 -1.00 0.00 0.00 55.97 55.22 2pmc s LYS 109 Cb -0.15 -2.98 -0.10 0.00 -2.06 0.00 0.00 37.83 32.53 2pmc s LYS 109 CO 0.15 0.55 0.97 -1.25 0.10 0.00 0.00 175.35 175.87 2pmc s PRO 110 N -1.96 4.11 0.05 1.78 0.04 -1.26 -4.62 135.00 133.15 2pmc s PRO 110 Ca 0.34 1.11 0.02 0.00 0.04 0.00 0.00 61.00 62.51 2pmc s PRO 110 Cb -0.14 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2pmc s PRO 110 CO 0.18 -0.13 -0.08 -0.59 0.04 0.00 0.00 177.00 176.42 2pmc s PHE 111 N -2.25 0.75 0.37 0.56 -0.12 -1.24 -5.16 117.98 110.89 2pmc s PHE 111 Ca 0.62 -0.55 0.07 0.00 -0.05 0.00 0.00 56.93 57.02 2pmc s PHE 111 Cb -0.10 -0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 41.84 2pmc s PHE 111 CO 0.18 -0.08 0.48 0.95 -0.05 0.00 0.00 175.22 176.69 2pmc s THR 112 N -1.69 3.50 0.13 -4.49 -4.23 -1.26 -4.97 115.64 102.64 2pmc s THR 112 Ca -0.06 -1.07 -0.19 0.00 -1.18 0.00 0.00 61.69 59.19 2pmc s THR 112 Cb -0.08 -3.20 -0.05 0.00 1.34 0.00 0.00 72.50 70.51 2pmc s THR 112 CO -0.00 -0.09 1.76 0.00 -0.54 0.00 0.00 174.62 175.75 2pmc h ALA 113 N 0.86 0.27 -0.83 3.99 0.00 -2.00 -1.34 119.26 120.21 2pmc h ALA 113 Ca -0.43 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.59 2pmc h ALA 113 Cb 1.27 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 2pmc h ALA 113 CO 0.51 -0.30 -0.48 0.00 0.00 0.00 0.00 179.25 178.98 2pmc h ALA 114 N 1.12 -0.29 -0.63 0.00 0.00 -1.99 -1.13 119.26 116.34 2pmc h ALA 114 Ca 0.09 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2pmc h ALA 114 Cb 0.03 1.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 2pmc h ALA 114 CO -0.07 -0.83 0.32 1.15 0.00 0.00 0.00 179.25 179.81 2pmc h THR 115 N -0.10 0.90 -0.36 0.00 2.02 -1.65 -2.13 112.91 111.59 2pmc h THR 115 Ca 0.21 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2pmc h THR 115 Cb 0.52 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2pmc h THR 115 CO -0.85 0.11 0.14 0.25 0.37 0.00 0.00 175.52 175.53 2pmc h LEU 116 N 0.58 0.51 -1.48 2.58 5.85 -0.81 -2.83 115.31 119.70 2pmc h LEU 116 Ca 0.29 -0.18 0.17 0.00 0.84 0.00 0.00 57.88 59.01 2pmc h LEU 116 Cb 0.25 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2pmc h LEU 116 CO -0.22 0.55 0.56 -0.08 -0.34 0.00 0.00 178.44 178.91 2pmc h GLU 117 N 0.44 0.46 0.00 1.25 4.81 -0.56 0.91 114.58 121.89 2pmc h GLU 117 Ca 0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2pmc h GLU 117 Cb 0.21 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2pmc h GLU 117 CO -0.01 0.30 0.00 0.39 -0.73 0.00 0.00 179.01 178.97 2pmc n GLU 118 N -4.51 0.00 -0.24 1.92 1.02 -1.09 -1.43 120.64 116.31 2pmc n GLU 118 Ca 0.17 0.47 0.04 0.00 -0.02 0.00 0.00 57.16 57.82 2pmc n GLU 118 Cb 0.59 -1.44 0.15 0.00 -0.02 0.00 0.00 31.44 30.71 2pmc n GLU 118 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2pmc h LYS 119 N 0.00 0.13 0.41 3.49 1.79 -1.09 1.10 116.57 122.40 2pmc h LYS 119 Ca 0.00 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2pmc h LYS 119 Cb 0.00 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2pmc h LYS 119 CO 0.00 0.08 -0.21 -0.07 -1.08 0.00 0.00 179.45 178.18 2pmc h LEU 120 N 0.13 -0.50 -0.48 2.94 3.38 -0.94 -0.62 115.31 119.22 2pmc h LEU 120 Ca 0.39 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.45 2pmc h LEU 120 Cb 0.67 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 2pmc h LEU 120 CO -0.61 -0.35 0.14 0.78 0.09 0.00 0.00 178.44 178.50 2pmc h ASN 121 N -0.57 0.10 -0.37 -0.43 4.21 0.53 0.30 115.58 119.34 2pmc h ASN 121 Ca -0.05 0.07 0.07 0.00 1.21 0.00 0.00 56.30 57.59 2pmc h ASN 121 Cb 0.44 0.07 -0.09 0.00 -1.12 0.00 0.00 38.32 37.63 2pmc h ASN 121 CO 0.08 0.09 -0.42 0.11 -1.29 0.00 0.00 177.43 175.99 2pmc h LYS 122 N 0.30 -0.33 -0.87 0.81 1.57 0.14 0.44 116.57 118.62 2pmc h LYS 122 Ca 0.23 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2pmc h LYS 122 Cb 0.28 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 2pmc h LYS 122 CO -0.27 -0.22 0.51 0.82 -0.57 0.00 0.00 179.45 179.72 2pmc h ILE 123 N -0.34 1.25 -0.14 1.86 2.04 -0.63 -1.29 117.51 120.24 2pmc h ILE 123 Ca 0.13 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 2pmc h ILE 123 Cb 0.59 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2pmc h ILE 123 CO -0.55 0.26 0.00 -0.26 0.00 0.00 0.00 178.15 177.60 2pmc h PHE 124 N 1.21 0.20 -0.25 1.37 0.04 -0.20 -2.90 116.94 116.40 2pmc h PHE 124 Ca 0.31 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.98 2pmc h PHE 124 Cb -0.03 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.01 2pmc h PHE 124 CO 0.01 0.21 0.12 0.39 -0.60 0.00 0.00 178.31 178.44 2pmc n GLU 125 N -4.42 1.69 0.00 1.51 1.02 0.07 -1.56 120.64 118.96 2pmc n GLU 125 Ca -0.01 -0.93 0.00 0.00 -0.02 0.00 0.00 57.16 56.21 2pmc n GLU 125 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2pmc n GLU 125 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2pmc n LYS 126 N 0.08 0.00 0.00 3.49 3.00 -1.10 -4.79 118.16 118.83 2pmc n LYS 126 Ca 0.14 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.58 2pmc n LYS 126 Cb 0.73 -0.64 0.28 0.00 0.00 0.00 0.00 35.03 35.40 2pmc n LYS 126 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2pmc n LEU 127 N -1.98 2.03 -2.96 3.14 4.77 -1.18 -5.00 117.00 115.82 2pmc n LEU 127 Ca 0.00 -0.68 -0.01 0.00 -0.03 0.00 0.00 56.01 55.29 2pmc n LEU 127 Cb 0.20 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2pmc n LEU 127 CO 0.00 0.35 0.30 0.61 -1.33 0.00 0.00 177.39 177.32 2pmc n GLY 128 N 1.30 -1.21 0.00 -0.72 0.00 -0.60 -5.09 105.19 98.87 2pmc n GLY 128 Ca 0.15 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2pmc n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35