#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fmi s ASP 3 N 0.00 6.73 0.55 0.00 -1.08 -1.26 -4.89 116.67 116.72 2fmi s ASP 3 Ca 0.00 2.55 0.27 0.00 -0.52 0.00 0.00 52.55 54.85 2fmi s ASP 3 Cb 0.00 -2.61 1.45 0.00 -1.46 0.00 0.00 42.92 40.30 2fmi s ASP 3 CO 0.00 -0.66 1.98 0.11 0.52 0.00 0.00 175.17 177.12 2fmi h LYS 4 N 5.52 0.00 -0.28 4.34 1.57 -2.00 -2.48 116.57 123.24 2fmi h LYS 4 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2fmi h LYS 4 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2fmi h LYS 4 CO 0.80 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 180.07 2fmi n GLU 5 N -4.17 2.08 -1.61 3.15 -0.58 -1.26 -4.21 120.64 114.04 2fmi n GLU 5 Ca 0.10 -1.64 -0.55 0.00 -0.42 0.00 0.00 57.16 54.65 2fmi n GLU 5 Cb 0.63 -1.44 -0.07 0.00 -0.57 0.00 0.00 31.44 29.99 2fmi n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2fmi n LEU 6 N 0.86 1.55 -4.62 -4.62 7.94 -0.94 -4.79 117.00 112.38 2fmi n LEU 6 Ca 0.17 1.12 -0.41 0.00 -1.11 0.00 0.00 56.01 55.78 2fmi n LEU 6 Cb 0.45 -1.12 -0.06 0.00 0.53 0.00 0.00 43.42 43.22 2fmi n LEU 6 CO 0.14 -1.02 0.38 -0.75 -1.11 0.00 0.00 177.39 175.03 2fmi s LYS 7 N 1.27 4.03 -0.03 1.96 2.20 -1.26 -4.47 119.74 123.45 2fmi s LYS 7 Ca 0.90 0.45 -0.03 0.00 -0.36 0.00 0.00 55.97 56.92 2fmi s LYS 7 Cb -1.06 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 31.54 2fmi s LYS 7 CO 0.55 -0.47 0.17 -0.06 -0.36 0.00 0.00 175.35 175.18 2fmi s PHE 8 N 2.53 3.54 -0.17 4.03 0.40 -0.27 -0.14 117.98 127.90 2fmi s PHE 8 Ca 0.26 0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 56.96 2fmi s PHE 8 Cb -0.15 -1.84 0.00 0.00 0.51 0.00 0.00 43.02 41.54 2fmi s PHE 8 CO 0.10 0.66 -0.14 -1.17 0.70 0.00 0.00 175.22 175.36 2fmi s LEU 9 N -1.80 2.50 -0.26 -0.37 2.96 0.20 -1.01 118.68 120.91 2fmi s LEU 9 Ca 0.25 -0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 2fmi s LEU 9 Cb -0.12 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 2fmi s LEU 9 CO 0.16 0.06 0.10 -0.69 -1.32 0.00 0.00 176.35 174.66 2fmi s VAL 10 N 0.99 4.61 -0.19 1.68 1.01 0.03 -1.22 120.40 127.30 2fmi s VAL 10 Ca -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 2fmi s VAL 10 Cb -0.15 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.08 2fmi s VAL 10 CO -0.03 0.32 -0.16 -0.69 0.00 0.00 0.00 175.10 174.54 2fmi s VAL 11 N 1.62 2.42 -0.25 2.92 1.01 0.23 -1.26 120.40 127.09 2fmi s VAL 11 Ca 0.06 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 60.96 2fmi s VAL 11 Cb -0.15 -2.04 0.12 0.00 0.00 0.00 0.00 36.38 34.30 2fmi s VAL 11 CO 0.06 0.51 0.98 -0.62 0.00 0.00 0.00 175.10 176.03 2fmi s ASP 12 N 1.28 -0.47 0.32 3.32 -1.08 -0.67 -1.25 116.67 118.11 2fmi s ASP 12 Ca 0.04 0.83 0.26 0.00 -0.52 0.00 0.00 52.55 53.16 2fmi s ASP 12 Cb -0.14 0.82 0.79 0.00 -1.46 0.00 0.00 42.92 42.93 2fmi s ASP 12 CO -0.09 -0.21 1.75 -2.24 0.52 0.00 0.00 175.17 174.89 2fmi h ASP 13 N 3.93 0.00 -3.58 -0.34 2.03 -1.78 -3.36 116.42 113.30 2fmi h ASP 13 Ca -0.26 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.38 2fmi h ASP 13 Cb 1.17 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.52 2fmi h ASP 13 CO 0.15 0.00 0.06 0.12 -1.03 0.00 0.00 179.24 178.54 2fmi s PHE 14 N -3.24 3.10 0.32 4.15 5.36 -1.26 -4.95 117.98 121.46 2fmi s PHE 14 Ca 0.07 -0.02 0.03 0.00 -0.96 0.00 0.00 56.93 56.05 2fmi s PHE 14 Cb 0.09 -3.21 0.61 0.00 -0.34 0.00 0.00 43.02 40.17 2fmi s PHE 14 CO 0.57 -0.78 1.90 0.66 -1.46 0.00 0.00 175.22 176.11 2fmi h SER 15 N 8.76 0.84 -0.40 6.13 4.64 -2.00 -2.52 113.55 128.99 2fmi h SER 15 Ca -0.26 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.01 2fmi h SER 15 Cb 1.10 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2fmi h SER 15 CO 0.86 0.51 0.01 0.74 -0.87 0.00 0.00 176.83 178.08 2fmi h THR 16 N 0.94 1.26 -0.91 2.95 2.02 -1.97 -1.63 112.91 115.56 2fmi h THR 16 Ca 0.40 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 2fmi h THR 16 Cb 0.32 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 2fmi h THR 16 CO -0.16 0.34 0.51 -0.03 0.37 0.00 0.00 175.52 176.54 2fmi h MET 17 N 0.53 1.27 -0.42 6.66 -1.53 -1.91 -0.71 114.93 118.81 2fmi h MET 17 Ca 0.11 -0.14 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 2fmi h MET 17 Cb 0.46 -0.25 -0.02 0.00 -0.55 0.00 0.00 31.60 31.24 2fmi h MET 17 CO 0.02 0.92 0.28 0.00 0.14 0.00 0.00 176.91 178.27 2fmi h ARG 18 N 1.27 0.56 -0.70 0.39 3.08 -1.11 -0.27 114.38 117.59 2fmi h ARG 18 Ca 0.32 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.35 