#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m h MET 2 N 0.00 0.00 -0.88 -1.46 2.07 -2.06 -0.13 114.93 112.46 3i1m h MET 2 Ca 0.00 0.00 0.22 0.00 -2.07 0.00 0.00 59.70 57.85 3i1m h MET 2 Cb 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 31.60 29.60 3i1m h MET 2 CO 0.00 0.00 0.35 1.96 1.07 0.00 0.00 176.91 180.29 3i1m h GLN 3 N 0.00 0.34 -3.38 1.72 4.20 -2.07 -3.22 115.11 112.70 3i1m h GLN 3 Ca 0.58 -0.02 -0.62 0.00 0.06 0.00 0.00 58.65 58.65 3i1m h GLN 3 Cb 2.57 -0.08 -0.40 0.00 0.30 0.00 0.00 27.48 29.87 3i1m h GLN 3 CO -0.01 0.23 -0.71 0.34 -0.67 0.00 0.00 178.83 178.01 3i1m s ASP 4 N -5.16 4.00 0.28 1.46 3.68 -0.06 -4.96 116.67 115.91 3i1m s ASP 4 Ca -0.12 -2.49 0.01 0.00 2.13 0.00 0.00 52.55 52.08 3i1m s ASP 4 Cb 0.25 -1.22 0.39 0.00 -1.45 0.00 0.00 42.92 40.90 3i1m s ASP 4 CO 0.78 -0.30 1.74 1.55 0.13 0.00 0.00 175.17 179.07 3i1m h PRO 5 N 7.01 0.61 -0.60 4.34 0.13 -1.73 -3.14 132.00 138.62 3i1m h PRO 5 Ca -0.05 -0.20 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 3i1m h PRO 5 Cb 0.95 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 3i1m h PRO 5 CO 0.53 0.73 0.21 0.82 -0.23 0.00 0.00 178.00 180.06 3i1m h ILE 6 N 0.55 1.22 0.00 -3.56 1.08 -1.93 0.22 117.51 115.10 3i1m h ILE 6 Ca 0.09 -0.75 -0.06 0.00 -0.39 0.00 0.00 64.86 63.76 3i1m h ILE 6 Cb 0.57 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 3i1m h ILE 6 CO 0.04 0.29 -0.28 0.00 -0.69 0.00 0.00 178.15 177.51 3i1m h ALA 7 N 1.35 0.92 0.35 1.87 0.00 -1.95 -2.26 119.26 119.54 3i1m h ALA 7 Ca 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3i1m h ALA 7 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3i1m h ALA 7 CO -0.01 0.35 -0.17 0.22 0.00 0.00 0.00 179.25 179.64 3i1m h ASP 8 N 0.00 -0.40 -0.51 0.00 3.58 -0.97 0.41 116.42 118.53 3i1m h ASP 8 Ca -0.00 -0.09 0.10 0.00 0.42 0.00 0.00 57.03 57.45 3i1m h ASP 8 Cb 0.94 0.10 -0.08 0.00 1.72 0.00 0.00 39.33 42.01 3i1m h ASP 8 CO 0.04 -0.14 0.00 -0.03 -2.88 0.00 0.00 179.24 176.23 3i1m h MET 9 N -0.65 0.12 0.27 0.28 4.05 -1.09 0.82 114.93 118.72 3i1m h MET 9 Ca -0.05 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.37 3i1m h MET 9 Cb 0.47 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 3i1m h MET 9 CO 0.08 0.08 -0.39 -0.07 0.23 0.00 0.00 176.91 176.84 3i1m h LEU 10 N 0.12 -1.08 -1.13 3.39 3.38 -1.29 -1.39 115.31 117.31 3i1m h LEU 10 Ca 0.26 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 3i1m h LEU 10 Cb 0.39 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3i1m h LEU 10 CO -0.43 -0.50 -0.27 0.00 0.09 0.00 0.00 178.44 177.33 3i1m h THR 11 N -0.72 1.25 -0.33 0.22 1.03 -0.28 -0.52 112.91 113.57 3i1m h THR 11 Ca -0.01 -1.18 -0.09 0.00 -0.01 0.00 0.00 66.41 65.12 3i1m h THR 11 Cb 0.68 1.44 -0.02 0.00 -1.07 0.00 0.00 68.15 69.18 3i1m h THR 11 CO -0.13 0.36 -0.17 -0.09 -0.01 0.00 0.00 175.52 175.48 3i1m h ARG 12 N 0.25 0.59 0.26 0.00 2.43 0.98 0.27 114.38 119.17 