#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 2.27 0.09 0.00 -0.08 -1.26 -4.91 116.55 112.65 2pmc n ASP 3 Ca 0.00 1.16 -0.02 0.00 -1.51 0.00 0.00 54.79 54.42 2pmc n ASP 3 Cb 0.00 -1.38 -0.05 0.00 2.34 0.00 0.00 41.12 42.02 2pmc n ASP 3 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2pmc h LYS 4 N 3.31 0.00 0.00 -0.67 1.79 -1.99 -3.23 116.57 115.78 2pmc h LYS 4 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2pmc h LYS 4 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 2pmc h LYS 4 CO 0.69 0.67 0.00 0.39 -1.08 0.00 0.00 179.45 180.12 2pmc n GLU 5 N -3.23 0.96 -1.69 3.15 -0.58 -1.26 -4.16 120.64 113.84 2pmc n GLU 5 Ca -0.01 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.29 2pmc n GLU 5 Cb 0.85 -1.42 -0.02 0.00 -0.57 0.00 0.00 31.44 30.27 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 -0.92 3.38 -4.60 -4.62 7.94 -1.22 -4.83 117.00 112.13 2pmc n LEU 6 Ca 0.20 1.14 -0.41 0.00 -1.11 0.00 0.00 56.01 55.82 2pmc n LEU 6 Cb 0.09 -1.46 -0.06 0.00 0.53 0.00 0.00 43.42 42.51 2pmc n LEU 6 CO 0.15 -0.34 0.44 -0.75 -1.11 0.00 0.00 177.39 175.78 2pmc s LYS 7 N -0.37 3.88 0.12 1.96 2.20 -1.26 -4.33 119.74 121.94 2pmc s LYS 7 Ca 0.68 0.34 -0.00 0.00 -0.36 0.00 0.00 55.97 56.62 2pmc s LYS 7 Cb -0.62 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 31.92 2pmc s LYS 7 CO 0.49 -0.63 0.29 -0.06 -0.36 0.00 0.00 175.35 175.07 2pmc s PHE 8 N 2.73 3.50 -0.19 4.03 0.40 0.19 -0.67 117.98 127.97 2pmc s PHE 8 Ca 0.27 0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.88 2pmc s PHE 8 Cb -0.15 -1.78 0.04 0.00 0.51 0.00 0.00 43.02 41.64 2pmc s PHE 8 CO 0.13 0.51 -0.10 -1.17 0.70 0.00 0.00 175.22 175.29 2pmc s LEU 9 N -2.89 2.14 -0.29 -0.37 2.96 -0.41 -0.82 118.68 119.00 2pmc s LEU 9 Ca 0.36 -0.83 -0.11 0.00 -0.22 0.00 0.00 54.13 53.34 2pmc s LEU 9 Cb -0.12 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 2pmc s LEU 9 CO 0.28 -0.15 0.18 -0.69 -1.32 0.00 0.00 176.35 174.65 2pmc s VAL 10 N 1.44 5.11 -0.18 1.68 1.01 0.15 -0.92 120.40 128.69 2pmc s VAL 10 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2pmc s VAL 10 Cb -0.16 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2pmc s VAL 10 CO -0.08 0.21 -0.17 -0.69 0.00 0.00 0.00 175.10 174.37 2pmc s VAL 11 N 1.72 2.39 -0.28 2.92 1.01 0.04 -1.57 120.40 126.63 2pmc s VAL 11 Ca 0.07 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 2pmc s VAL 11 Cb -0.16 -2.02 0.11 0.00 0.00 0.00 0.00 36.38 34.31 2pmc s VAL 11 CO 0.10 0.52 0.98 -0.62 0.00 0.00 0.00 175.10 176.07 2pmc s ASP 12 N 1.22 -0.50 0.35 3.32 -1.08 -0.28 -0.46 116.67 119.24 2pmc s ASP 12 Ca 0.03 0.96 0.08 0.00 -0.52 0.00 0.00 52.55 53.10 2pmc s ASP 12 Cb -0.14 0.98 0.65 0.00 -1.46 0.00 0.00 42.92 42.95 2pmc s ASP 12 CO -0.08 -0.17 1.83 -2.24 0.52 0.00 0.00 175.17 175.03 2pmc h ASP 13 N 4.35 0.25 -3.35 -0.34 2.03 -1.79 -3.37 116.42 114.19 2pmc h ASP 13 Ca -0.28 -0.07 -0.57 0.00 -0.73 0.00 0.00 57.03 55.38 2pmc h ASP 13 Cb 1.17 -0.07 -0.07 0.00 -0.83 0.00 0.00 39.33 39.54 2pmc h ASP 13 CO 0.10 0.49 -0.01 -0.36 -1.03 0.00 0.00 179.24 178.42 2pmc s PHE 14 N -4.53 3.53 -0.09 4.15 2.99 -1.26 -4.97 117.98 117.80 2pmc s PHE 14 Ca -0.05 1.05 0.19 0.00 0.00 0.00 0.00 56.93 58.12 2pmc s PHE 14 Cb 0.15 -2.69 0.41 0.00 0.00 0.00 0.00 43.02 40.89 2pmc s PHE 14 CO 0.75 0.10 1.60 0.66 -0.00 0.00 0.00 175.22 178.33 2pmc h SER 15 N 6.82 0.00 -0.16 1.36 4.64 -1.99 -2.62 113.55 121.60 2pmc h SER 15 Ca -0.40 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.88 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 0.76 0.34 -0.07 0.74 -0.87 0.00 0.00 176.83 177.73 2pmc h THR 16 N 0.00 1.31 -0.81 2.95 2.02 -1.97 0.44 112.91 116.85 2pmc h THR 16 Ca -0.00 -1.09 0.06 0.00 0.77 0.00 0.00 66.41 66.14 2pmc h THR 16 Cb 1.10 1.70 -0.06 0.00 -1.74 0.00 0.00 68.15 69.16 2pmc h THR 16 CO 0.04 0.32 0.50 -0.03 0.37 0.00 0.00 175.52 176.72 2pmc h MET 17 N -0.00 0.89 -0.68 6.66 -1.53 -1.96 0.19 114.93 118.49 2pmc h MET 17 Ca 0.04 -0.05 0.03 0.00 -3.44 0.00 0.00 59.70 56.27 2pmc h MET 17 Cb 0.53 -0.20 -0.04 0.00 -0.55 0.00 0.00 31.60 31.34 2pmc h MET 17 CO 0.02 0.59 0.43 0.00 0.14 0.00 0.00 176.91 178.09 2pmc h ARG 18 N 0.91 0.82 -0.10 0.39 3.08 -1.16 -0.98 114.38 117.34 2pmc h ARG 18 Ca 0.35 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 60.17 2pmc h ARG 18 