2fmi h ARG 18 Cb 0.01 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 2fmi h ARG 18 CO -0.05 0.38 0.45 -0.09 -1.07 0.00 0.00 179.97 179.59 2fmi h ARG 19 N 0.57 0.89 -0.13 0.04 2.43 -1.12 -0.03 114.38 117.04 2fmi h ARG 19 Ca 0.16 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2fmi h ARG 19 Cb -0.06 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 2fmi h ARG 19 CO -0.03 0.59 0.06 0.82 -1.51 0.00 0.00 179.97 179.90 2fmi h ILE 20 N 0.91 1.00 -0.51 1.20 2.04 -0.56 -0.84 117.51 120.74 2fmi h ILE 20 Ca 0.27 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 66.05 2fmi h ILE 20 Cb -0.05 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2fmi h ILE 20 CO -0.08 0.03 0.21 0.58 0.00 0.00 0.00 178.15 178.88 2fmi h VAL 21 N 0.14 1.21 -0.90 1.67 2.07 -0.83 -0.44 116.25 119.18 2fmi h VAL 21 Ca 0.05 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 66.98 2fmi h VAL 21 Cb 0.01 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 2fmi h VAL 21 CO -0.03 0.25 0.56 -0.09 0.02 0.00 0.00 177.57 178.28 2fmi h ARG 22 N 0.69 0.99 -0.15 1.57 2.43 -0.87 0.05 114.38 119.09 2fmi h ARG 22 Ca 0.17 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.10 2fmi h ARG 22 Cb 0.19 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2fmi h ARG 22 CO -0.01 0.65 -0.65 -0.91 -1.51 0.00 0.00 179.97 177.54 2fmi h ASN 23 N 1.02 0.64 -0.60 -3.80 2.35 -0.74 -1.01 115.58 113.43 2fmi h ASN 23 Ca 0.39 -0.38 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 2fmi h ASN 23 Cb 0.18 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2fmi h ASN 23 CO -0.18 1.12 0.17 -0.07 -1.65 0.00 0.00 177.43 176.82 2fmi h LEU 24 N 0.40 0.90 -0.30 1.61 3.38 -0.45 -1.26 115.31 119.59 2fmi h LEU 24 Ca -0.02 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2fmi h LEU 24 Cb 1.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2fmi h LEU 24 CO 0.12 0.88 0.18 -0.07 0.09 0.00 0.00 178.44 179.65 2fmi h LEU 25 N 0.87 0.30 -0.61 1.67 3.38 -0.90 -2.18 115.31 117.84 2fmi h LEU 25 Ca 0.19 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.23 2fmi h LEU 25 Cb 0.32 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2fmi h LEU 25 CO -0.00 0.22 0.28 0.50 0.09 0.00 0.00 178.44 179.53 2fmi h LYS 26 N 0.37 0.50 -0.29 1.13 3.64 -0.98 -0.20 116.57 120.75 2fmi h LYS 26 Ca 0.11 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2fmi h LYS 26 Cb -0.02 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2fmi h LYS 26 CO -0.04 0.33 0.20 1.49 -2.27 0.00 0.00 179.45 179.15 2fmi h GLU 27 N 0.51 0.14 -0.01 1.90 4.81 -0.86 0.16 114.58 121.24 2fmi h GLU 27 Ca 0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2fmi h GLU 27 Cb 0.28 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2fmi h GLU 27 CO -0.24 0.09 -0.08 1.28 -0.73 0.00 0.00 179.01 179.34 2fmi n LEU 28 N -4.48 0.69 0.00 1.64 4.77 -0.47 -4.93 117.00 114.22 2fmi n LEU 28 Ca 0.03 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2fmi n LEU 28 Cb 0.26 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2fmi n LEU 28 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2fmi n GLY 29 N 1.21 0.74 3.39 -0.72 0.00 0.04 -5.04 105.19 104.81 2fmi n GLY 29 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 2fmi n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fmi s PHE 30 N -2.18 2.95 -0.25 1.61 0.08 -0.21 -4.82 117.98 115.16 2fmi s PHE 30 Ca 0.00 -0.91 0.22 0.00 0.12 0.00 0.00 56.93 56.36 2fmi s PHE 30 Cb 0.00 -4.06 -0.15 0.00 -0.57 0.00 0.00 43.02 38.24 2fmi s PHE 30 CO 0.00 -1.35 0.78 0.09 -0.10 0.00 0.00 175.22 174.64 2fmi n ASN 31 N 6.52 0.43 -4.46 1.36 3.02 -1.26 -2.73 115.26 118.15 2fmi n ASN 31 Ca -0.08 0.02 -0.44 0.00 -0.03 0.00 0.00 54.58 54.05 2fmi n ASN 31 Cb 0.43 1.23 -0.01 0.00 -0.61 0.00 0.00 39.78 40.82 2fmi n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2fmi s ASN 32 N -4.60 6.93 -0.03 6.41 2.47 -1.26 -4.94 114.94 119.92 2fmi s ASN 32 Ca -0.03 -2.70 0.02 0.00 0.42 0.00 0.00 52.86 50.58 2fmi s ASN 32 Cb 0.13 -2.40 0.01 0.00 -1.45 0.00 0.00 41.25 37.53 2fmi s ASN 32 CO 0.85 -0.85 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.62 2fmi s VAL 33 N 1.97 0.68 0.35 -5.21 1.01 -1.26 -1.11 120.40 116.83 2fmi s VAL 33 Ca 0.40 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.20 2fmi s VAL 33 Cb -0.03 -0.64 -0.07 0.00 0.00 0.00 0.00 36.38 35.64 2fmi s VAL 33 CO -0.03 0.24 -0.05 -1.61 0.00 0.00 0.00 175.10 173.65 2fmi s GLU 