3i1m h ARG 12 Ca 0.04 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 3i1m h ARG 12 Cb 0.61 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3i1m h ARG 12 CO 0.04 0.74 -0.13 0.82 -1.51 0.00 0.00 179.97 179.94 3i1m h ILE 13 N 0.53 0.76 -0.26 1.20 2.04 -0.82 -2.29 117.51 118.66 3i1m h ILE 13 Ca 0.09 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.32 3i1m h ILE 13 Cb 0.60 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 3i1m h ILE 13 CO 0.04 0.13 -0.39 -0.09 0.00 0.00 0.00 178.15 177.84 3i1m h ARG 14 N -0.73 -0.28 0.00 2.37 2.43 -0.35 0.36 114.38 118.18 3i1m h ARG 14 Ca -0.04 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3i1m h ARG 14 Cb 0.49 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3i1m h ARG 14 CO 0.06 -0.19 0.00 -0.91 -1.51 0.00 0.00 179.97 177.42 3i1m h ASN 15 N -0.29 0.00 0.08 -3.80 4.21 -0.58 -0.24 115.58 114.95 3i1m h ASN 15 Ca 0.05 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 3i1m h ASN 15 Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 3i1m h ASN 15 CO -0.41 0.00 -0.04 1.23 -1.29 0.00 0.00 177.43 176.93 3i1m h GLY 16 N 1.00 -0.11 -0.12 2.83 0.00 -0.47 -2.30 103.07 103.90 3i1m h GLY 16 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.43 3i1m h GLY 16 CO 0.00 -0.04 -0.41 1.46 0.00 0.00 0.00 176.54 177.55 3i1m h GLN 17 N -0.96 -0.38 -0.98 4.80 1.08 -0.73 0.11 115.11 118.06 3i1m h GLN 17 Ca -0.01 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.34 3i1m h GLN 17 Cb 0.48 0.09 -0.14 0.00 -0.05 0.00 0.00 27.48 27.85 3i1m h GLN 17 CO 0.02 -0.25 -0.46 0.00 -0.95 0.00 0.00 178.83 177.19 3i1m h ALA 18 N 0.33 -0.10 -0.10 3.87 0.00 -1.10 0.58 119.26 122.74 3i1m h ALA 18 Ca 0.11 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 3i1m h ALA 18 Cb 0.59 1.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 3i1m h ALA 18 CO -0.48 -0.75 0.05 0.00 0.00 0.00 0.00 179.25 178.07 3i1m n ALA 19 N -3.38 2.78 -2.65 0.00 0.00 -0.83 -4.81 120.51 111.64 3i1m n ALA 19 Ca 0.07 -0.28 -0.06 0.00 0.00 0.00 0.00 53.44 53.17 3i1m n ALA 19 Cb 0.35 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 3i1m n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1m n ASN 20 N 0.25 -1.76 -4.71 0.00 5.03 0.20 -4.89 115.26 109.38 3i1m n ASN 20 Ca 0.06 0.30 -0.42 0.00 0.87 0.00 0.00 54.58 55.38 3i1m n ASN 20 Cb 0.55 -1.60 -0.03 0.00 -1.02 0.00 0.00 39.78 37.68 3i1m n ASN 20 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3i1m s LYS 21 N -5.18 4.53 0.00 3.52 2.36 0.34 -4.93 119.74 120.38 3i1m s LYS 21 Ca 0.07 1.55 0.26 0.00 -2.55 0.00 0.00 55.97 55.29 3i1m s LYS 21 Cb -0.04 -3.41 0.57 0.00 -1.05 0.00 0.00 37.83 33.90 3i1m s LYS 21 CO 0.08 -0.09 1.47 0.00 1.55 0.00 0.00 175.35 178.36 3i1m n ALA 22 N 3.74 2.58 -2.82 3.13 0.00 -1.26 -4.36 120.51 121.52 3i1m n ALA 22 Ca 0.06 -0.57 -0.18 0.00 0.00 0.00 0.00 53.44 52.75 3i1m n ALA 22 Cb 0.49 -0.97 -0.15 0.00 0.00 0.00 0.00 19.45 18.82 3i1m