#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c4w s ASP 3 N 0.00 6.52 0.27 0.00 2.15 -1.26 -4.91 116.67 119.43 1c4w s ASP 3 Ca 0.00 0.24 0.21 0.00 0.43 0.00 0.00 52.55 53.42 1c4w s ASP 3 Cb 0.00 -2.40 1.01 0.00 -0.30 0.00 0.00 42.92 41.22 1c4w s ASP 3 CO 0.00 -0.81 1.63 0.29 -0.17 0.00 0.00 175.17 176.11 1c4w n LYS 4 N 6.57 0.15 -0.03 4.34 4.76 -1.26 -1.78 118.16 130.90 1c4w n LYS 4 Ca 0.03 0.53 0.13 0.00 -2.87 0.00 0.00 58.31 56.13 1c4w n LYS 4 Cb 0.48 -1.88 0.29 0.00 -1.84 0.00 0.00 35.03 32.08 1c4w n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1c4w n GLU 5 N -2.18 2.06 -1.58 1.97 -0.58 -1.26 -3.90 120.64 115.17 1c4w n GLU 5 Ca 0.00 -1.55 -0.52 0.00 -0.42 0.00 0.00 57.16 54.67 1c4w n GLU 5 Cb 0.11 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.46 1c4w n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1c4w n LEU 6 N 0.85 1.49 -4.61 -4.62 7.94 -0.74 -4.72 117.00 112.60 1c4w n LEU 6 Ca 0.17 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.78 1c4w n LEU 6 Cb 0.49 -1.17 -0.06 0.00 0.53 0.00 0.00 43.42 43.20 1c4w n LEU 6 CO 0.15 -1.16 0.40 -0.75 -1.11 0.00 0.00 177.39 174.93 1c4w s LYS 7 N 0.30 3.95 0.13 1.96 2.20 -1.26 -4.42 119.74 122.59 1c4w s LYS 7 Ca 0.83 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 1c4w s LYS 7 Cb -0.96 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 31.61 1c4w s LYS 7 CO 0.48 -0.54 0.29 -0.06 -0.36 0.00 0.00 175.35 175.16 1c4w s PHE 8 N 2.61 3.50 -0.15 4.03 0.40 0.10 -0.43 117.98 128.04 1c4w s PHE 8 Ca 0.26 0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.86 1c4w s PHE 8 Cb -0.15 -1.78 0.02 0.00 0.51 0.00 0.00 43.02 41.62 1c4w s PHE 8 CO 0.11 0.51 -0.13 -1.17 0.70 0.00 0.00 175.22 175.23 1c4w s LEU 9 N -2.92 1.66 -0.31 -0.37 2.96 0.24 -0.87 118.68 119.07 1c4w s LEU 9 Ca 0.36 -0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 53.68 1c4w s LEU 9 Cb -0.12 -1.14 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 1c4w s LEU 9 CO 0.28 -0.07 0.16 -0.69 -1.32 0.00 0.00 176.35 174.71 1c4w s VAL 10 N 1.51 4.67 -0.21 1.68 1.01 0.56 -1.21 120.40 128.40 1c4w s VAL 10 Ca 0.05 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1c4w s VAL 10 Cb -0.13 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1c4w s VAL 10 CO -0.10 0.07 -0.05 -0.69 0.00 0.00 0.00 175.10 174.33 1c4w s VAL 11 N 1.63 3.39 -0.18 2.92 1.01 0.91 -0.71 120.40 129.36 1c4w s VAL 11 Ca 0.05 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 1c4w s VAL 11 Cb -0.17 -2.53 0.12 0.00 0.00 0.00 0.00 36.38 33.80 1c4w s VAL 11 CO 0.07 0.43 0.97 -0.62 0.00 0.00 0.00 175.10 175.95 1c4w s ASP 12 N 1.35 -0.42 0.00 3.32 -1.08 -0.27 -4.39 116.67 115.17 1c4w s ASP 12 Ca 0.04 0.57 0.29 0.00 -0.52 0.00 0.00 52.55 52.93 1c4w s ASP 12 Cb -0.14 0.49 1.20 0.00 -1.46 0.00 0.00 42.92 43.00 1c4w s ASP 12 CO -0.02 -0.32 1.89 -0.90 0.52 0.00 0.00 175.17 176.34 1c4w n ASP 13 N 1.15 0.07 -4.51 -0.34 5.75 -1.18 -4.13 116.55 113.36 1c4w n ASP 13 Ca -0.12 0.29 -0.42 0.00 -0.01 0.00 0.00 54.79 54.53 1c4w n ASP 13 Cb 0.57 -0.37 -0.09 0.00 -1.03 0.00 0.00 41.12 40.20 1c4w n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1c4w s PHE 14 N -2.92 3.18 0.38 2.11 0.40 -1.26 -4.94 117.98 114.93 1c4w s PHE 14 Ca 0.16 -0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.33 1c4w s PHE 14 Cb 0.19 -2.82 0.79 0.00 0.51 0.00 0.00 43.02 41.69 1c4w s PHE 14 CO 0.54 -0.60 2.01 0.66 0.70 0.00 0.00 175.22 178.52 1c4w h SER 15 N 8.63 0.58 -0.98 1.36 4.64 -2.00 -1.36 113.55 124.42 1c4w h SER 15 Ca -0.28 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1c4w h SER 15 Cb 1.12 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.03 1c4w h SER 15 CO 0.76 0.40 0.65 0.74 -0.87 0.00 0.00 176.83 178.51 1c4w h THR 16 N 0.67 1.24 -0.63 2.95 2.02 -1.97 -1.27 112.91 115.92 1c4w h THR 16 Ca 0.23 -0.45 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 1c4w h THR 16 Cb 0.09 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.29 1c4w h THR 16 CO -0.06 0.24 0.04 -0.03 0.37 0.00 0.00 175.52 176.07 1c4w h MET 17 N 1.32 1.09 -0.47 6.66 -1.53 -1.69 -1.43 114.93 118.88 1c4w h MET 17 Ca 0.36 -0.33 -0.02 0.00 -3.44 0.00 0.00 59.70 56.28 1c4w h MET 17 Cb -0.14 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 30.78 1c4w h MET 17 CO -0.08 1.04 0.23 0.00 0.14 0.00 0.00 176.91 178.24 1c4w h ARG 18 N 1.00 0.67 -0.17 0.39 3.08 -0.97 -1.75 114.38 116.64 