34 N 0.49 1.80 0.12 2.72 0.41 -0.18 -4.96 118.70 119.09 2fmi s GLU 34 Ca -0.07 -1.95 0.09 0.00 -0.41 0.00 0.00 54.97 52.62 2fmi s GLU 34 Cb -0.11 -1.53 -0.04 0.00 -1.78 0.00 0.00 34.13 30.67 2fmi s GLU 34 CO 0.01 0.05 -0.21 -1.21 -0.49 0.00 0.00 175.26 173.41 2fmi s GLU 35 N -3.67 1.20 0.01 1.61 2.02 -1.26 -0.79 118.70 117.81 2fmi s GLU 35 Ca 0.33 -1.24 -0.03 0.00 0.02 0.00 0.00 54.97 54.05 2fmi s GLU 35 Cb 0.05 -1.45 -0.01 0.00 0.10 0.00 0.00 34.13 32.82 2fmi s GLU 35 CO 0.16 0.33 0.04 0.00 0.02 0.00 0.00 175.26 175.81 2fmi s ALA 36 N -1.34 -0.06 -0.91 5.21 0.00 -0.39 -4.90 121.76 119.37 2fmi s ALA 36 Ca 0.10 -0.33 0.21 0.00 0.00 0.00 0.00 51.96 51.94 2fmi s ALA 36 Cb -0.09 0.10 -0.21 0.00 0.00 0.00 0.00 23.12 22.91 2fmi s ALA 36 CO 0.05 -0.15 0.88 -0.85 0.00 0.00 0.00 175.76 175.69 2fmi n GLU 37 N 1.78 0.06 -2.40 0.00 0.28 -1.26 -1.67 120.64 117.44 2fmi n GLU 37 Ca -0.22 -0.02 -0.02 0.00 -0.16 0.00 0.00 57.16 56.75 2fmi n GLU 37 Cb 0.56 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.94 2fmi n GLU 37 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2fmi n ASP 38 N -1.57 -0.81 -0.19 -1.84 5.68 -1.26 -2.75 116.55 113.80 2fmi n ASP 38 Ca 0.03 -1.47 -0.07 0.00 -0.50 0.00 0.00 54.79 52.79 2fmi n ASP 38 Cb 0.35 1.33 0.08 0.00 -1.14 0.00 0.00 41.12 41.75 2fmi n ASP 38 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2fmi h GLY 39 N 0.85 1.08 0.76 6.12 0.00 -1.49 0.29 103.07 110.67 2fmi h GLY 39 Ca -0.12 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 2fmi h GLY 39 CO 0.16 0.67 -0.08 -2.08 0.00 0.00 0.00 176.54 175.21 2fmi h VAL 40 N 0.93 0.93 -0.98 4.60 2.07 -1.88 -0.20 116.25 121.73 2fmi h VAL 40 Ca 0.18 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.23 2fmi h VAL 40 Cb 0.46 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 2fmi h VAL 40 CO 0.02 0.12 0.64 -0.78 0.02 0.00 0.00 177.57 177.58 2fmi h ASP 41 N -0.48 1.05 -0.22 0.57 3.58 -1.93 -1.84 116.42 117.16 2fmi h ASP 41 Ca -0.02 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.44 2fmi h ASP 41 Cb 0.37 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 2fmi h ASP 41 CO 0.04 0.71 0.10 0.00 -2.88 0.00 0.00 179.24 177.21 2fmi h ALA 42 N 1.41 0.26 -0.62 -0.78 0.00 -0.16 -1.95 119.26 117.41 2fmi h ALA 42 Ca 0.40 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 2fmi h ALA 42 Cb 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2fmi h ALA 42 CO -0.13 -0.31 0.29 -0.07 0.00 0.00 0.00 179.25 179.02 2fmi h LEU 43 N 0.22 0.79 -0.33 0.00 3.38 -0.67 0.15 115.31 118.85 2fmi h LEU 43 Ca 0.09 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2fmi h LEU 43 Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2fmi h LEU 43 CO -0.07 0.68 0.20 0.78 0.09 0.00 0.00 178.44 180.12 2fmi h ASN 44 N 0.87 0.39 0.23 -0.43 2.35 -1.17 -2.93 115.58 114.88 2fmi h ASN 44 Ca 0.21 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 2fmi h ASN 44 Cb 0.11 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2fmi h ASN 44 CO -0.03 0.32 -0.44 0.11 -1.65 0.00 0.00 177.43 175.74 2fmi h LYS 45 N 0.43 0.27 0.00 0.81 1.57 -0.86 -2.87 116.57 115.92 2fmi h LYS 45 Ca 0.12 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2fmi h LYS 45 Cb -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2fmi h LYS 45 CO -0.02 0.66 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.43 2fmi h LEU 46 N 0.22 0.00 -2.21 2.94 3.38 -0.57 -2.27 115.31 116.80 2fmi h LEU 46 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2fmi h LEU 46 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2fmi h LEU 46 CO 0.07 0.01 -0.05 1.56 0.09 0.00 0.00 178.44 180.12 2fmi h GLN 47 N 0.00 0.00 0.00 1.13 4.20 -1.33 -1.66 115.11 117.45 2fmi h GLN 47 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2fmi h GLN 47 Cb 0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 2fmi h GLN 47 CO 0.00 0.05 -0.01 0.00 -0.67 0.00 0.00 178.83 178.20 2fmi h ALA 48 N 1.95 1.06 -0.29 3.87 0.00 -1.57 -3.48 119.26 120.79 2fmi h ALA 48 Ca -0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2fmi h ALA 48 Cb 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2fmi h ALA 48 CO 0.01 0.01 -0.08 0.41 0.00 0.00 0.00 179.25 179.60 2fmi n GLY 49 N -0.85 -2.03 1.59 0.00 0.00 -0.63 -4.96 105.19 98.31 2fmi n GLY 49 Ca -0.02 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2fmi n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fmi n GLY 50 N -2.63 2.35 3.76 -0.02 0.00 -1.26 -5.03 