Cb 0.15 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2pmc h ARG 18 CO -0.17 0.54 -0.71 -0.09 -1.07 0.00 0.00 179.97 178.47 2pmc h ARG 19 N 0.84 0.47 0.61 0.04 2.43 0.13 -0.56 114.38 118.35 2pmc h ARG 19 Ca 0.27 -0.38 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2pmc h ARG 19 Cb 0.01 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2pmc h ARG 19 CO -0.10 1.01 -0.45 0.82 -1.51 0.00 0.00 179.97 179.73 2pmc h ILE 20 N 0.33 0.10 -0.81 1.20 2.04 -0.46 -1.00 117.51 118.89 2pmc h ILE 20 Ca -0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.90 2pmc h ILE 20 Cb 1.29 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 2pmc h ILE 20 CO 0.13 0.00 0.49 0.58 0.00 0.00 0.00 178.15 179.35 2pmc h VAL 21 N -1.03 1.01 0.14 1.67 2.07 -1.13 -0.85 116.25 118.14 2pmc h VAL 21 Ca -0.07 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.15 2pmc h VAL 21 Cb 0.86 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2pmc h VAL 21 CO 0.03 0.16 -0.19 -0.09 0.02 0.00 0.00 177.57 177.50 2pmc h ARG 22 N 0.89 -0.37 -0.68 1.57 2.43 -0.90 -1.06 114.38 116.26 2pmc h ARG 22 Ca 0.36 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.53 2pmc h ARG 22 Cb 0.19 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2pmc h ARG 22 CO -0.18 -0.25 0.32 -0.91 -1.51 0.00 0.00 179.97 177.44 2pmc h ASN 23 N -0.39 0.88 -0.63 -3.80 2.35 -0.69 -1.92 115.58 111.39 2pmc h ASN 23 Ca 0.02 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 2pmc h ASN 23 Cb 0.39 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 2pmc h ASN 23 CO -0.08 0.75 0.38 -0.07 -1.65 0.00 0.00 177.43 176.77 2pmc h LEU 24 N 0.97 0.62 -0.82 1.61 3.38 -0.83 -0.65 115.31 119.59 2pmc h LEU 24 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2pmc h LEU 24 Cb 0.11 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2pmc h LEU 24 CO -0.03 0.43 0.46 -0.07 0.09 0.00 0.00 178.44 179.33 2pmc h LEU 25 N 0.75 1.01 -0.61 1.67 3.38 -0.77 -2.15 115.31 118.59 2pmc h LEU 25 Ca 0.25 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.18 2pmc h LEU 25 Cb 0.03 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 2pmc h LEU 25 CO -0.11 0.80 0.35 0.50 0.09 0.00 0.00 178.44 180.07 2pmc h LYS 26 N 1.13 0.64 -0.85 1.13 3.64 -0.71 0.14 116.57 121.69 2pmc h LYS 26 Ca 0.29 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 2pmc h LYS 26 Cb 0.01 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 2pmc h LYS 26 CO -0.05 0.42 0.55 1.49 -2.27 0.00 0.00 179.45 179.59 2pmc h GLU 27 N 0.66 1.04 0.00 1.90 4.81 -0.52 -0.34 114.58 122.12 2pmc h GLU 27 Ca 0.26 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2pmc h GLU 27 Cb 0.12 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2pmc h GLU 27 CO -0.15 0.69 0.00 1.28 -0.73 0.00 0.00 179.01 180.10 2pmc n LEU 28 N -4.55 0.00 0.00 1.64 4.77 -0.90 -4.87 117.00 113.09 2pmc n LEU 28 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2pmc n LEU 28 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2pmc n LEU 28 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2pmc n GLY 29 N 0.77 0.86 3.20 -0.72 0.00 -0.14 -5.06 105.19 104.10 2pmc n GLY 29 Ca 0.18 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 3.26 -0.82 1.61 0.08 0.46 -4.76 117.98 115.81 2pmc s PHE 30 Ca 0.00 -1.74 0.13 0.00 0.12 0.00 0.00 56.93 55.44 2pmc s PHE 30 Cb 0.00 -2.17 -0.09 0.00 -0.57 0.00 0.00 43.02 40.19 2pmc s PHE 30 CO 0.00 -0.78 0.62 0.09 -0.10 0.00 0.00 175.22 175.05 2pmc n ASN 31 N 4.68 0.90 -4.33 1.36 3.02 -1.26 -2.64 115.26 116.99 2pmc n ASN 31 Ca -0.13 -0.95 -0.47 0.00 -0.03 0.00 0.00 54.58 53.01 2pmc n ASN 31 Cb 0.44 0.82 -0.03 0.00 -0.61 0.00 0.00 39.78 40.40 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 -2.02 6.67 -0.01 6.41 2.47 -1.26 -5.00 114.94 122.19 2pmc s ASN 32 Ca 0.07 -2.55 0.03 0.00 0.42 0.00 0.00 52.86 50.83 2pmc s ASN 32 Cb 0.10 -2.21 -0.00 0.00 -1.45 0.00 0.00 41.25 37.69 2pmc s ASN 32 CO 0.46 -0.62 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.44 2pmc s VAL 33 N 0.39 0.72 0.20 -5.21 1.01 -1.26 0.55 120.40 116.80 2pmc s VAL 33 Ca 0.15 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2pmc s VAL 33 Cb -0.13 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 2pmc s VAL 33 CO -0.07 0.21 -0.06 -1.61 0.00 0.00 0.00 175.10 173.57 2pmc s GLU 34 N -0.13 1.24 0.23 2.72 2.02 