n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1m s ALA 23 N -2.04 0.64 -0.11 0.00 0.00 -1.26 -3.07 121.76 115.93 3i1m s ALA 23 Ca 0.32 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 3i1m s ALA 23 Cb 0.20 -0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.17 3i1m s ALA 23 CO 0.33 0.14 0.06 0.08 0.00 0.00 0.00 175.76 176.37 3i1m s VAL 24 N -0.04 0.03 0.38 0.00 1.01 -0.65 -4.99 120.40 116.13 3i1m s VAL 24 Ca 0.01 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.14 3i1m s VAL 24 Cb -0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 3i1m s VAL 24 CO -0.00 -0.02 0.32 0.42 0.00 0.00 0.00 175.10 175.82 3i1m s THR 25 N 2.10 2.97 0.00 3.92 -4.23 -1.26 0.06 115.64 119.20 3i1m s THR 25 Ca 0.03 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 3i1m s THR 25 Cb -0.14 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.64 3i1m s THR 25 CO -0.06 -0.08 0.00 1.15 -0.54 0.00 0.00 174.62 175.09 3i1m n MET 26 N -1.43 0.00 -1.67 3.99 0.00 -0.74 -4.98 117.12 112.29 3i1m n MET 26 Ca 0.01 0.00 -0.56 0.00 0.00 0.00 0.00 57.70 57.14 3i1m n MET 26 Cb 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.76 3i1m n MET 26 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3i1m n PRO 27 N -0.50 1.06 -2.26 3.17 -0.02 -1.26 -0.54 135.00 134.65 3i1m n PRO 27 Ca 0.00 0.39 -0.29 0.00 -2.02 0.00 0.00 63.50 61.57 3i1m n PRO 27 Cb 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3i1m n PRO 27 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i1m s SER 28 N 2.46 6.26 -0.03 2.55 0.15 0.12 -4.69 113.70 120.53 3i1m s SER 28 Ca 0.94 1.20 -0.11 0.00 0.70 0.00 0.00 55.95 58.68 3i1m s SER 28 Cb -1.06 -2.37 0.02 0.00 -1.71 0.00 0.00 66.02 60.90 3i1m s SER 28 CO 0.60 -0.72 0.24 -0.55 1.20 0.00 0.00 173.24 174.02 3i1m s SER 29 N -4.08 -0.14 0.22 5.45 0.15 -1.26 -4.86 113.70 109.17 3i1m s SER 29 Ca 0.52 0.08 -0.09 0.00 0.70 0.00 0.00 55.95 57.17 3i1m s SER 29 Cb -0.11 0.33 0.34 0.00 -1.71 0.00 0.00 66.02 64.87 3i1m s SER 29 CO 0.49 -0.35 1.70 0.11 1.20 0.00 0.00 173.24 176.39 3i1m h LYS 30 N 4.40 0.25 0.04 5.44 1.79 -2.00 -0.39 116.57 126.10 3i1m h LYS 30 Ca -0.29 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.17 3i1m h LYS 30 Cb 1.19 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 3i1m h LYS 30 CO 0.39 0.17 -0.08 1.25 -1.08 0.00 0.00 179.45 180.09 3i1m h LEU 31 N 0.26 -0.22 -0.48 2.94 5.85 -2.00 -2.24 115.31 119.42 3i1m h LEU 31 Ca 0.34 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.14 3i1m h LEU 31 Cb 0.53 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 3i1m h LEU 31 CO -0.44 -0.12 -0.42 0.11 -0.34 0.00 0.00 178.44 177.23 3i1m h LYS 32 N -0.16 -0.17 -0.89 1.25 1.57 -1.51 -0.63 116.57 116.03 3i1m h LYS 32 Ca 0.02 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.94 3i1m h LYS 32 Cb 0.18 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 32.39 3i1m h LYS 32 CO -0.05 -0.11 -0.42 0.28 -0.57 