105.19 102.36 2fmi n GLY 50 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2fmi n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fmi s PHE 51 N -2.27 3.03 0.00 1.61 0.40 -1.26 -4.50 117.98 114.99 2fmi s PHE 51 Ca 0.00 1.21 0.00 0.00 -0.60 0.00 0.00 56.93 57.54 2fmi s PHE 51 Cb 0.00 -3.75 0.00 0.00 0.51 0.00 0.00 43.02 39.78 2fmi s PHE 51 CO 0.00 -2.29 0.12 0.41 0.70 0.00 0.00 175.22 174.17 2fmi n GLY 52 N 1.56 0.38 3.63 4.36 0.00 0.80 -4.95 105.19 110.98 2fmi n GLY 52 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2fmi n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2fmi s PHE 53 N -0.65 -0.68 -0.06 1.61 2.19 -0.94 -4.31 117.98 115.14 2fmi s PHE 53 Ca 0.00 1.61 0.05 0.00 0.33 0.00 0.00 56.93 58.92 2fmi s PHE 53 Cb 0.00 0.33 -0.01 0.00 -1.31 0.00 0.00 43.02 42.04 2fmi s PHE 53 CO 0.00 -0.33 -0.22 0.42 1.83 0.00 0.00 175.22 176.92 2fmi s ILE 54 N 0.45 1.87 -0.19 3.12 -1.09 -0.39 -0.63 121.20 124.34 2fmi s ILE 54 Ca 0.00 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.48 2fmi s ILE 54 Cb -0.05 -1.60 0.03 0.00 -1.58 0.00 0.00 42.46 39.26 2fmi s ILE 54 CO -0.04 0.52 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.40 2fmi s ILE 55 N 0.04 1.97 -0.04 2.92 1.01 -0.36 -0.23 121.20 126.51 2fmi s ILE 55 Ca -0.08 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.58 2fmi s ILE 55 Cb -0.14 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.46 2fmi s ILE 55 CO 0.05 0.39 -0.14 -0.55 0.00 0.00 0.00 174.94 174.69 2fmi s SER 56 N 1.29 1.79 0.63 3.58 0.15 0.26 -0.60 113.70 120.80 2fmi s SER 56 Ca 0.02 -0.29 -0.17 0.00 0.70 0.00 0.00 55.95 56.21 2fmi s SER 56 Cb -0.14 -0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 63.60 2fmi s SER 56 CO -0.11 0.10 1.20 -0.62 1.20 0.00 0.00 173.24 175.01 2fmi s ASP 57 N 0.19 4.94 0.01 5.45 2.15 -0.38 -0.12 116.67 128.91 2fmi s ASP 57 Ca -0.05 2.33 -0.25 0.00 0.43 0.00 0.00 52.55 55.01 2fmi s ASP 57 Cb -0.11 -2.59 -0.19 0.00 -0.30 0.00 0.00 42.92 39.73 2fmi s ASP 57 CO 0.02 -1.76 1.39 -0.25 -0.17 0.00 0.00 175.17 174.40 2fmi h TRP 58 N 0.50 -0.03 -3.63 -5.34 2.91 -1.33 -3.22 115.95 105.82 2fmi h TRP 58 Ca -0.49 -0.00 -0.70 0.00 1.13 0.00 0.00 58.89 58.83 2fmi h TRP 58 Cb 1.29 0.01 -0.26 0.00 -0.51 0.00 0.00 29.16 29.69 2fmi h TRP 58 CO 0.48 0.32 -0.56 -0.80 -1.03 0.00 0.00 178.44 176.85 2fmi s ASN 59 N -5.52 5.51 0.03 2.65 0.01 -1.26 -0.27 114.94 116.09 2fmi s ASN 59 Ca -0.15 -1.02 -0.04 0.00 -0.71 0.00 0.00 52.86 50.93 2fmi s ASN 59 Cb 0.03 -1.95 -0.01 0.00 0.41 0.00 0.00 41.25 39.73 2fmi s ASN 59 CO 0.66 -0.34 0.06 -0.04 -1.51 0.00 0.00 177.10 175.94 2fmi s MET 60 N 1.49 0.53 0.73 -0.60 -1.94 -1.26 -4.75 119.30 113.50 2fmi s MET 60 Ca 0.01 -0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 53.12 2fmi s MET 60 Cb -0.19 0.21 0.03 0.00 2.01 0.00 0.00 34.83 36.89 2fmi s MET 60 CO 0.05 -0.12 1.09 -1.25 -0.01 0.00 0.00 175.02 174.77 2fmi s PRO 61 N -2.45 2.61 0.00 2.03 0.04 -1.26 -3.48 135.00 132.50 2fmi s PRO 61 Ca -0.06 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.55 2fmi s PRO 61 Cb -0.02 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2fmi s PRO 61 CO -0.04 -1.23 0.00 0.09 0.04 0.00 0.00 177.00 175.86 2fmi n ASN 62 N -3.16 0.00 -3.65 6.66 3.02 -1.26 -4.49 115.26 112.38 2fmi n ASN 62 Ca 0.07 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.58 2fmi n ASN 62 Cb 0.56 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.68 2fmi n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2fmi s MET 63 N 0.00 0.52 0.42 3.52 1.75 -1.26 -4.81 119.30 119.43 2fmi s MET 63 Ca 0.00 1.32 -0.06 0.00 -1.25 0.00 0.00 55.69 55.70 2fmi s MET 63 Cb 0.00 0.67 0.09 0.00 2.84 0.00 0.00 34.83 38.43 2fmi s MET 63 CO 0.00 -0.21 0.57 -0.40 -0.65 0.00 0.00 175.02 174.33 2fmi n ASP 64 N 5.33 0.17 -0.06 1.11 5.68 -1.23 -1.50 116.55 126.06 2fmi n ASP 64 Ca -0.12 -1.28 -0.13 0.00 -0.50 0.00 0.00 54.79 52.76 2fmi n ASP 64 Cb 0.50 -0.42 -0.07 0.00 -1.14 0.00 0.00 41.12 39.99 2fmi n ASP 64 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2fmi h GLY 65 N -0.68 0.41 1.02 6.12 0.00 -0.65 -1.77 103.07 107.52 2fmi h GLY 65 Ca -0.18 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 2fmi h GLY 65 CO 0.14 0.38 0.53 -2.00 0.00 0.00 0.00 176.54 175.60 2fmi h LEU 66 N 0.00 1.09 -0.72 3.11 5.85 -1.84 -0.02 115.31 122.79 2fmi h LEU 66 Ca 0.02 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2fmi h LEU 66 Cb 0.70 