0.00 -4.94 118.70 119.83 2pmc s GLU 34 Ca 0.02 -1.58 0.10 0.00 0.02 0.00 0.00 54.97 53.53 2pmc s GLU 34 Cb -0.04 -0.69 -0.05 0.00 0.10 0.00 0.00 34.13 33.45 2pmc s GLU 34 CO -0.00 0.00 -0.20 -1.21 0.02 0.00 0.00 175.26 173.88 2pmc s GLU 35 N -3.79 1.50 0.04 1.61 2.02 -1.26 0.34 118.70 119.17 2pmc s GLU 35 Ca 0.23 -1.61 -0.15 0.00 0.02 0.00 0.00 54.97 53.46 2pmc s GLU 35 Cb 0.04 -1.59 0.02 0.00 0.10 0.00 0.00 34.13 32.70 2pmc s GLU 35 CO 0.05 0.31 0.33 0.00 0.02 0.00 0.00 175.26 175.97 2pmc s ALA 36 N -2.32 -0.75 -0.88 5.21 0.00 -0.61 -4.90 121.76 117.51 2pmc s ALA 36 Ca 0.24 0.08 0.21 0.00 0.00 0.00 0.00 51.96 52.49 2pmc s ALA 36 Cb -0.05 0.32 -0.21 0.00 0.00 0.00 0.00 23.12 23.18 2pmc s ALA 36 CO 0.11 -0.42 0.87 -0.85 0.00 0.00 0.00 175.76 175.47 2pmc n GLU 37 N 0.59 0.08 -3.76 0.00 0.28 -1.26 -1.13 120.64 115.45 2pmc n GLU 37 Ca -0.19 -0.02 -0.10 0.00 -0.16 0.00 0.00 57.16 56.69 2pmc n GLU 37 Cb 0.59 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.97 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 -1.60 -2.02 -0.19 -1.84 5.68 -1.26 -3.05 116.55 112.28 2pmc n ASP 38 Ca 0.03 -2.63 -0.02 0.00 -0.50 0.00 0.00 54.79 51.67 2pmc n ASP 38 Cb 0.36 3.43 0.20 0.00 -1.14 0.00 0.00 41.12 43.97 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 1.93 1.01 0.97 6.12 0.00 -1.70 0.88 103.07 112.27 2pmc h GLY 39 Ca -0.31 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.41 2pmc h GLY 39 CO 0.40 0.46 -0.32 -2.08 0.00 0.00 0.00 176.54 175.00 2pmc h VAL 40 N 0.94 1.31 -0.50 4.60 2.07 -1.93 0.12 116.25 122.85 2pmc h VAL 40 Ca 0.23 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 66.27 2pmc h VAL 40 Cb 0.10 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2pmc h VAL 40 CO -0.03 0.48 0.30 -0.78 0.02 0.00 0.00 177.57 177.56 2pmc h ASP 41 N 0.42 0.49 0.32 0.57 3.58 -1.91 -1.19 116.42 118.71 2pmc h ASP 41 Ca 0.04 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2pmc h ASP 41 Cb 0.90 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.84 2pmc h ASP 41 CO 0.08 0.35 -0.19 0.00 -2.88 0.00 0.00 179.24 176.60 2pmc h ALA 42 N 1.22 -0.48 -0.84 -0.78 0.00 -0.57 -2.56 119.26 115.26 2pmc h ALA 42 Ca 0.20 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2pmc h ALA 42 Cb 0.01 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2pmc h ALA 42 CO -0.09 -0.78 0.55 -0.07 0.00 0.00 0.00 179.25 178.87 2pmc h LEU 43 N -0.49 0.84 -1.30 0.00 3.38 -0.60 0.79 115.31 117.93 2pmc h LEU 43 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2pmc h LEU 43 Cb 0.40 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2pmc h LEU 43 CO 0.04 0.55 0.22 0.78 0.09 0.00 0.00 178.44 180.12 2pmc h ASN 44 N 0.96 0.63 0.69 -0.43 2.35 -0.94 -2.29 115.58 116.55 2pmc h ASN 44 Ca 0.35 -0.06 -0.26 0.00 -0.55 0.00 0.00 56.30 55.78 2pmc h ASN 44 Cb 0.17 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 2pmc h ASN 44 CO -0.12 0.55 -1.37 0.11 -1.65 0.00 0.00 177.43 174.95 2pmc h LYS 45 N 0.70 0.07 -0.54 0.81 1.57 -0.84 -3.30 116.57 115.03 2pmc h LYS 45 Ca 0.17 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2pmc h LYS 45 Cb 0.10 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2pmc h LYS 45 CO -0.02 0.86 0.26 -0.07 -0.57 0.00 0.00 179.45 179.91 2pmc h LEU 46 N 0.02 0.68 0.00 2.94 3.38 -0.64 -2.03 115.31 119.65 2pmc h LEU 46 Ca -0.16 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2pmc h LEU 46 Cb 1.91 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.49 2pmc h LEU 46 CO 0.12 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.23 2pmc n GLN 47 N -4.37 0.20 0.00 1.13 6.02 -0.88 -1.04 117.38 118.44 2pmc n GLN 47 Ca 0.05 0.12 0.13 0.00 -0.01 0.00 0.00 57.00 57.29 2pmc n GLN 47 Cb 0.13 -1.50 0.58 0.00 1.02 0.00 0.00 30.24 30.46 2pmc n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pmc n ALA 48 N -1.34 2.22 -0.50 -1.58 0.00 -0.76 -5.05 120.51 113.50 2pmc n ALA 48 Ca 0.08 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2pmc n ALA 48 Cb 0.17 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 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 1.21 -2.43 0.00 0.00 0.00 -0.20 -4.99 105.19 98.76 2pmc n GLY 49 Ca 0.07 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.02 1.77 3.75 -0.02 0.00 -1.26 -4.97 105.19 101.44 2pmc n GLY 50 Ca -0.02 