1c4w h ARG 18 Ca 0.18 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.17 1c4w h ARG 18 Cb 0.52 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1c4w h ARG 18 CO 0.03 0.57 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.37 1c4w h ARG 19 N 0.61 0.02 -0.06 0.04 9.65 -1.02 -0.58 114.38 123.05 1c4w h ARG 19 Ca 0.16 -0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.08 1c4w h ARG 19 Cb 0.11 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.63 1c4w h ARG 19 CO -0.02 0.01 -0.31 0.82 2.80 0.00 0.00 179.97 183.27 1c4w h ILE 20 N 0.02 0.32 -0.70 1.20 2.04 -1.02 -0.71 117.51 118.66 1c4w h ILE 20 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 1c4w h ILE 20 Cb 0.12 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 1c4w h ILE 20 CO -0.16 0.00 0.42 0.58 0.00 0.00 0.00 178.15 178.99 1c4w h VAL 21 N -0.42 1.04 -0.57 1.67 2.07 -1.03 0.17 116.25 119.18 1c4w h VAL 21 Ca 0.08 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1c4w h VAL 21 Cb 0.54 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1c4w h VAL 21 CO -0.30 0.15 0.35 -0.09 0.02 0.00 0.00 177.57 177.70 1c4w h ARG 22 N 0.80 0.77 -0.49 1.57 2.43 -0.92 -0.64 114.38 117.92 1c4w h ARG 22 Ca 0.30 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.27 1c4w h ARG 22 Cb 0.10 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1c4w h ARG 22 CO -0.14 0.56 -0.20 -0.91 -1.51 0.00 0.00 179.97 177.76 1c4w h ASN 23 N 0.77 1.01 -0.79 -3.80 2.35 -0.72 0.86 115.58 115.26 1c4w h ASN 23 Ca 0.21 -0.38 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 1c4w h ASN 23 Cb -0.02 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.03 1c4w h ASN 23 CO -0.04 1.17 0.33 -0.07 -1.65 0.00 0.00 177.43 177.17 1c4w h LEU 24 N 0.86 1.09 -0.38 1.61 3.38 -0.67 0.09 115.31 121.29 1c4w h LEU 24 Ca 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1c4w h LEU 24 Cb 0.78 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1c4w h LEU 24 CO 0.06 0.96 0.16 -0.07 0.09 0.00 0.00 178.44 179.64 1c4w h LEU 25 N 1.15 0.52 -0.59 1.67 3.38 -0.72 -2.54 115.31 118.17 1c4w h LEU 25 Ca 0.27 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.15 1c4w h LEU 25 Cb 0.20 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1c4w h LEU 25 CO -0.02 0.53 0.28 0.50 0.09 0.00 0.00 178.44 179.81 1c4w h LYS 26 N 0.47 0.49 -0.92 1.13 3.64 -0.34 0.15 116.57 121.19 1c4w h LYS 26 Ca 0.13 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.62 1c4w h LYS 26 Cb 0.17 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.80 1c4w h LYS 26 CO -0.01 0.33 0.59 1.49 -2.27 0.00 0.00 179.45 179.57 1c4w h GLU 27 N 0.51 0.75 -0.01 1.90 4.81 -0.86 0.17 114.58 121.86 1c4w h GLU 27 Ca 0.28 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1c4w h GLU 27 Cb 0.26 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1c4w h GLU 27 CO -0.23 0.50 -0.09 1.28 -0.73 0.00 0.00 179.01 179.73 1c4w n LEU 28 N -4.58 0.65 0.00 1.64 4.77 -0.33 -4.89 117.00 114.26 1c4w n LEU 28 Ca 0.18 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1c4w n LEU 28 Cb 0.44 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1c4w n LEU 28 CO 0.29 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1c4w n GLY 29 N 1.23 0.84 3.29 -0.72 0.00 0.61 -5.05 105.19 105.41 1c4w n GLY 29 Ca 0.16 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.33 1c4w n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c4w s PHE 30 N -2.00 3.41 -0.63 1.61 0.08 0.38 -4.80 117.98 116.02 1c4w s PHE 30 Ca 0.00 -1.59 0.23 0.00 0.12 0.00 0.00 56.93 55.70 1c4w s PHE 30 Cb 0.00 -3.75 0.14 0.00 -0.57 0.00 0.00 43.02 38.85 1c4w s PHE 30 CO 0.00 -1.00 1.12 0.09 -0.10 0.00 0.00 175.22 175.32 1c4w n ASN 31 N 4.84 0.63 -4.50 1.36 3.02 -1.25 -3.27 115.26 116.09 1c4w n ASN 31 Ca -0.06 -0.12 -0.43 0.00 -0.03 0.00 0.00 54.58 53.94 1c4w n ASN 31 Cb 0.42 0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 40.16 1c4w n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1c4w s ASN 32 N -3.97 6.50 -0.01 6.41 2.47 -1.26 -4.97 114.94 120.11 1c4w s ASN 32 Ca 0.05 -1.61 0.02 0.00 0.42 0.00 0.00 52.86 51.74 1c4w s ASN 32 Cb 0.14 -2.48 -0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1c4w s ASN 32 CO 0.78 -1.32 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.08 1c4w s VAL 33 N 3.88 0.55 0.19 -5.21 1.01 -1.26 -0.72 120.40 118.84 1c4w s VAL 33 Ca 0.37 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.11 