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2fmi h LEU 66 CO 0.04 0.84 0.06 -0.33 -0.34 0.00 0.00 178.44 178.71 2fmi h GLU 67 N 1.24 1.05 -0.10 1.25 5.08 -1.90 -1.31 114.58 119.89 2fmi h GLU 67 Ca 0.32 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2fmi h GLU 67 Cb -0.04 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 2fmi h GLU 67 CO -0.06 0.99 -0.02 1.25 -1.00 0.00 0.00 179.01 180.16 2fmi h LEU 68 N 0.97 0.19 -0.08 1.33 5.85 -1.05 -1.68 115.31 120.84 2fmi h LEU 68 Ca 0.19 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.58 2fmi h LEU 68 Cb 0.48 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 2fmi h LEU 68 CO 0.02 0.51 -0.28 0.25 -0.34 0.00 0.00 178.44 178.60 2fmi h LEU 69 N -0.13 -0.85 -0.89 2.25 5.85 -0.84 -0.73 115.31 119.97 2fmi h LEU 69 Ca 0.03 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.92 2fmi h LEU 69 Cb 0.42 0.36 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 2fmi h LEU 69 CO 0.01 -0.33 0.57 0.11 -0.34 0.00 0.00 178.44 178.45 2fmi h LYS 70 N -0.38 1.04 -0.22 1.25 1.57 -1.27 0.02 116.57 118.57 2fmi h LYS 70 Ca 0.08 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2fmi h LYS 70 Cb 0.50 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2fmi h LYS 70 CO -0.29 0.69 0.14 1.15 -0.57 0.00 0.00 179.45 180.56 2fmi h THR 71 N 1.07 1.09 0.06 -0.16 2.02 -0.78 -1.10 112.91 115.11 2fmi h THR 71 Ca 0.37 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 2fmi h THR 71 Cb 0.09 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2fmi h THR 71 CO -0.15 0.08 -0.03 0.40 0.37 0.00 0.00 175.52 176.20 2fmi h ILE 72 N 0.28 0.95 -0.36 3.11 2.04 -0.93 -1.67 117.51 120.93 2fmi h ILE 72 Ca 0.08 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.94 2fmi h ILE 72 Cb 0.02 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2fmi h ILE 72 CO -0.02 0.01 0.24 0.03 0.00 0.00 0.00 178.15 178.42 2fmi h ARG 73 N -0.11 0.29 -0.01 2.37 2.47 -0.85 -2.07 114.38 116.47 2fmi h ARG 73 Ca -0.01 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2fmi h ARG 73 Cb 0.08 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2fmi h ARG 73 CO 0.01 0.19 -0.22 0.00 0.56 0.00 0.00 179.97 180.52 2fmi n ALA 74 N -2.52 2.99 -1.78 0.04 0.00 -0.43 -4.53 120.51 114.29 2fmi n ALA 74 Ca 0.04 -0.51 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 2fmi n ALA 74 Cb 0.21 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 2fmi n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2fmi s ASP 75 N -2.31 7.46 0.29 0.00 -1.08 -0.64 -4.96 116.67 115.43 2fmi s ASP 75 Ca 0.27 2.09 -0.02 0.00 -0.52 0.00 0.00 52.55 54.37 2fmi s ASP 75 Cb 0.19 -2.62 0.42 0.00 -1.46 0.00 0.00 42.92 39.46 2fmi s ASP 75 CO 0.46 0.01 1.92 0.77 0.52 0.00 0.00 175.17 178.85 2fmi h SER 76 N 4.07 0.90 0.16 -0.34 4.64 -1.91 -2.69 113.55 118.39 2fmi h SER 76 Ca -0.46 -0.07 -0.35 0.00 -0.47 0.00 0.00 61.79 60.45 2fmi h SER 76 Cb 1.21 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 63.01 2fmi h SER 76 CO 0.68 0.72 -2.15 0.00 -0.87 0.00 0.00 176.83 175.21 2fmi n ALA 77 N -2.43 1.38 0.44 5.18 0.00 -1.26 -4.56 120.51 119.26 2fmi n ALA 77 Ca 0.08 -1.01 0.12 0.00 0.00 0.00 0.00 53.44 52.63 2fmi n ALA 77 Cb 0.09 -0.44 0.20 0.00 0.00 0.00 0.00 19.45 19.30 2fmi n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2fmi n MET 78 N -3.06 2.49 0.00 0.00 2.81 -1.23 -4.72 117.12 113.42 2fmi n MET 78 Ca -0.31 -2.24 0.22 0.00 -1.81 0.00 0.00 57.70 53.56 2fmi n MET 78 Cb 1.08 -1.51 0.72 0.00 -0.71 0.00 0.00 33.22 32.80 2fmi n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2fmi h SER 79 N 4.56 0.00 -0.03 7.83 4.64 -1.31 -1.66 113.55 127.58 2fmi h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2fmi h SER 79 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2fmi h SER 79 CO 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.90 2fmi n ALA 80 N -2.55 2.61 -1.66 5.18 0.00 -1.26 -4.49 120.51 118.34 2fmi n ALA 80 Ca 0.10 -0.67 -0.47 0.00 0.00 0.00 0.00 53.44 52.40 2fmi n ALA 80 Cb 0.67 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 2fmi n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2fmi n LEU 81 N 1.08 2.94 -4.75 0.00 4.77 -0.63 -4.93 117.00 115.48 2fmi n LEU 81 Ca 0.12 1.08 -0.41 0.00 -0.03 0.00 0.00 56.01 56.77 2fmi n LEU 81 Cb 0.55 -1.