0.00 0.00 179.45 178.57 3i1m h VAL 33 N -0.17 0.03 -0.61 0.50 2.07 -1.04 0.74 116.25 117.77 3i1m h VAL 33 Ca 0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.72 3i1m h VAL 33 Cb 0.38 0.03 -0.12 0.00 -1.52 0.00 0.00 31.29 30.07 3i1m h VAL 33 CO -0.54 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 176.89 3i1m h ALA 34 N 1.07 0.39 0.51 1.67 0.00 -0.53 -0.47 119.26 121.90 3i1m h ALA 34 Ca 0.28 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 3i1m h ALA 34 Cb 0.56 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3i1m h ALA 34 CO -0.90 -0.44 -0.35 0.82 0.00 0.00 0.00 179.25 178.39 3i1m h ILE 35 N -0.01 0.00 -1.00 0.00 2.04 -0.13 -2.69 117.51 115.72 3i1m h ILE 35 Ca 0.29 0.00 0.39 0.00 1.00 0.00 0.00 64.86 66.54 3i1m h ILE 35 Cb 0.45 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.36 3i1m h ILE 35 CO -0.63 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.01 3i1m h ALA 36 N -1.35 2.04 -0.22 1.87 0.00 -0.61 0.46 119.26 121.45 3i1m h ALA 36 Ca -0.07 0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3i1m h ALA 36 Cb 0.66 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3i1m h ALA 36 CO 0.05 -0.87 -0.23 -0.97 0.00 0.00 0.00 179.25 177.23 3i1m h ASN 37 N 0.05 -0.74 -0.07 0.00 -0.73 -0.76 0.63 115.58 113.96 3i1m h ASN 37 Ca 0.81 0.13 0.00 0.00 1.87 0.00 0.00 56.30 59.11 3i1m h ASN 37 Cb 2.06 0.35 -0.00 0.00 0.27 0.00 0.00 38.32 41.00 3i1m h ASN 37 CO -0.76 -0.27 0.04 0.58 -0.37 0.00 0.00 177.43 176.65 3i1m h VAL 38 N -0.25 1.03 -0.81 2.57 2.07 -0.00 -0.82 116.25 120.04 3i1m h VAL 38 Ca 0.13 -0.08 0.19 0.00 0.82 0.00 0.00 66.70 67.76 3i1m h VAL 38 Cb 0.45 0.97 -0.13 0.00 -1.52 0.00 0.00 31.29 31.06 3i1m h VAL 38 CO -0.36 0.03 0.19 -0.07 0.02 0.00 0.00 177.57 177.37 3i1m h LEU 39 N 0.07 -0.03 0.26 2.57 3.38 -0.89 -0.69 115.31 119.98 3i1m h LEU 39 Ca 0.02 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3i1m h LEU 39 Cb 0.01 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3i1m h LEU 39 CO -0.00 -0.10 -0.12 0.50 0.09 0.00 0.00 178.44 178.80 3i1m h LYS 40 N 0.23 -0.34 -0.86 1.13 3.64 -0.30 0.00 116.57 120.08 3i1m h LYS 40 Ca 0.48 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 3i1m h LYS 40 Cb 0.88 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3i1m h LYS 40 CO -0.59 -0.22 0.00 -1.91 -2.27 0.00 0.00 179.45 174.46 3i1m n GLU 41 N -3.08 0.72 0.00 1.90 4.07 -0.37 0.25 120.64 124.13 3i1m n GLU 41 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 3i1m n GLU 41 Cb 0.14 -1.30 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 3i1m n GLU 41 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3i1m n GLU 42 N 0.27 0.21 -0.02 5.31 -0.58 -0.29 -5.00 120.64 120.53 3i1m n GLU 42 Ca 0.00 -0.48 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 3i1m n GLU 42 Cb 0.23 -0.72 0.00 0.00 -0.57 0.00 0.00 31.44 30.38 3i1m n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i1m n GLY 