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.37 3.55 0.00 1.61 0.40 -1.26 -4.58 117.98 116.32 2pmc s PHE 51 Ca 0.00 1.65 0.00 0.00 -0.60 0.00 0.00 56.93 57.98 2pmc s PHE 51 Cb 0.00 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.22 2pmc s PHE 51 CO 0.00 -0.67 0.53 0.41 0.70 0.00 0.00 175.22 176.18 2pmc n GLY 52 N 1.38 -1.08 3.64 4.36 0.00 0.15 -4.96 105.19 108.68 2pmc n GLY 52 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.08 -0.81 -0.14 1.61 2.19 -1.08 -4.34 117.98 115.33 2pmc s PHE 53 Ca 0.00 1.77 0.00 0.00 0.33 0.00 0.00 56.93 59.03 2pmc s PHE 53 Cb 0.00 0.44 -0.01 0.00 -1.31 0.00 0.00 43.02 42.14 2pmc s PHE 53 CO 0.00 -0.40 -0.15 0.42 1.83 0.00 0.00 175.22 176.92 2pmc s ILE 54 N 0.98 2.83 -0.28 3.12 -1.09 0.56 -1.29 121.20 126.03 2pmc s ILE 54 Ca -0.05 -0.73 -0.04 0.00 -2.23 0.00 0.00 60.65 57.60 2pmc s ILE 54 Cb -0.05 -2.18 0.02 0.00 -1.58 0.00 0.00 42.46 38.68 2pmc s ILE 54 CO -0.11 0.52 0.01 -0.63 -1.23 0.00 0.00 174.94 173.51 2pmc s ILE 55 N 0.51 3.36 -0.05 2.92 1.01 -0.10 0.25 121.20 129.09 2pmc s ILE 55 Ca -0.10 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.64 2pmc s ILE 55 Cb -0.16 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 2pmc s ILE 55 CO 0.04 0.08 -0.24 -0.55 0.00 0.00 0.00 174.94 174.28 2pmc s SER 56 N 1.38 2.88 0.72 3.58 0.15 0.23 -0.78 113.70 121.86 2pmc s SER 56 Ca 0.00 -0.48 -0.13 0.00 0.70 0.00 0.00 55.95 56.05 2pmc s SER 56 Cb -0.18 -0.75 0.03 0.00 -1.71 0.00 0.00 66.02 63.42 2pmc s SER 56 CO -0.01 0.23 1.10 -0.62 1.20 0.00 0.00 173.24 175.15 2pmc s ASP 57 N -0.17 4.75 -0.16 5.45 2.15 0.39 -0.55 116.67 128.54 2pmc s ASP 57 Ca -0.02 1.93 -0.14 0.00 0.43 0.00 0.00 52.55 54.74 2pmc s ASP 57 Cb -0.13 -2.54 -0.11 0.00 -0.30 0.00 0.00 42.92 39.84 2pmc s ASP 57 CO 0.03 -1.87 0.12 -0.25 -0.17 0.00 0.00 175.17 173.03 2pmc h TRP 58 N -0.57 0.00 -3.22 -5.34 2.91 -1.71 -3.11 115.95 104.90 2pmc h TRP 58 Ca -0.45 0.00 -0.69 0.00 1.13 0.00 0.00 58.89 58.88 2pmc h TRP 58 Cb 1.24 0.00 -0.19 0.00 -0.51 0.00 0.00 29.16 29.70 2pmc h TRP 58 CO 0.56 0.63 0.01 -0.80 -1.03 0.00 0.00 178.44 177.80 2pmc s ASN 59 N -6.13 6.21 -0.07 2.65 0.01 -1.26 -1.02 114.94 115.33 2pmc s ASN 59 Ca -0.17 -1.02 -0.03 0.00 -0.71 0.00 0.00 52.86 50.92 2pmc s ASN 59 Cb 0.02 -2.28 0.04 0.00 0.41 0.00 0.00 41.25 39.44 2pmc s ASN 59 CO 0.37 -0.89 0.15 -0.04 -1.51 0.00 0.00 177.10 175.18 2pmc s MET 60 N 2.51 0.10 0.78 -0.60 -1.94 -1.26 -4.77 119.30 114.12 2pmc s MET 60 Ca 0.13 0.37 -0.14 0.00 -1.71 0.00 0.00 55.69 54.34 2pmc s MET 60 Cb -0.20 -0.16 0.06 0.00 2.01 0.00 0.00 34.83 36.53 2pmc s MET 60 CO 0.11 -0.16 1.14 -0.35 -0.01 0.00 0.00 175.02 175.75 2pmc n PRO 61 N 4.13 0.32 0.00 2.03 -0.04 -1.26 -2.63 135.00 137.54 2pmc n PRO 61 Ca -0.26 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2pmc n PRO 61 Cb 0.52 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 -2.77 0.00 -3.22 3.54 4.13 -1.26 -4.64 115.26 111.04 2pmc n ASN 62 Ca 0.13 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.39 2pmc n ASN 62 Cb 0.50 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.71 2pmc n ASN 62 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 2pmc s MET 63 N 0.00 0.49 0.94 3.52 -2.45 -1.25 -4.96 119.30 115.60 2pmc s MET 63 Ca 0.00 0.79 -0.12 0.00 -1.25 0.00 0.00 55.69 55.11 2pmc s MET 63 Cb 0.00 0.18 0.15 0.00 1.25 0.00 0.00 34.83 36.42 2pmc s MET 63 CO 0.00 -0.68 1.09 0.16 1.05 0.00 0.00 175.02 176.64 2pmc s ASP 64 N 2.75 3.10 0.39 1.11 1.47 -1.08 -2.09 116.67 122.32 2pmc s ASP 64 Ca 0.17 1.35 0.12 0.00 1.18 0.00 0.00 52.55 55.37 2pmc s ASP 64 Cb -0.15 -2.03 0.91 0.00 -0.34 0.00 0.00 42.92 41.32 2pmc s ASP 64 CO -0.20 -2.85 1.90 1.23 0.68 0.00 0.00 175.17 175.92 2pmc h GLY 65 N -1.70 0.97 0.86 2.12 0.00 -1.00 -1.38 103.07 102.94 2pmc h GLY 65 Ca -0.52 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 2pmc h GLY 65 CO 0.56 0.09 0.04 -2.00 0.00 0.00 0.00 176.54 175.23 2pmc h LEU 66 N 0.58 0.39 -0.64 3.11 5.85 -1.83 0.12 115.31 122.90 2pmc h LEU 66 Ca 0.41 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2pmc h LEU 66 Cb 0.74 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 2pmc h LEU 66 CO -0.16 0.55 0.23 -0.08 -0.34 0.00 0.00 178.44 178.64 2pmc h GLU 67 N 0.22 0.97 0.37 1.25 4.57 -1.79 -1.36 114.58 118.81 2pmc h GLU 67 Ca 0.08 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 