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.23 2fmi n LEU 81 CO 0.16 -0.36 1.18 -2.84 -1.33 0.00 0.00 177.39 174.20 2fmi s PRO 82 N 1.25 4.17 -0.15 3.23 0.02 -1.26 -4.93 135.00 137.34 2fmi s PRO 82 Ca 0.81 2.49 -0.03 0.00 0.02 0.00 0.00 61.00 64.30 2fmi s PRO 82 Cb -0.72 -3.04 0.05 0.00 0.02 0.00 0.00 34.50 30.81 2fmi s PRO 82 CO 0.41 -0.55 0.03 0.08 -0.33 0.00 0.00 177.00 176.64 2fmi s VAL 83 N -0.18 0.39 -0.26 3.83 1.01 -1.26 -1.26 120.40 122.66 2fmi s VAL 83 Ca 0.60 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 62.19 2fmi s VAL 83 Cb -0.46 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2fmi s VAL 83 CO 0.49 -0.05 0.33 -0.22 0.00 0.00 0.00 175.10 175.64 2fmi s LEU 84 N 1.94 4.05 -0.05 3.92 2.96 0.68 -1.06 118.68 131.12 2fmi s LEU 84 Ca 0.02 0.24 -0.17 0.00 -0.22 0.00 0.00 54.13 54.00 2fmi s LEU 84 Cb -0.15 -2.36 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 2fmi s LEU 84 CO -0.07 -0.13 0.46 -0.04 -1.32 0.00 0.00 176.35 175.24 2fmi s MET 85 N 1.88 4.15 -0.11 1.98 -1.94 -0.48 -0.58 119.30 124.21 2fmi s MET 85 Ca 0.13 0.46 -0.00 0.00 -1.71 0.00 0.00 55.69 54.57 2fmi s MET 85 Cb -0.16 -3.32 -0.02 0.00 2.01 0.00 0.00 34.83 33.34 2fmi s MET 85 CO 0.10 0.44 -0.10 0.08 -0.01 0.00 0.00 175.02 175.53 2fmi s VAL 86 N -0.29 3.39 0.13 -6.03 1.01 0.84 -0.62 120.40 118.82 2fmi s VAL 86 Ca 0.25 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.73 2fmi s VAL 86 Cb -0.16 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2fmi s VAL 86 CO 0.12 0.54 -0.13 0.28 0.00 0.00 0.00 175.10 175.92 2fmi s THR 87 N -0.02 1.28 -0.26 3.92 -1.32 0.08 -0.80 115.64 118.50 2fmi s THR 87 Ca -0.02 -1.83 0.23 0.00 -1.21 0.00 0.00 61.69 58.86 2fmi s THR 87 Cb -0.14 -1.63 0.29 0.00 -1.51 0.00 0.00 72.50 69.52 2fmi s THR 87 CO 0.03 -0.53 1.66 0.00 -2.21 0.00 0.00 174.62 173.57 2fmi h ALA 88 N 3.27 0.94 -2.20 11.08 0.00 -1.87 0.16 119.26 130.64 2fmi h ALA 88 Ca -0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2fmi h ALA 88 Cb 1.20 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.74 2fmi h ALA 88 CO 0.55 0.13 -0.08 -2.00 0.00 0.00 0.00 179.25 177.85 2fmi s GLU 89 N -3.27 0.61 -0.32 0.00 2.12 -1.26 -4.72 118.70 111.86 2fmi s GLU 89 Ca 0.05 1.09 -0.29 0.00 0.36 0.00 0.00 54.97 56.19 2fmi s GLU 89 Cb 0.06 0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.54 2fmi s GLU 89 CO 0.66 -0.15 1.54 0.00 -0.54 0.00 0.00 175.26 176.77 2fmi s ALA 90 N 1.55 3.12 -0.02 6.30 0.00 -1.26 -4.99 121.76 126.46 2fmi s ALA 90 Ca -0.10 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.07 2fmi s ALA 90 Cb -0.06 -3.91 -0.01 0.00 0.00 0.00 0.00 23.12 19.15 2fmi s ALA 90 CO -0.18 -2.22 -0.17 0.15 0.00 0.00 0.00 175.76 173.35 2fmi s LYS 91 N 4.90 1.50 0.25 0.00 1.02 -1.26 -5.06 119.74 121.09 2fmi s LYS 91 Ca 0.68 -0.59 -0.07 0.00 0.02 0.00 0.00 55.97 56.00 2fmi s LYS 91 Cb -0.19 -1.39 0.43 0.00 -0.52 0.00 0.00 37.83 36.15 2fmi s LYS 91 CO 0.30 0.31 1.63 -0.22 -0.92 0.00 0.00 175.35 176.45 2fmi h LYS 92 N 5.94 0.08 -0.57 1.68 3.64 -1.99 -0.70 116.57 124.64 2fmi h LYS 92 Ca -0.35 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.98 2fmi h LYS 92 Cb 1.16 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2fmi h LYS 92 CO 0.48 0.05 0.17 1.49 -2.27 0.00 0.00 179.45 179.37 2fmi h GLU 93 N 0.08 0.89 -0.19 1.90 4.81 -1.99 -0.90 114.58 119.18 2fmi h GLU 93 Ca 0.41 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 59.28 2fmi h GLU 93 Cb 0.71 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2fmi h GLU 93 CO -0.69 0.81 -0.54 -2.95 -0.73 0.00 0.00 179.01 174.91 2fmi h ASN 94 N 0.80 0.64 -0.26 1.04 7.08 -1.79 -0.98 115.58 122.10 2fmi h ASN 94 Ca 0.18 -0.34 0.00 0.00 -3.08 0.00 0.00 56.30 53.07 2fmi h ASN 94 Cb 0.30 -0.18 -0.01 0.00 -2.08 0.00 0.00 38.32 36.35 2fmi h ASN 94 CO -0.00 1.06 0.17 0.40 -2.08 0.00 0.00 177.43 176.97 2fmi h ILE 95 N 0.44 1.07 -0.15 6.14 2.04 -0.92 -1.28 117.51 124.85 2fmi h ILE 95 Ca 0.01 -0.14 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 2fmi h ILE 95 Cb 1.09 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 2fmi h ILE 95 CO 0.10 0.07 -0.33 0.40 0.00 0.00 0.00 178.15 178.39 2fmi h ILE 96 N 0.35 1.28 -0.55 -0.67 2.04 -1.15 0.52 117.51 119.34 2fmi h ILE 96 Ca 0.10 -1.36 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 2fmi h ILE 96 Cb -0.03 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2fmi h ILE 96 CO -0.02 0.41 0.09 0.00 0.00 0.00 0.00 178.15 178.63 2fmi h ALA 97 N 1.39 0.72 -0.21 1.87 0.00 -0.91 -0.09 119.26 122.02 2fmi h ALA 97 Ca 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2fmi h ALA 97 Cb 0.72 