1c4w s VAL 33 Cb -0.04 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 1c4w s VAL 33 CO -0.06 0.16 -0.09 -1.61 0.00 0.00 0.00 175.10 173.50 1c4w s GLU 34 N -0.11 1.24 0.10 2.72 0.41 -0.05 -4.97 118.70 118.05 1c4w s GLU 34 Ca 0.02 -1.57 0.09 0.00 -0.41 0.00 0.00 54.97 53.10 1c4w s GLU 34 Cb -0.03 -0.81 -0.04 0.00 -1.78 0.00 0.00 34.13 31.47 1c4w s GLU 34 CO -0.00 0.06 -0.23 -1.21 -0.49 0.00 0.00 175.26 173.39 1c4w s GLU 35 N -3.74 1.27 0.02 1.61 2.02 -1.26 -0.32 118.70 118.29 1c4w s GLU 35 Ca 0.22 -1.21 0.02 0.00 0.02 0.00 0.00 54.97 54.03 1c4w s GLU 35 Cb 0.02 -1.60 -0.01 0.00 0.10 0.00 0.00 34.13 32.64 1c4w s GLU 35 CO 0.05 0.38 -0.07 0.00 0.02 0.00 0.00 175.26 175.64 1c4w s ALA 36 N -1.08 0.58 -1.78 5.21 0.00 0.11 -4.90 121.76 119.91 1c4w s ALA 36 Ca 0.09 -0.48 0.25 0.00 0.00 0.00 0.00 51.96 51.82 1c4w s ALA 36 Cb -0.10 -0.07 0.50 0.00 0.00 0.00 0.00 23.12 23.45 1c4w s ALA 36 CO 0.05 0.08 1.40 -0.85 0.00 0.00 0.00 175.76 176.44 1c4w n GLU 37 N 2.33 0.88 -3.78 0.00 0.28 -1.26 -1.12 120.64 117.97 1c4w n GLU 37 Ca -0.17 -0.60 -0.00 0.00 -0.16 0.00 0.00 57.16 56.23 1c4w n GLU 37 Cb 0.56 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.95 1c4w n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1c4w s ASP 38 N -2.53 -0.06 0.26 -1.84 1.47 -1.26 -3.13 116.67 109.58 1c4w s ASP 38 Ca 0.22 -0.33 -0.05 0.00 1.18 0.00 0.00 52.55 53.57 1c4w s ASP 38 Cb 0.19 0.30 0.32 0.00 -0.34 0.00 0.00 42.92 43.39 1c4w s ASP 38 CO 0.55 -0.58 1.93 1.23 0.68 0.00 0.00 175.17 178.99 1c4w h GLY 39 N 2.00 1.38 0.99 2.12 0.00 -1.47 0.35 103.07 108.43 1c4w h GLY 39 Ca -0.27 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 1c4w h GLY 39 CO 0.30 0.47 -0.18 -2.08 0.00 0.00 0.00 176.54 175.06 1c4w h VAL 40 N 1.29 0.64 -0.78 4.60 2.07 -1.91 -0.58 116.25 121.58 1c4w h VAL 40 Ca 0.36 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.88 1c4w h VAL 40 Cb -0.10 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1c4w h VAL 40 CO -0.09 0.01 0.50 -0.78 0.02 0.00 0.00 177.57 177.23 1c4w h ASP 41 N -0.52 0.83 -0.79 0.57 3.58 -1.93 -0.38 116.42 117.78 1c4w h ASP 41 Ca -0.05 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.43 1c4w h ASP 41 Cb 0.39 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.21 1c4w h ASP 41 CO 0.08 0.57 0.50 0.00 -2.88 0.00 0.00 179.24 177.52 1c4w h ALA 42 N 1.32 1.04 -0.37 -0.78 0.00 -0.52 -1.35 119.26 118.61 1c4w h ALA 42 Ca 0.31 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1c4w h ALA 42 Cb -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1c4w h ALA 42 CO -0.11 0.32 -0.15 -0.07 0.00 0.00 0.00 179.25 179.24 1c4w h LEU 43 N 0.98 0.78 -0.68 0.00 3.38 0.22 0.24 115.31 120.23 1c4w h LEU 43 Ca 0.32 -0.39 0.12 0.00 0.09 0.00 0.00 57.88 58.01 1c4w h LEU 43 Cb 0.01 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.46 1c4w h LEU 43 CO -0.11 1.00 0.27 0.78 0.09 0.00 0.00 178.44 180.46 1c4w h ASN 44 N 0.56 0.26 -0.11 -0.43 2.35 -0.85 0.15 115.58 117.50 1c4w h ASN 44 Ca 0.09 0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 1c4w h ASN 44 Cb 0.69 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 1c4w h ASN 44 CO 0.05 0.13 -0.17 0.11 -1.65 0.00 0.00 177.43 175.90 1c4w h LYS 45 N 0.44 0.31 0.00 0.81 1.57 -0.81 -2.84 116.57 116.05 1c4w h LYS 45 Ca 0.36 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1c4w h LYS 45 Cb 0.49 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1c4w h LYS 45 CO -0.35 0.76 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.12 1c4w h LEU 46 N -0.11 0.00 -1.48 2.94 3.38 0.04 -0.95 115.31 119.13 1c4w h LEU 46 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1c4w h LEU 46 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1c4w h LEU 46 CO 0.04 0.10 -0.17 1.56 0.09 0.00 0.00 178.44 180.05 1c4w h GLN 47 N 0.00 0.00 0.00 1.13 4.20 -0.75 -1.67 115.11 118.02 1c4w h GLN 47 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1c4w h GLN 47 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1c4w h GLN 47 CO 0.01 0.17 -0.17 0.00 -0.67 0.00 0.00 178.83 178.17 1c4w h ALA 48 N 1.83 1.24 0.00 3.87 0.00 -0.98 -3.49 119.26 121.73 1c4w h ALA 48 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1c4w h ALA 48 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1c4w h ALA 48 CO 0.02 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1c4w n GLY 49 N -0.49 -0.73 1.45 0.00 0.00 -0.63 -5.02 105.19 99.77 1c4w n GLY 49 Ca -0.01 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1c4w n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c4w n GLY 50 N -0.67 0.68 3.78 -0.02 0.00 -1.26 -4.99 105.19 102.71 1c4w n GLY 50 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1c4w n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1c4w s TYR 51 N -2.18 3.71 0.00 1.61 2.02 -1.26 -4.52 117.35 116.73 1c4w s TYR 51 Ca 0.00 1.73 0.00 0.00 -0.37 0.00 0.00 57.07 58.43 1c4w s TYR 51 Cb 0.00 -2.88 0.00 0.00 -0.40 0.00 0.00 41.96 38.68 1c4w s TYR 51 CO 0.00 0.25 0.14 0.41 -1.57 0.00 0.00 175.55 174.79 1c4w n GLY 52 N 0.67 0.29 3.61 0.71 0.00 0.43 -4.90 105.19 106.01 1c4w n GLY 52 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1c4w n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c4w s PHE 53 N -0.64 -0.62 -0.05 1.61 2.19 -0.88 -4.31 117.98 115.28 1c4w s PHE 53 Ca 0.00 1.42 0.04 0.00 0.33 0.00 0.00 56.93 58.72 1c4w s PHE 53 Cb 0.00 0.34 -0.00 0.00 -1.31 0.00 0.00 43.02 42.05 1c4w s PHE 53 CO 0.00 -0.35 -0.19 0.08 1.83 0.00 0.00 175.22 176.59 1c4w s VAL 54 N -0.03 1.57 -0.22 3.12 1.01 -0.45 -0.59 120.40 124.81 1c4w s VAL 54 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1c4w s VAL 54 Cb -0.04 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 35.05 1c4w s VAL 54 CO -0.00 0.45 -0.04 -0.63 0.00 0.00 0.00 175.10 174.87 1c4w s ILE 55 N 0.09 1.37 0.00 2.22 1.01 -0.35 0.08 121.20 125.62 1c4w s ILE 55 Ca -0.06 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.51 1c4w s ILE 55 Cb -0.13 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1c4w s ILE 55 CO 0.03 -0.08 0.00 -0.24 0.00 0.00 0.00 174.94 174.65 1c4w n SER 56 N 4.74 0.00 -0.02 3.58 2.88 -0.59 -0.06 113.62 124.15 1c4w n SER 56 Ca -0.12 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.38 1c4w n SER 56 Cb 0.45 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.89 1c4w n SER 56 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1c4w n TRP 58 N 0.00 0.00 -3.40 0.66 -0.00 0.38 0.45 117.44 115.52 1c4w n TRP 58 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.09 1c4w n TRP 58 Cb 0.00 -0.16 -0.09 0.00 -0.00 0.00 0.00 31.31 31.05 1c4w n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1c4w s ASN 59 N -5.57 6.17 -0.01 5.87 -0.87 -1.26 -0.77 114.94 118.49 1c4w s ASN 59 Ca -0.07 -0.36 -0.09 0.00 -1.57 0.00 0.00 52.86 50.77 1c4w s ASN 59 Cb 0.02 -2.19 0.01 0.00 -0.02 0.00 0.00 41.25 39.07 1c4w s ASN 59 CO 0.09 -0.38 0.19 -0.04 -2.57 0.00 0.00 177.10 174.39 1c4w s MET 60 N 2.00 0.50 0.87 -0.60 -1.94 -1.26 -4.76 119.30 114.10 1c4w s MET 60 Ca 0.11 -0.24 -0.11 0.00 -1.71 0.00 0.00 55.69 53.73 1c4w s MET 60 Cb -0.17 0.21 0.11 0.00 2.01 0.00 0.00 34.83 37.00 1c4w s MET 60 CO 0.12 -0.12 1.09 -1.25 -0.01 0.00 0.00 175.02 174.85 1c4w s PRO 61 N -1.15 1.47 0.00 2.03 0.04 -1.26 -3.59 135.00 132.54 1c4w s PRO 61 Ca -0.12 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1c4w s PRO 61 Cb -0.06 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1c4w s PRO 61 CO 0.02 -2.10 0.00 0.09 0.04 0.00 0.00 177.00 175.05 1c4w n ASN 62 N -3.79 0.00 -3.53 6.66 3.02 -1.26 -4.41 115.26 111.94 1c4w n ASN 62 Ca 0.07 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.48 1c4w n ASN 62 Cb 0.55 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.60 1c4w n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1c4w s MET 63 N 0.00 0.21 0.95 3.52 1.75 -1.26 -4.98 119.30 119.48 1c4w s MET 63 Ca 0.00 0.49 -0.15 0.00 -1.25 0.00 0.00 55.69 54.77 1c4w s MET 63 Cb 0.00 -0.60 0.18 0.00 2.84 0.00 0.00 34.83 37.25 1c4w s MET 63 CO 0.00 -0.51 1.27 0.16 -0.65 0.00 0.00 175.02 175.29 1c4w s ASP 64 N 2.41 3.22 0.25 1.11 1.47 -1.24 -1.40 116.67 122.49 1c4w s ASP 64 Ca 0.06 0.44 -0.06 0.00 1.18 0.00 0.00 52.55 54.17 1c4w s ASP 64 Cb -0.14 -0.61 0.28 0.00 -0.34 0.00 0.00 42.92 42.10 1c4w s ASP 64 CO -0.11 -2.68 1.92 1.23 0.68 0.00 0.00 175.17 176.21 1c4w h GLY 65 N -1.60 1.43 1.04 2.12 0.00 -1.26 -1.14 103.07 103.64 1c4w h GLY 65 Ca -0.45 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.29 1c4w h GLY 65 CO 0.44 0.49 0.11 -2.00 0.00 0.00 0.00 176.54 175.59 1c4w h LEU 66 N 1.34 0.96 -0.46 3.11 5.85 -1.94 -0.90 115.31 123.26 1c4w h LEU 66 Ca 0.38 -0.25 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 1c4w h LEU 66 Cb -0.12 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.64 