2pmc h GLU 67 Cb 0.33 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2pmc h GLU 67 CO 0.00 0.83 -0.28 1.25 -1.18 0.00 0.00 179.01 179.64 2pmc h LEU 68 N 0.90 -0.73 -0.29 1.64 5.85 -1.04 -0.31 115.31 121.33 2pmc h LEU 68 Ca 0.21 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.05 2pmc h LEU 68 Cb 0.24 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 2pmc h LEU 68 CO -0.01 -0.42 -0.18 0.25 -0.34 0.00 0.00 178.44 177.74 2pmc h LEU 69 N -0.65 -0.59 -0.95 2.25 5.85 -0.52 0.31 115.31 121.01 2pmc h LEU 69 Ca -0.03 0.13 0.18 0.00 0.84 0.00 0.00 57.88 58.99 2pmc h LEU 69 Cb 0.56 0.31 -0.10 0.00 0.37 0.00 0.00 40.66 41.79 2pmc h LEU 69 CO -0.00 -0.21 0.55 0.11 -0.34 0.00 0.00 178.44 178.54 2pmc h LYS 70 N -0.15 0.69 0.04 1.25 1.57 -0.97 -0.93 116.57 118.07 2pmc h LYS 70 Ca 0.16 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2pmc h LYS 70 Cb 0.38 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2pmc h LYS 70 CO -0.38 0.45 -0.02 1.15 -0.57 0.00 0.00 179.45 180.08 2pmc h THR 71 N 0.71 1.20 -0.88 -0.16 2.02 0.83 -1.83 112.91 114.80 2pmc h THR 71 Ca 0.54 -0.77 0.23 0.00 0.77 0.00 0.00 66.41 67.18 2pmc h THR 71 Cb 0.82 1.71 -0.14 0.00 -1.74 0.00 0.00 68.15 68.80 2pmc h THR 71 CO -0.38 0.20 0.28 0.40 0.37 0.00 0.00 175.52 176.38 2pmc h ILE 72 N -0.40 0.36 0.00 3.11 2.04 -0.76 -1.24 117.51 120.63 2pmc h ILE 72 Ca -0.01 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 2pmc h ILE 72 Cb 0.36 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2pmc h ILE 72 CO 0.01 0.05 -0.46 0.03 0.00 0.00 0.00 178.15 177.78 2pmc h ARG 73 N 0.25 0.00 -0.00 2.37 2.47 -0.86 -2.63 114.38 115.99 2pmc h ARG 73 Ca 0.55 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.27 2pmc h ARG 73 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 2pmc h ARG 73 CO -0.62 0.46 -0.28 0.00 0.56 0.00 0.00 179.97 180.09 2pmc n ALA 74 N -2.30 3.08 -2.61 0.04 0.00 -0.72 -4.61 120.51 113.40 2pmc n ALA 74 Ca 0.00 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 2pmc n ALA 74 Cb 0.58 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.76 6.52 0.34 0.00 -1.08 -0.55 -4.96 116.67 114.18 2pmc s ASP 75 Ca 0.19 0.50 0.12 0.00 -0.52 0.00 0.00 52.55 52.83 2pmc s ASP 75 Cb 0.19 -2.33 0.93 0.00 -1.46 0.00 0.00 42.92 40.24 2pmc s ASP 75 CO 0.58 -0.45 1.75 0.77 0.52 0.00 0.00 175.17 178.34 2pmc h SER 76 N 8.11 0.62 1.19 -0.34 4.64 -1.88 0.20 113.55 126.10 2pmc h SER 76 Ca -0.27 0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.05 2pmc h SER 76 Cb 1.12 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 2pmc h SER 76 CO 0.79 0.13 -0.85 0.00 -0.87 0.00 0.00 176.83 176.03 2pmc h ALA 77 N 1.68 0.67 -0.01 5.18 0.00 -1.93 -3.37 119.26 121.48 2pmc h ALA 77 Ca 0.62 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pmc h ALA 77 Cb 1.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2pmc h ALA 77 CO -0.40 0.65 -0.02 -1.33 0.00 0.00 0.00 179.25 178.15 2pmc n MET 78 N -3.05 0.53 -0.27 0.00 2.81 -0.30 -4.75 117.12 112.10 2pmc n MET 78 Ca -0.02 -1.05 0.15 0.00 -1.81 0.00 0.00 57.70 54.97 2pmc n MET 78 Cb 0.75 -1.18 0.42 0.00 -0.71 0.00 0.00 33.22 32.50 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 1.87 0.57 0.34 7.83 4.64 -0.42 -1.29 113.55 127.09 2pmc h SER 79 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2pmc h SER 79 Cb 0.41 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2pmc h SER 79 CO 0.00 0.25 -0.21 0.00 -0.87 0.00 0.00 176.83 176.00 2pmc n ALA 80 N -2.45 2.97 -1.73 5.18 0.00 -1.26 -4.58 120.51 118.64 2pmc n ALA 80 Ca 0.19 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 2pmc n ALA 80 Cb 0.58 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 2pmc n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pmc n LEU 81 N -0.89 4.16 -4.72 0.00 4.77 -0.49 -4.92 117.00 114.91 2pmc n LEU 81 Ca 0.12 1.10 -0.43 0.00 -0.03 0.00 0.00 56.01 56.77 2pmc n LEU 81 Cb 0.32 -1.58 -0.02 0.00 -2.33 0.00 0.00 43.42 39.80 2pmc n LEU 81 CO 0.26 0.17 1.21 -2.65 -1.33 0.00 0.00 177.39 175.04 2pmc n PRO 82 N 3.15 2.52 -3.68 3.23 -0.02 -1.26 -4.91 135.00 134.02 2pmc n PRO 82 Ca 0.13 0.90 -0.26 0.00 -2.02 0.00 0.00 63.50 62.24 2pmc n PRO 82 Cb 0.36 -2.66 -0.17 0.00 -0.02 0.00 0.00 33.50 31.01 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 0.23 0.23 -0.22 -1.45 