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2fmi h ALA 97 CO 0.05 0.47 0.11 0.00 0.00 0.00 0.00 179.25 179.88 2fmi h ALA 98 N 0.99 0.28 -0.06 0.00 0.00 -0.98 -2.36 119.26 117.13 2fmi h ALA 98 Ca 0.17 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2fmi h ALA 98 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2fmi h ALA 98 CO 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.06 2fmi h ALA 99 N 0.99 0.03 -0.73 0.00 0.00 -0.75 -0.88 119.26 117.91 2fmi h ALA 99 Ca 0.07 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2fmi h ALA 99 Cb 0.09 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2fmi h ALA 99 CO -0.01 -0.50 0.48 1.96 0.00 0.00 0.00 179.25 181.18 2fmi h GLN 100 N -0.02 0.67 -0.00 0.00 4.20 -0.98 -2.26 115.11 116.73 2fmi h GLN 100 Ca 0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2fmi h GLN 100 Cb 0.06 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2fmi h GLN 100 CO -0.07 0.45 -0.37 0.00 -0.67 0.00 0.00 178.83 178.16 2fmi n ALA 101 N -2.46 3.28 -0.85 3.87 0.00 -0.89 -4.96 120.51 118.50 2fmi n ALA 101 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2fmi n ALA 101 Cb 0.29 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2fmi n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fmi n GLY 102 N 1.45 1.26 3.64 0.00 0.00 -0.84 -4.61 105.19 106.09 2fmi n GLY 102 Ca 0.08 -0.39 -0.46 0.00 0.00 0.00 0.00 46.02 45.24 2fmi n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fmi n ALA 103 N -0.98 0.55 0.10 4.61 0.00 -0.40 -4.87 120.51 119.51 2fmi n ALA 103 Ca 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 53.44 53.82 2fmi n ALA 103 Cb 0.21 -2.21 0.06 0.00 0.00 0.00 0.00 19.45 17.51 2fmi n ALA 103 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2fmi h SER 104 N 4.17 0.15 -5.20 0.00 0.02 -1.44 -3.46 113.55 107.78 2fmi h SER 104 Ca -0.45 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.36 2fmi h SER 104 Cb 1.29 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 63.71 2fmi h SER 104 CO 0.76 0.85 -0.05 -0.83 -1.14 0.00 0.00 176.83 176.42 2fmi s GLY 105 N -4.48 0.44 -0.13 -3.77 0.00 -1.08 -4.78 107.32 93.52 2fmi s GLY 105 Ca -0.02 -0.79 -0.06 0.00 0.00 0.00 0.00 44.72 43.86 2fmi s GLY 105 CO 0.80 -0.53 0.29 -0.47 0.00 0.00 0.00 173.10 173.19 2fmi s TYR 106 N -3.94 -0.43 -0.05 1.90 5.04 -1.26 -1.38 117.35 117.24 2fmi s TYR 106 Ca 0.20 0.97 -0.06 0.00 -2.44 0.00 0.00 57.07 55.74 2fmi s TYR 106 Cb -0.02 0.07 0.01 0.00 0.35 0.00 0.00 41.96 42.38 2fmi s TYR 106 CO 0.09 -0.30 0.16 0.54 -1.34 0.00 0.00 175.55 174.70 2fmi s VAL 107 N 1.73 0.02 -0.21 3.14 0.11 0.21 -4.96 120.40 120.45 2fmi s VAL 107 Ca -0.06 -0.15 -0.18 0.00 -2.93 0.00 0.00 61.98 58.66 2fmi s VAL 107 Cb -0.11 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2fmi s VAL 107 CO -0.09 -0.08 0.51 -0.69 -3.33 0.00 0.00 175.10 171.41 2fmi s VAL 108 N -0.24 5.10 0.32 2.04 1.01 -1.26 -0.74 120.40 126.63 2fmi s VAL 108 Ca -0.03 0.93 -0.16 0.00 0.00 0.00 0.00 61.98 62.72 2fmi s VAL 108 Cb -0.03 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 2fmi s VAL 108 CO 0.01 0.17 0.76 -1.59 0.00 0.00 0.00 175.10 174.44 2fmi s LYS 109 N 1.73 4.06 0.49 2.72 -2.85 0.55 -3.97 119.74 122.46 2fmi s LYS 109 Ca 0.23 0.74 -0.20 0.00 -1.00 0.00 0.00 55.97 55.75 2fmi s LYS 109 Cb -0.15 -2.46 -0.09 0.00 -2.06 0.00 0.00 37.83 33.07 2fmi s LYS 109 CO 0.09 0.16 1.01 -1.25 0.10 0.00 0.00 175.35 175.47 2fmi s PRO 110 N -2.88 3.87 0.08 1.78 0.04 -1.26 -4.68 135.00 131.94 2fmi s PRO 110 Ca 0.54 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.85 2fmi s PRO 110 Cb -0.11 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2fmi s PRO 110 CO 0.17 -0.36 -0.08 -0.59 0.04 0.00 0.00 177.00 176.18 2fmi s PHE 111 N -2.14 0.87 0.69 0.56 -0.12 -1.25 -5.16 117.98 111.43 2fmi s PHE 111 Ca 0.65 -0.67 -0.07 0.00 -0.05 0.00 0.00 56.93 56.78 2fmi s PHE 111 Cb -0.14 -0.50 0.05 0.00 -0.63 0.00 0.00 43.02 41.80 2fmi s PHE 111 CO 0.21 -0.07 1.01 0.95 -0.05 0.00 0.00 175.22 177.27 2fmi s THR 112 N -2.39 2.54 0.26 -4.49 -4.23 -1.26 -4.92 115.64 101.15 2fmi s THR 112 Ca 0.02 -0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 60.31 2fmi s THR 112 Cb -0.03 -3.10 0.26 0.00 1.34 0.00 0.00 72.50 70.97 2fmi s THR 112 CO -0.01 -0.11 1.90 0.00 -0.54 0.00 0.00 174.62 175.86 2fmi h ALA 113 N -0.56 1.32 -0.61 3.99 0.00 -1.99 -1.23 119.26 120.18 2fmi h ALA 113 Ca -0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2fmi h ALA 113 