1c4w h LEU 66 CO -0.09 0.97 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.65 1c4w h GLU 67 N 0.91 0.99 -0.31 1.25 4.81 -1.87 0.54 114.58 120.89 1c4w h GLU 67 Ca 0.19 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1c4w h GLU 67 Cb 0.41 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1c4w h GLU 67 CO 0.01 1.11 0.20 1.25 -0.73 0.00 0.00 179.01 180.85 1c4w h LEU 68 N 0.84 0.36 -0.15 1.64 5.85 -1.06 -1.10 115.31 121.68 1c4w h LEU 68 Ca 0.10 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1c4w h LEU 68 Cb 0.83 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1c4w h LEU 68 CO 0.07 0.29 0.07 0.25 -0.34 0.00 0.00 178.44 178.78 1c4w h LEU 69 N 0.41 0.10 -0.90 2.25 5.85 -1.00 0.24 115.31 122.26 1c4w h LEU 69 Ca 0.11 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1c4w h LEU 69 Cb -0.02 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1c4w h LEU 69 CO -0.02 0.08 0.59 0.11 -0.34 0.00 0.00 178.44 178.87 1c4w h LYS 70 N 0.16 1.17 -0.28 1.25 1.57 -0.65 -1.07 116.57 118.72 1c4w h LYS 70 Ca 0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1c4w h LYS 70 Cb 0.01 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1c4w h LYS 70 CO -0.04 0.77 0.13 1.15 -0.57 0.00 0.00 179.45 180.89 1c4w h THR 71 N 1.20 1.16 -0.22 -0.16 2.02 -0.75 -1.44 112.91 114.72 1c4w h THR 71 Ca 0.34 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1c4w h THR 71 Cb -0.11 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1c4w h THR 71 CO -0.08 0.16 0.14 0.40 0.37 0.00 0.00 175.52 176.51 1c4w h ILE 72 N 0.32 1.06 0.00 3.11 2.04 -0.74 -2.54 117.51 120.76 1c4w h ILE 72 Ca 0.10 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1c4w h ILE 72 Cb 0.14 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1c4w h ILE 72 CO -0.01 0.06 -0.15 0.03 0.00 0.00 0.00 178.15 178.08 1c4w h ARG 73 N 0.29 0.00 -0.01 2.37 2.47 -0.86 -1.95 114.38 116.69 1c4w h ARG 73 Ca 0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1c4w h ARG 73 Cb -0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1c4w h ARG 73 CO -0.02 0.15 -0.20 0.00 0.56 0.00 0.00 179.97 180.46 1c4w n ALA 74 N -2.32 2.95 -2.64 0.04 0.00 -0.57 -4.63 120.51 113.34 1c4w n ALA 74 Ca -0.02 -0.34 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 1c4w n ALA 74 Cb 0.26 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 1c4w n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1c4w s ASP 75 N -2.53 6.69 0.12 0.00 -1.08 -0.74 -4.97 116.67 114.16 1c4w s ASP 75 Ca 0.25 0.84 -0.34 0.00 -0.52 0.00 0.00 52.55 52.79 1c4w s ASP 75 Cb 0.19 -2.37 -0.12 0.00 -1.46 0.00 0.00 42.92 39.16 1c4w s ASP 75 CO 0.51 -0.37 1.55 1.23 0.52 0.00 0.00 175.17 178.61 1c4w h GLY 76 N 8.72 -1.06 2.00 2.66 0.00 -1.88 0.67 103.07 114.18 1c4w h GLY 76 Ca -0.27 0.68 -0.06 0.00 0.00 0.00 0.00 47.33 47.67 1c4w h GLY 76 CO 0.80 -0.19 -0.29 0.00 0.00 0.00 0.00 176.54 176.85 1c4w h ALA 77 N -0.25 1.38 -0.15 3.60 0.00 -1.93 -3.22 119.26 118.69 1c4w h ALA 77 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1c4w h ALA 77 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1c4w h ALA 77 CO -0.45 0.37 0.00 -1.33 0.00 0.00 0.00 179.25 177.84 1c4w n MET 78 N -4.00 2.62 -0.20 0.00 2.81 -1.06 -4.75 117.12 112.53 1c4w n MET 78 Ca -0.02 -2.12 0.30 0.00 -1.81 0.00 0.00 57.70 54.05 1c4w n MET 78 Cb 0.36 -1.33 0.73 0.00 -0.71 0.00 0.00 33.22 32.26 1c4w n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1c4w h SER 79 N 0.93 0.00 -0.38 7.83 4.64 0.33 -1.18 113.55 125.72 1c4w h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c4w h SER 79 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1c4w h SER 79 CO 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1c4w n ALA 80 N -2.70 3.08 -1.74 5.18 0.00 -1.26 -4.48 120.51 118.58 1c4w n ALA 80 Ca 0.20 -2.00 -0.42 0.00 0.00 0.00 0.00 53.44 51.22 1c4w n ALA 80 Cb 1.03 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 1c4w n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1c4w s LEU 81 N -2.46 4.36 0.31 0.00 2.96 -0.45 -4.92 118.68 118.48 1c4w s LEU 81 Ca 0.43 2.92 -0.29 0.00 -0.22 0.00 0.00 54.13 56.97 1c4w s LEU 81 Cb 0.33 -3.62 -0.11 0.00 0.50 0.00 0.00 46.19 43.29 1c4w s LEU 81 CO 0.13 -0.95 1.49 -2.84 -1.32 0.00 0.00 176.35 172.85 1c4w s PRO 82 N 0.37 4.19 -0.15 0.98 0.02 -1.26 -4.90 135.00 134.24 1c4w s PRO 82 Ca 0.69 2.45 -0.03 0.00 0.02 0.00 