1.01 -1.26 -0.32 120.40 118.62 2pmc s VAL 83 Ca 0.68 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.24 2pmc s VAL 83 Cb -0.55 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2pmc s VAL 83 CO 0.45 -0.18 0.29 -0.22 0.00 0.00 0.00 175.10 175.45 2pmc s LEU 84 N 2.00 4.13 -0.08 3.92 2.96 0.14 -1.84 118.68 129.90 2pmc s LEU 84 Ca 0.01 0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 54.09 2pmc s LEU 84 Cb -0.16 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.15 2pmc s LEU 84 CO -0.08 -0.02 0.41 -0.04 -1.32 0.00 0.00 176.35 175.30 2pmc s MET 85 N 1.24 4.15 -0.14 1.98 -1.94 -0.69 -0.61 119.30 123.30 2pmc s MET 85 Ca 0.14 0.36 -0.05 0.00 -1.71 0.00 0.00 55.69 54.43 2pmc s MET 85 Cb -0.14 -3.35 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 2pmc s MET 85 CO 0.07 0.38 0.02 0.08 -0.01 0.00 0.00 175.02 175.56 2pmc s VAL 86 N -0.08 4.47 0.04 -6.03 1.01 0.29 -1.13 120.40 118.97 2pmc s VAL 86 Ca 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 2pmc s VAL 86 Cb -0.15 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2pmc s VAL 86 CO 0.10 0.53 -0.03 0.28 0.00 0.00 0.00 175.10 175.98 2pmc s THR 87 N -0.15 0.19 -0.73 3.92 -1.32 0.45 -1.86 115.64 116.14 2pmc s THR 87 Ca 0.06 -1.51 0.26 0.00 -1.21 0.00 0.00 61.69 59.29 2pmc s THR 87 Cb -0.12 -1.09 0.26 0.00 -1.51 0.00 0.00 72.50 70.04 2pmc s THR 87 CO 0.02 -0.83 1.74 0.00 -2.21 0.00 0.00 174.62 173.34 2pmc n ALA 88 N 0.62 2.34 -3.51 11.08 0.00 -1.26 -0.00 120.51 129.77 2pmc n ALA 88 Ca -0.17 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.08 2pmc n ALA 88 Cb 0.59 -1.44 -0.15 0.00 0.00 0.00 0.00 19.45 18.45 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 -3.10 0.01 -0.60 0.00 2.12 -1.26 -4.72 118.70 111.15 2pmc s GLU 89 Ca 0.10 0.19 -0.07 0.00 0.36 0.00 0.00 54.97 55.55 2pmc s GLU 89 Cb 0.13 -0.16 -0.16 0.00 0.26 0.00 0.00 34.13 34.20 2pmc s GLU 89 CO 0.61 -0.12 3.29 0.00 -0.54 0.00 0.00 175.26 178.49 2pmc n ALA 90 N 3.86 6.77 -2.03 6.30 0.00 -1.26 -4.93 120.51 129.22 2pmc n ALA 90 Ca -0.23 -2.57 -0.42 0.00 0.00 0.00 0.00 53.44 50.22 2pmc n ALA 90 Cb 0.53 -2.64 -0.03 0.00 0.00 0.00 0.00 19.45 17.31 2pmc n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2pmc s LYS 91 N 0.97 4.20 0.24 0.00 1.02 -1.26 -4.92 119.74 119.99 2pmc s LYS 91 Ca 0.66 2.18 -0.12 0.00 0.02 0.00 0.00 55.97 58.71 2pmc s LYS 91 Cb 0.28 -3.81 0.32 0.00 -0.52 0.00 0.00 37.83 34.09 2pmc s LYS 91 CO -0.04 -0.77 1.44 1.63 -0.92 0.00 0.00 175.35 176.69 2pmc n LYS 92 N 6.43 -0.15 -0.26 1.68 5.02 -1.26 -1.07 118.16 128.55 2pmc n LYS 92 Ca 0.16 1.43 0.00 0.00 -2.02 0.00 0.00 58.31 57.89 2pmc n LYS 92 Cb 0.42 -2.14 0.13 0.00 -0.02 0.00 0.00 35.03 33.43 2pmc n LYS 92 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2pmc h GLU 93 N 0.00 0.72 0.80 1.97 5.08 -1.99 -1.59 114.58 119.57 2pmc h GLU 93 Ca 0.38 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 2pmc h GLU 93 Cb 0.61 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2pmc h GLU 93 CO -0.94 0.48 -0.48 -0.91 -1.00 0.00 0.00 179.01 176.16 2pmc h ASN 94 N 0.74 -1.19 -0.92 1.42 2.35 -1.49 0.30 115.58 116.79 2pmc h ASN 94 Ca 0.34 0.06 0.24 0.00 -0.55 0.00 0.00 56.30 56.40 2pmc h ASN 94 Cb 0.26 0.34 -0.13 0.00 0.05 0.00 0.00 38.32 38.84 2pmc h ASN 94 CO -0.21 -0.74 0.41 0.40 -1.65 0.00 0.00 177.43 175.63 2pmc h ILE 95 N -1.19 0.41 0.70 2.81 2.04 -0.98 0.58 117.51 121.88 2pmc h ILE 95 Ca -0.11 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 2pmc h ILE 95 Cb 0.95 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2pmc h ILE 95 CO 0.12 0.07 -0.34 0.40 0.00 0.00 0.00 178.15 178.40 2pmc h ILE 96 N 0.36 0.00 -0.91 -0.67 2.04 -1.12 -1.27 117.51 115.93 2pmc h ILE 96 Ca 0.60 -0.18 0.13 0.00 1.00 0.00 0.00 64.86 66.41 2pmc h ILE 96 Cb 1.20 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.13 2pmc h ILE 96 CO -0.57 0.00 -0.42 0.00 0.00 0.00 0.00 178.15 177.16 2pmc h ALA 97 N -1.38 -0.02 -0.50 1.87 0.00 0.26 0.44 119.26 119.92 2pmc h ALA 97 Ca -0.10 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2pmc h ALA 97 Cb 0.72 1.