Cb 1.30 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2fmi h ALA 113 CO 0.61 0.51 0.21 0.00 0.00 0.00 0.00 179.25 180.58 2fmi h ALA 114 N 1.41 0.79 -0.21 0.00 0.00 -1.97 -0.05 119.26 119.24 2fmi h ALA 114 Ca 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2fmi h ALA 114 Cb 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2fmi h ALA 114 CO -0.13 0.44 0.08 1.15 0.00 0.00 0.00 179.25 180.78 2fmi h THR 115 N 0.86 1.18 -0.48 0.00 2.02 -1.90 -1.59 112.91 113.00 2fmi h THR 115 Ca 0.20 -0.54 0.08 0.00 0.77 0.00 0.00 66.41 66.91 2fmi h THR 115 Cb 0.26 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.74 2fmi h THR 115 CO -0.01 0.18 0.11 0.25 0.37 0.00 0.00 175.52 176.41 2fmi h LEU 116 N 0.18 0.03 -0.63 2.58 5.85 -1.00 -1.58 115.31 120.74 2fmi h LEU 116 Ca 0.07 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2fmi h LEU 116 Cb 0.20 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2fmi h LEU 116 CO -0.00 0.05 0.41 -0.08 -0.34 0.00 0.00 178.44 178.47 2fmi h GLU 117 N 0.25 0.80 -0.61 1.25 4.81 -0.88 -0.39 114.58 119.81 2fmi h GLU 117 Ca 0.24 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2fmi h GLU 117 Cb 0.30 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2fmi h GLU 117 CO -0.30 0.53 0.39 0.93 -0.73 0.00 0.00 179.01 179.83 2fmi h GLU 118 N 0.82 0.76 -0.42 1.92 5.08 -0.80 -1.13 114.58 120.82 2fmi h GLU 118 Ca 0.24 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2fmi h GLU 118 Cb -0.05 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2fmi h GLU 118 CO -0.07 0.50 -0.12 0.87 -1.00 0.00 0.00 179.01 179.19 2fmi h LYS 119 N 0.78 0.82 -0.37 2.33 1.79 -0.80 -0.96 116.57 120.16 2fmi h LYS 119 Ca 0.23 -0.32 -0.05 0.00 -2.18 0.00 0.00 60.65 58.33 2fmi h LYS 119 Cb -0.04 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 2fmi h LYS 119 CO -0.07 0.95 0.05 -0.07 -1.08 0.00 0.00 179.45 179.22 2fmi h LEU 120 N 0.64 0.60 -1.07 2.94 3.38 -0.98 -2.60 115.31 118.20 2fmi h LEU 120 Ca 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2fmi h LEU 120 Cb 0.66 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2fmi h LEU 120 CO 0.04 0.72 0.46 0.78 0.09 0.00 0.00 178.44 180.53 2fmi h ASN 121 N 0.45 0.98 -0.52 -0.43 2.35 -1.14 0.66 115.58 117.93 2fmi h ASN 121 Ca 0.11 -0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2fmi h ASN 121 Cb 0.38 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 2fmi h ASN 121 CO 0.01 0.77 0.25 0.11 -1.65 0.00 0.00 177.43 176.92 2fmi h LYS 122 N 1.11 0.48 -0.03 0.81 1.57 -1.02 -1.06 116.57 118.43 2fmi h LYS 122 Ca 0.29 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2fmi h LYS 122 Cb -0.01 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 2fmi h LYS 122 CO -0.05 0.32 -0.00 0.82 -0.57 0.00 0.00 179.45 179.97 2fmi h ILE 123 N 0.49 1.26 -0.74 1.86 2.04 -0.97 -2.28 117.51 119.18 2fmi h ILE 123 Ca 0.23 -0.80 0.12 0.00 1.00 0.00 0.00 64.86 65.41 2fmi h ILE 123 Cb 0.16 1.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.91 2fmi h ILE 123 CO -0.17 0.21 0.35 -0.26 0.00 0.00 0.00 178.15 178.28 2fmi h PHE 124 N -0.27 0.61 -0.13 1.37 0.04 -0.87 -1.00 116.94 116.70 2fmi h PHE 124 Ca 0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 2fmi h PHE 124 Cb 0.34 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2fmi h PHE 124 CO 0.04 0.17 0.04 0.93 -0.60 0.00 0.00 178.31 178.89 2fmi h GLU 125 N 0.55 0.19 -0.72 1.51 5.08 -1.15 0.27 114.58 120.32 2fmi h GLU 125 Ca 0.39 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 2fmi h GLU 125 Cb 0.49 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2fmi h GLU 125 CO -0.33 0.31 0.40 -0.22 -1.00 0.00 0.00 179.01 178.18 2fmi h LYS 126 N 0.03 0.99 -0.01 2.33 1.63 -1.13 -2.83 116.57 117.58 2fmi h LYS 126 Ca 0.04 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2fmi h LYS 126 Cb 0.20 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2fmi h LYS 126 CO -0.00 0.72 -0.07 1.28 -3.45 0.00 0.00 179.45 177.93 2fmi n LEU 127 N -4.37 1.51 -2.23 5.20 4.77 -0.40 -4.95 117.00 116.53 2fmi n LEU 127 Ca 0.07 -0.49 -0.17 0.00 -0.03 0.00 0.00 56.01 55.40 2fmi n LEU 127 Cb 0.09 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2fmi n LEU 127 CO 0.38 0.26 -0.05 0.61 -1.33 0.00 0.00 177.39 177.25 2fmi n GLY 128 N 1.23 -0.25 0.63 -0.72 0.00 -0.20 -5.04 105.19 100.84 2fmi n GLY 128 Ca 0.17 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2fmi n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35