0.00 61.00 64.14 1c4w s PRO 82 Cb -0.49 -3.04 0.05 0.00 0.02 0.00 0.00 34.50 31.04 1c4w s PRO 82 CO 0.40 -0.49 0.03 0.08 -0.33 0.00 0.00 177.00 176.69 1c4w s VAL 83 N -0.44 0.39 -0.22 3.83 1.01 -1.25 -1.34 120.40 122.39 1c4w s VAL 83 Ca 0.58 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 1c4w s VAL 83 Cb -0.45 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1c4w s VAL 83 CO 0.51 -0.07 0.11 -0.22 0.00 0.00 0.00 175.10 175.43 1c4w s LEU 84 N 1.93 3.91 0.07 3.92 2.96 0.11 -1.01 118.68 130.58 1c4w s LEU 84 Ca 0.01 0.05 -0.20 0.00 -0.22 0.00 0.00 54.13 53.78 1c4w s LEU 84 Cb -0.15 -2.03 -0.07 0.00 0.50 0.00 0.00 46.19 44.44 1c4w s LEU 84 CO -0.07 0.09 0.59 -0.32 -1.32 0.00 0.00 176.35 175.32 1c4w s MET 85 N 0.90 4.25 -0.09 1.98 -2.45 -0.16 -1.54 119.30 122.18 1c4w s MET 85 Ca 0.06 0.77 0.03 0.00 -1.25 0.00 0.00 55.69 55.30 1c4w s MET 85 Cb -0.13 -3.26 -0.01 0.00 1.25 0.00 0.00 34.83 32.68 1c4w s MET 85 CO 0.03 0.59 -0.19 0.08 1.05 0.00 0.00 175.02 176.57 1c4w s VAL 86 N -0.95 2.54 0.00 10.11 1.01 0.17 -0.57 120.40 132.72 1c4w s VAL 86 Ca 0.30 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1c4w s VAL 86 Cb -0.20 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 1c4w s VAL 86 CO 0.19 0.56 0.11 0.28 0.00 0.00 0.00 175.10 176.24 1c4w s THR 87 N 0.01 0.08 -0.62 3.92 -1.32 -0.47 -0.47 115.64 116.76 1c4w s THR 87 Ca -0.07 -0.68 0.24 0.00 -1.21 0.00 0.00 61.69 59.98 1c4w s THR 87 Cb -0.15 -0.39 0.12 0.00 -1.51 0.00 0.00 72.50 70.57 1c4w s THR 87 CO 0.05 -0.37 1.42 0.00 -2.21 0.00 0.00 174.62 173.51 1c4w h ALA 88 N 4.45 0.70 -3.30 11.08 0.00 -1.87 0.34 119.26 130.66 1c4w h ALA 88 Ca -0.31 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.15 1c4w h ALA 88 Cb 1.20 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.62 1c4w h ALA 88 CO 0.41 0.00 -0.78 -2.00 0.00 0.00 0.00 179.25 176.88 1c4w s GLU 89 N -3.17 0.91 -0.07 0.00 2.12 -1.26 -4.72 118.70 112.51 1c4w s GLU 89 Ca 0.07 -0.05 -0.24 0.00 0.36 0.00 0.00 54.97 55.10 1c4w s GLU 89 Cb 0.12 -1.08 -0.03 0.00 0.26 0.00 0.00 34.13 33.40 1c4w s GLU 89 CO 0.69 -0.22 0.75 0.00 -0.54 0.00 0.00 175.26 175.94 1c4w s ALA 90 N 1.57 3.33 -0.06 6.30 0.00 -1.26 -5.02 121.76 126.62 1c4w s ALA 90 Ca -0.00 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1c4w s ALA 90 Cb -0.13 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1c4w s ALA 90 CO -0.04 -0.17 -0.11 0.15 0.00 0.00 0.00 175.76 175.59 1c4w s LYS 91 N 0.96 1.47 0.19 0.00 1.02 -1.26 -5.04 119.74 117.08 1c4w s LYS 91 Ca 0.39 -0.35 -0.14 0.00 0.02 0.00 0.00 55.97 55.89 1c4w s LYS 91 Cb -0.18 -1.26 0.19 0.00 -0.52 0.00 0.00 37.83 36.06 1c4w s LYS 91 CO 0.19 0.03 1.68 -0.22 -0.92 0.00 0.00 175.35 176.10 1c4w h LYS 92 N 6.91 0.10 -0.77 1.68 3.64 -2.00 -1.75 116.57 124.38 1c4w h LYS 92 Ca -0.33 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1c4w h LYS 92 Cb 1.18 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1c4w h LYS 92 CO 0.48 0.06 0.32 0.93 -2.27 0.00 0.00 179.45 178.97 1c4w h GLU 93 N 0.10 1.15 -0.52 1.90 3.07 -1.99 -0.63 114.58 117.66 1c4w h GLU 93 Ca 0.25 -0.20 -0.09 0.00 -0.50 0.00 0.00 59.36 58.83 1c4w h GLU 93 Cb 0.38 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1c4w h GLU 93 CO -0.43 0.92 -0.02 -0.91 -1.40 0.00 0.00 179.01 177.16 1c4w h ASN 94 N 1.12 0.92 -0.19 1.42 2.35 -1.88 -0.88 115.58 118.44 1c4w h ASN 94 Ca 0.26 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1c4w h ASN 94 Cb 0.20 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1c4w h ASN 94 CO -0.02 1.01 0.07 0.40 -1.65 0.00 0.00 177.43 177.24 1c4w h ILE 95 N 0.80 1.17 -0.01 2.81 2.04 -0.99 -0.58 117.51 122.76 1c4w h ILE 95 Ca 0.14 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1c4w h ILE 95 Cb 0.56 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1c4w h ILE 95 CO 0.03 0.16 0.00 0.40 0.00 0.00 0.00 178.15 178.74 1c4w h ILE 96 N 0.14 1.12 -0.77 -0.67 2.04 -1.01 -0.84 117.51 117.52 1c4w h ILE 96 Ca 0.06 -0.35 0.11 0.00 1.00 0.00 0.00 64.86 65.69 1c4w h ILE 96 Cb 0.19 1.34 -0.08 0.00 -0.74 0.00 0.00 36.82 37.53 1c4w h ILE 96 CO -0.00 0.09 0.38 0.00 0.00 0.00 0.00 178.15 178.62 1c4w h ALA 97 N 0.86 1.09 -0.17 1.87 0.00 -1.09 -1.14 119.26 120.68 1c4w h ALA 97 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1c4w h ALA 97 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1c4w h ALA 97 CO -0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 