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 2pmc h ALA 97 CO 0.16 -0.70 0.16 0.00 0.00 0.00 0.00 179.25 178.86 2pmc h ALA 98 N 1.13 1.34 0.36 0.00 0.00 -0.03 -1.96 119.26 120.10 2pmc h ALA 98 Ca 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2pmc h ALA 98 Cb 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2pmc h ALA 98 CO -0.92 0.48 -0.17 0.00 0.00 0.00 0.00 179.25 178.63 2pmc h ALA 99 N 1.45 -0.49 -0.94 0.00 0.00 0.68 0.81 119.26 120.78 2pmc h ALA 99 Ca 0.17 -0.15 0.25 0.00 0.00 0.00 0.00 54.91 55.18 2pmc h ALA 99 Cb 0.21 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 18.05 2pmc h ALA 99 CO -0.01 -0.70 0.44 1.96 0.00 0.00 0.00 179.25 180.93 2pmc h GLN 100 N -0.62 0.37 -0.03 0.00 4.20 0.39 0.11 115.11 119.53 2pmc h GLN 100 Ca -0.05 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2pmc h GLN 100 Cb 0.45 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2pmc h GLN 100 CO 0.08 0.24 0.00 0.00 -0.67 0.00 0.00 178.83 178.48 2pmc n ALA 101 N -2.46 2.60 -0.99 3.87 0.00 -0.80 -4.89 120.51 117.84 2pmc n ALA 101 Ca 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2pmc n ALA 101 Cb 0.75 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 1.09 0.70 3.72 0.00 0.00 0.39 -4.62 105.19 106.48 2pmc n GLY 102 Ca 0.20 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2pmc n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pmc n ALA 103 N -0.39 2.56 0.05 4.61 0.00 0.26 -4.86 120.51 122.74 2pmc n ALA 103 Ca 0.00 0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.76 2pmc n ALA 103 Cb 0.15 -2.48 0.06 0.00 0.00 0.00 0.00 19.45 17.18 2pmc n ALA 103 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2pmc h SER 104 N 5.99 0.43 -5.04 0.00 0.02 -1.68 -3.44 113.55 109.83 2pmc h SER 104 Ca -0.45 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.23 2pmc h SER 104 Cb 1.22 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 2pmc h SER 104 CO 0.89 0.97 0.21 -0.83 -1.14 0.00 0.00 176.83 176.94 2pmc s GLY 105 N -4.28 0.31 -0.05 -3.77 0.00 -1.20 -4.86 107.32 93.46 2pmc s GLY 105 Ca -0.05 -0.67 -0.06 0.00 0.00 0.00 0.00 44.72 43.93 2pmc s GLY 105 CO 0.83 -0.30 0.17 -0.47 0.00 0.00 0.00 173.10 173.33 2pmc s TYR 106 N -2.92 -0.15 -0.13 1.90 6.14 -1.26 -1.70 117.35 119.23 2pmc s TYR 106 Ca 0.15 0.36 -0.15 0.00 0.64 0.00 0.00 57.07 58.08 2pmc s TYR 106 Cb -0.05 0.05 0.04 0.00 0.42 0.00 0.00 41.96 42.42 2pmc s TYR 106 CO 0.11 -0.13 0.40 0.54 0.64 0.00 0.00 175.55 177.11 2pmc s VAL 107 N -0.18 0.01 -0.13 3.14 0.11 -0.29 -4.93 120.40 118.13 2pmc s VAL 107 Ca -0.03 -0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 58.83 2pmc s VAL 107 Cb -0.02 -0.59 -0.05 0.00 -1.53 0.00 0.00 36.38 34.19 2pmc s VAL 107 CO 0.01 -0.04 0.25 -0.69 -3.33 0.00 0.00 175.10 171.30 2pmc s VAL 108 N -0.06 5.32 0.18 2.04 1.01 -1.26 -0.41 120.40 127.23 2pmc s VAL 108 Ca -0.02 0.47 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 2pmc s VAL 108 Cb -0.03 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 2pmc s VAL 108 CO 0.01 0.47 0.56 -1.59 0.00 0.00 0.00 175.10 174.55 2pmc s LYS 109 N -0.09 3.92 0.49 2.72 -2.85 1.00 -3.81 119.74 121.11 2pmc s LYS 109 Ca 0.16 0.42 -0.18 0.00 -1.00 0.00 0.00 55.97 55.37 2pmc s LYS 109 Cb -0.13 -2.81 -0.09 0.00 -2.06 0.00 0.00 37.83 32.74 2pmc s LYS 109 CO 0.04 0.41 0.98 -1.25 0.10 0.00 0.00 175.35 175.64 2pmc s PRO 110 N -2.29 3.98 0.02 1.78 0.04 -1.26 -4.59 135.00 132.67 2pmc s PRO 110 Ca 0.42 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.54 2pmc s PRO 110 Cb -0.13 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 2pmc s PRO 110 CO 0.20 -0.25 -0.05 -0.59 0.04 0.00 0.00 177.00 176.35 2pmc s PHE 111 N -2.40 0.41 0.61 0.56 -0.12 -1.25 -5.16 117.98 110.64 2pmc s PHE 111 Ca 0.61 -0.36 -0.04 0.00 -0.05 0.00 0.00 56.93 57.09 2pmc s PHE 111 Cb -0.11 -0.26 0.03 0.00 -0.63 0.00 0.00 43.02 42.06 2pmc s PHE 111 CO 0.24 -0.09 0.89 0.95 -0.05 0.00 0.00 175.22 177.16 2pmc s THR 112 N -0.98 2.89 0.20 -4.49 -4.23 -1.26 -4.93 115.64 102.84 2pmc s THR 112 Ca -0.08 -0.33 -0.09 0.00 -1.18 0.00 0.00 61.69 60.00 2pmc s THR 112 Cb -0.07 -3.16 0.13 0.00 1.34 0.00 0.00 72.50 70.74 2pmc s THR 112 CO -0.00 -0.15 1.77 0.00 -0.54 0.00 0.00 174.62 175.70 2pmc h ALA 113 N -0.22 0.94 -0.53 3.99 0.00 -1.99 -1.45 119.26 120.01 2pmc h ALA 113 Ca -0.44 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.39 2pmc h ALA 113 Cb 1.29 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 2pmc h ALA 113 CO 0.58 0.54 0.11 0.00 0.00 0.00 0.00 179.25 180.48 2pmc h ALA 114 N 1.15 0.60 -0.69 0.00 