179.25 179.14 1c4w h ALA 98 N 1.48 0.23 -0.11 0.00 0.00 -0.93 -1.37 119.26 118.56 1c4w h ALA 98 Ca 0.39 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1c4w h ALA 98 Cb 0.47 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1c4w h ALA 98 CO -0.31 0.00 -0.09 0.00 0.00 0.00 0.00 179.25 178.86 1c4w h ALA 99 N 0.71 -0.00 -0.91 0.00 0.00 -0.56 0.14 119.26 118.64 1c4w h ALA 99 Ca 0.04 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1c4w h ALA 99 Cb 0.49 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1c4w h ALA 99 CO 0.02 -0.55 0.60 1.96 0.00 0.00 0.00 179.25 181.28 1c4w h GLN 100 N -0.10 1.17 0.00 0.00 4.20 -1.21 -0.53 115.11 118.63 1c4w h GLN 100 Ca 0.07 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1c4w h GLN 100 Cb 0.21 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1c4w h GLN 100 CO -0.17 0.77 0.00 0.00 -0.67 0.00 0.00 178.83 178.76 1c4w n ALA 101 N -2.40 2.54 -0.95 3.87 0.00 -0.52 -4.88 120.51 118.17 1c4w n ALA 101 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1c4w n ALA 101 Cb 0.04 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1c4w n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c4w n GLY 102 N 0.74 1.07 3.77 0.00 0.00 -0.21 -4.69 105.19 105.87 1c4w n GLY 102 Ca 0.20 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1c4w n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c4w s ALA 103 N -2.00 3.52 0.27 4.61 0.00 0.44 -4.86 121.76 123.74 1c4w s ALA 103 Ca 0.00 1.40 0.03 0.00 0.00 0.00 0.00 51.96 53.39 1c4w s ALA 103 Cb 0.00 -3.54 0.37 0.00 0.00 0.00 0.00 23.12 19.95 1c4w s ALA 103 CO 0.00 -0.83 1.67 0.77 0.00 0.00 0.00 175.76 177.37 1c4w h SER 104 N 3.19 0.41 -5.66 0.00 0.02 -1.40 -3.44 113.55 106.66 1c4w h SER 104 Ca -0.50 -0.17 0.28 0.00 -0.84 0.00 0.00 61.79 60.56 1c4w h SER 104 Cb 1.23 -0.11 -0.09 0.00 0.14 0.00 0.00 62.40 63.57 1c4w h SER 104 CO 0.65 0.75 0.75 -0.83 -1.14 0.00 0.00 176.83 177.01 1c4w s GLY 105 N -4.12 -0.23 -0.04 -3.77 0.00 -1.22 -4.87 107.32 93.07 1c4w s GLY 105 Ca -0.06 0.28 -0.03 0.00 0.00 0.00 0.00 44.72 44.90 1c4w s GLY 105 CO 0.79 1.79 0.11 -0.47 0.00 0.00 0.00 173.10 175.32 1c4w s TYR 106 N -2.42 -0.12 0.01 1.90 5.04 -1.26 -0.99 117.35 119.51 1c4w s TYR 106 Ca 0.19 0.31 0.02 0.00 -2.44 0.00 0.00 57.07 55.14 1c4w s TYR 106 Cb 0.01 0.01 -0.01 0.00 0.35 0.00 0.00 41.96 42.33 1c4w s TYR 106 CO -0.01 -0.07 -0.06 0.54 -1.34 0.00 0.00 175.55 174.61 1c4w s VAL 107 N 0.25 0.43 -0.07 3.14 0.11 0.26 -4.93 120.40 119.59 1c4w s VAL 107 Ca -0.02 -0.48 -0.18 0.00 -2.93 0.00 0.00 61.98 58.38 1c4w s VAL 107 Cb -0.03 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 1c4w s VAL 107 CO -0.01 -0.05 0.49 -0.69 -3.33 0.00 0.00 175.10 171.51 1c4w s VAL 108 N -0.51 5.09 0.21 2.04 1.01 -1.26 -1.37 120.40 125.61 1c4w s VAL 108 Ca -0.02 0.99 0.06 0.00 0.00 0.00 0.00 61.98 63.01 1c4w s VAL 108 Cb -0.04 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1c4w s VAL 108 CO -0.00 0.40 0.20 -1.59 0.00 0.00 0.00 175.10 174.11 1c4w s LYS 109 N 0.11 3.03 0.44 2.72 0.00 0.12 -4.20 119.74 121.96 1c4w s LYS 109 Ca 0.27 -0.91 -0.24 0.00 0.00 0.00 0.00 55.97 55.09 1c4w s LYS 109 Cb -0.16 -2.67 -0.08 0.00 0.00 0.00 0.00 37.83 34.92 1c4w s LYS 109 CO 0.12 0.45 1.16 -1.25 0.00 0.00 0.00 175.35 175.83 1c4w s PRO 110 N -3.53 3.86 0.17 1.78 0.04 -1.26 -4.52 135.00 131.53 1c4w s PRO 110 Ca 0.32 1.78 0.04 0.00 0.04 0.00 0.00 61.00 63.19 1c4w s PRO 110 Cb -0.09 -2.49 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 1c4w s PRO 110 CO 0.25 -0.47 -0.07 -0.59 0.04 0.00 0.00 177.00 176.16 1c4w s PHE 111 N -1.51 1.33 0.43 0.56 -0.12 -1.26 -5.16 117.98 112.23 1c4w s PHE 111 Ca 0.62 -0.83 0.08 0.00 -0.05 0.00 0.00 56.93 56.75 1c4w s PHE 111 Cb -0.29 -0.71 0.01 0.00 -0.63 0.00 0.00 43.02 41.40 1c4w s PHE 111 CO 0.35 0.02 0.54 0.95 -0.05 0.00 0.00 175.22 177.04 1c4w s THR 112 N -3.39 2.89 0.27 -4.49 -4.23 -1.26 -4.96 115.64 100.48 1c4w s THR 112 Ca 0.20 -1.06 -0.04 0.00 -1.18 0.00 0.00 61.69 59.61 1c4w s THR 112 Cb 0.04 -2.96 0.24 0.00 1.34 0.00 0.00 72.50 71.16 1c4w s THR 112 CO 0.03 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.03 1c4w h ALA 113 N 0.69 1.31 -0.60 3.99 0.00 -1.99 -0.83 119.26 121.83 1c4w h ALA 113 Ca -0.40 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1c4w h ALA 113 Cb 1.28 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1c4w h ALA 113 CO 0.47 0.60 0.21 0.00 0.00 0.00 0.00 179.25 180.53 1c4w h ALA 114 N 1.40 1.25 -0.05 0.00 0.00 -1.97 0.34 119.26 120.24 1c4w h ALA 114 Ca 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1c4w h ALA 114 Cb -0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1c4w h ALA 114 CO -0.06 0.54 -0.00 1.15 0.00 0.00 0.00 179.25 180.88 1c4w h THR 115 N 0.87 1.26 -0.33 0.00 2.02 -1.68 -2.28 112.91 112.77 1c4w h THR 115 Ca 0.20 -0.80 0.07 0.00 0.77 0.00 0.00 66.41 66.65 1c4w h THR 115 Cb 0.21 1.71 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 1c4w h THR 115 CO -0.01 0.22 -0.08 0.25 0.37 0.00 0.00 175.52 176.26 1c4w h LEU 116 N -0.23 -0.31 -0.41 2.58 5.85 -0.98 -1.76 115.31 120.05 1c4w h LEU 116 Ca 0.01 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1c4w h LEU 116 Cb 0.35 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 1c4w h LEU 116 CO 0.00 -0.11 -0.15 -0.08 -0.34 0.00 0.00 178.44 177.76 1c4w h GLU 117 N -0.00 -0.07 -0.49 1.25 4.81 -0.28 0.11 114.58 119.91 1c4w h GLU 117 Ca 0.16 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1c4w h GLU 117 Cb 0.24 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1c4w h GLU 117 CO -0.34 -0.04 0.24 1.49 -0.73 0.00 0.00 179.01 179.63 1c4w h GLU 118 N -0.07 0.46 0.05 1.92 4.81 -0.95 0.16 114.58 120.96 1c4w h GLU 118 Ca 0.20 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1c4w h GLU 118 Cb 0.37 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1c4w h GLU 118 CO -0.45 0.31 -0.02 0.87 -0.73 0.00 0.00 179.01 178.98 1c4w h LYS 119 N 0.48 -0.06 -0.09 1.92 1.79 -0.56 -2.15 116.57 117.89 1c4w h LYS 119 Ca 0.22 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.70 1c4w h LYS 119 Cb 0.14 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1c4w h LYS 119 CO -0.16 0.12 0.04 -0.07 -1.08 0.00 0.00 179.45 178.30 1c4w h LEU 120 N -0.23 0.05 -0.82 2.94 3.38 -0.49 -2.55 115.31 117.59 1c4w h LEU 120 Ca -0.01 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1c4w h LEU 120 Cb 0.21 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1c4w h LEU 120 CO 0.01 0.05 0.52 0.78 0.09 0.00 0.00 178.44 179.89 1c4w h ASN 121 N 0.09 0.87 -0.52 -0.43 2.35 -0.70 0.11 115.58 117.35 1c4w h ASN 121 Ca 0.04 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1c4w h ASN 121 Cb 0.01 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 1c4w h ASN 121 CO -0.03 0.60 0.21 0.50 -1.65 0.00 0.00 177.43 177.06 1c4w h LYS 122 N 1.02 0.83 -0.04 0.81 3.64 -1.07 -1.70 116.57 120.05 1c4w h LYS 122 Ca 0.32 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.40 1c4w h LYS 122 Cb -0.00 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1c4w h LYS 122 CO -0.11 0.69 -0.62 0.82 -2.27 0.00 0.00 179.45 177.96 1c4w h ILE 123 N 0.81 1.38 -0.14 2.00 2.04 -1.06 -1.82 117.51 120.72 1c4w h ILE 123 Ca 0.19 -2.00 0.04 0.00 1.00 0.00 0.00 64.86 64.09 1c4w h ILE 123 Cb 0.18 2.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.62 1c4w h ILE 123 CO -0.02 0.60 -0.12 -0.26 0.00 0.00 0.00 178.15 178.35 1c4w h PHE 124 N 0.06 -0.31 0.32 1.37 0.04 -0.61 0.35 116.94 118.16 1c4w h PHE 124 Ca -0.07 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1c4w h PHE 124 Cb 1.30 0.16 -0.00 0.00 2.20 0.00 0.00 35.95 39.61 1c4w h PHE 124 CO 0.13 -0.19 -0.18 1.49 -0.60 0.00 0.00 178.31 178.96 1c4w h GLU 125 N -0.14 -0.46 -0.83 1.51 4.57 -1.39 2.35 114.58 120.20 1c4w h GLU 125 Ca 0.09 0.03 0.18 0.00 -1.18 0.00 0.00 59.36 58.48 1c4w h GLU 125 Cb 0.28 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.91 1c4w h GLU 125 CO -0.23 -0.30 0.55 -0.22 -1.18 0.00 0.00 179.01 177.63 1c4w h LYS 126 N -0.47 0.41 -0.65 1.92 3.64 -1.04 0.39 116.57 120.77 1c4w h LYS 126 Ca -0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1c4w h LYS 126 Cb 0.38 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1c4w h LYS 126 CO 0.05 0.27 0.00 1.28 -2.27 0.00 0.00 179.45 178.78 1c4w n LEU 127 N -4.50 4.41 -4.31 5.20 4.32 0.09 -4.93 117.00 117.28 1c4w n LEU 127 Ca 0.17 -2.30 -0.32 0.00 -0.02 0.00 0.00 56.01 53.54 1c4w n LEU 127 Cb 0.61 -0.53 -0.09 0.00 -1.62 0.00 0.00 43.42 41.79 1c4w n LEU 127 CO 0.32 0.86 -0.41 0.61 -1.22 0.00 0.00 177.39 177.55 1c4w n GLY 128 N 1.21 -0.17 0.79 -0.72 0.00 0.14 -5.01 105.19 101.44 1c4w n GLY 128 Ca 0.25 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.56 1c4w n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35