0.00 -1.99 -0.22 119.26 118.12 2pmc h ALA 114 Ca 0.25 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 2pmc h ALA 114 Cb 0.17 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2pmc h ALA 114 CO -0.02 -0.30 0.26 1.15 0.00 0.00 0.00 179.25 180.33 2pmc h THR 115 N 0.25 1.25 -0.49 0.00 2.02 -1.79 -2.88 112.91 111.27 2pmc h THR 115 Ca 0.27 -0.79 -0.07 0.00 0.77 0.00 0.00 66.41 66.59 2pmc h THR 115 Cb 0.37 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2pmc h THR 115 CO -0.35 0.31 0.04 0.25 0.37 0.00 0.00 175.52 176.15 2pmc h LEU 116 N 0.98 0.81 -0.81 2.58 5.85 -0.78 -2.91 115.31 121.03 2pmc h LEU 116 Ca 0.23 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.76 2pmc h LEU 116 Cb 0.23 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 2pmc h LEU 116 CO -0.02 0.89 0.45 -0.08 -0.34 0.00 0.00 178.44 179.35 2pmc h GLU 117 N 0.71 0.73 0.16 1.25 4.81 -0.86 -1.53 114.58 119.86 2pmc h GLU 117 Ca 0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2pmc h GLU 117 Cb 0.45 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2pmc h GLU 117 CO 0.02 0.49 -0.32 0.93 -0.73 0.00 0.00 179.01 179.39 2pmc h GLU 118 N 0.76 -0.50 -0.38 1.92 5.08 -1.39 -1.94 114.58 118.12 2pmc h GLU 118 Ca 0.39 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.85 2pmc h GLU 118 Cb 0.38 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 2pmc h GLU 118 CO -0.26 -0.34 0.03 0.87 -1.00 0.00 0.00 179.01 178.32 2pmc h LYS 119 N -0.52 0.14 0.40 2.33 1.79 -1.24 0.24 116.57 119.70 2pmc h LYS 119 Ca -0.02 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2pmc h LYS 119 Cb 0.49 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 2pmc h LYS 119 CO -0.12 0.09 -0.36 -0.07 -1.08 0.00 0.00 179.45 177.91 2pmc h LEU 120 N 0.14 -0.96 -0.32 2.94 3.38 -1.33 -1.18 115.31 117.98 2pmc h LEU 120 Ca 0.18 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.30 2pmc h LEU 120 Cb 0.24 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 2pmc h LEU 120 CO -0.28 -0.51 -0.13 0.78 0.09 0.00 0.00 178.44 178.39 2pmc h ASN 121 N -0.77 -0.45 -0.58 -0.43 4.21 -0.61 0.18 115.58 117.14 2pmc h ASN 121 Ca -0.03 0.12 0.06 0.00 1.21 0.00 0.00 56.30 57.65 2pmc h ASN 121 Cb 0.68 0.26 -0.09 0.00 -1.12 0.00 0.00 38.32 38.04 2pmc h ASN 121 CO -0.04 -0.16 -0.56 0.11 -1.29 0.00 0.00 177.43 175.49 2pmc h LYS 122 N -0.07 -0.26 -0.74 0.81 1.57 -0.40 -0.16 116.57 117.32 2pmc h LYS 122 Ca 0.16 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.12 2pmc h LYS 122 Cb 0.32 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.58 2pmc h LYS 122 CO -0.37 -0.18 0.20 0.82 -0.57 0.00 0.00 179.45 179.35 2pmc h ILE 123 N -0.27 0.54 -0.32 1.86 1.08 -0.10 -1.71 117.51 118.59 2pmc h ILE 123 Ca 0.10 -0.10 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 2pmc h ILE 123 Cb 0.53 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 2pmc h ILE 123 CO -0.69 0.05 -0.06 -0.26 -0.69 0.00 0.00 178.15 176.51 2pmc h PHE 124 N 0.30 0.54 0.00 1.37 0.04 0.97 -2.68 116.94 117.48 2pmc h PHE 124 Ca 0.42 -0.07 -0.20 0.00 2.80 0.00 0.00 57.97 60.92 2pmc h PHE 124 Cb 0.70 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 2pmc h PHE 124 CO -0.24 0.57 -1.01 0.93 -0.60 0.00 0.00 178.31 177.96 2pmc h GLU 125 N 0.48 0.00 -0.67 1.51 5.08 -0.26 0.41 114.58 121.14 2pmc h GLU 125 Ca 0.10 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2pmc h GLU 125 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2pmc h GLU 125 CO 0.02 0.80 0.10 -0.22 -1.00 0.00 0.00 179.01 178.72 2pmc h LYS 126 N 0.00 1.11 0.00 2.33 1.63 -1.19 -3.33 116.57 117.12 2pmc h LYS 126 Ca -0.05 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 2pmc h LYS 126 Cb 1.71 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 33.21 2pmc h LYS 126 CO 0.11 1.01 -1.44 1.28 -3.45 0.00 0.00 179.45 176.96 2pmc n LEU 127 N -4.21 0.36 -0.68 5.20 4.77 -1.02 -5.02 117.00 116.40 2pmc n LEU 127 Ca 0.04 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2pmc n LEU 127 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2pmc n LEU 127 CO 0.43 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2pmc n GLY 128 N 1.43 0.48 0.51 -0.72 0.00 0.23 -5.09 105.19 102.04 2pmc n GLY 128 Ca -0.01 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.74 2pmc n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35