43 N -0.08 1.10 0.26 0.62 0.00 0.14 -4.92 105.19 102.31 3i1m n GLY 43 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 3i1m n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i1m h PHE 44 N 0.00 0.00 -4.11 1.61 0.04 -1.19 -3.44 116.94 109.86 3i1m h PHE 44 Ca 0.00 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 3i1m h PHE 44 Cb 0.00 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.00 3i1m h PHE 44 CO 0.00 0.00 -0.60 0.96 -0.60 0.00 0.00 178.31 178.07 3i1m s ILE 45 N -3.62 0.19 0.06 -0.55 -4.36 -1.18 -4.25 121.20 107.50 3i1m s ILE 45 Ca 0.02 -1.60 -0.21 0.00 -0.26 0.00 0.00 60.65 58.60 3i1m s ILE 45 Cb 0.09 -1.40 -0.12 0.00 1.25 0.00 0.00 42.46 42.28 3i1m s ILE 45 CO 0.53 -0.88 1.48 -0.08 0.24 0.00 0.00 174.94 176.23 3i1m h GLU 46 N 3.14 0.30 -1.30 0.37 4.81 -1.34 -3.40 114.58 117.15 3i1m h GLU 46 Ca -0.34 -0.10 0.31 0.00 -0.13 0.00 0.00 59.36 59.10 3i1m h GLU 46 Cb 1.16 -0.02 -0.17 0.00 0.63 0.00 0.00 28.75 30.35 3i1m h GLU 46 CO 0.62 0.53 0.88 0.16 -0.73 0.00 0.00 179.01 180.47 3i1m s ASP 47 N -5.82 -0.07 0.34 1.04 -4.77 -1.25 -4.96 116.67 101.19 3i1m s ASP 47 Ca -0.14 -0.04 0.00 0.00 -3.30 0.00 0.00 52.55 49.07 3i1m s ASP 47 Cb 0.06 0.10 0.00 0.00 -1.09 0.00 0.00 42.92 41.99 3i1m s ASP 47 CO 0.72 -0.17 0.00 2.22 0.70 0.00 0.00 175.17 178.64 3i1m n PHE 48 N -0.24 -1.35 0.00 2.11 -1.74 -1.26 -1.84 117.46 113.14 3i1m n PHE 48 Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.87 3i1m n PHE 48 Cb 0.60 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.60 3i1m n PHE 48 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 3i1m n LYS 49 N -0.51 0.00 -3.76 3.97 5.02 -0.53 -4.70 118.16 117.65 3i1m n LYS 49 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 3i1m n LYS 49 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 3i1m n LYS 49 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i1m s VAL 50 N 0.00 3.45 -0.91 -0.18 0.11 -1.26 0.11 120.40 121.72 3i1m s VAL 50 Ca 0.00 -2.55 0.00 0.00 -2.93 0.00 0.00 61.98 56.50 3i1m s VAL 50 Cb 0.00 -3.31 0.33 0.00 -1.53 0.00 0.00 36.38 31.87 3i1m s VAL 50 CO 0.00 -0.79 1.68 -0.62 -3.33 0.00 0.00 175.10 172.05 3i1m n GLU 51 N 3.99 4.67 -4.07 1.54 4.71 -0.89 -4.93 120.64 125.66 3i1m n GLU 51 Ca 0.03 -4.55 -0.20 0.00 -0.01 0.00 0.00 57.16 52.43 3i1m n GLU 51 Cb 0.39 -2.40 -0.07 0.00 -1.01 0.00 0.00 31.44 28.36 3i1m n GLU 51 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i1m n GLY 52 N -0.17 3.20 0.53 0.62 0.00 -1.26 -4.48 105.19 103.63 3i1m n GLY 52 Ca 0.45 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3i1m n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1m n ASP 53 N -1.70 0.00 -0.01 1.61 8.00 -1.26 -4.88 116.55 118.32 3i1m n ASP 53 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 3i1m n ASP 53 Cb 0.54 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.52 3i1m n ASP 53 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3i1m n THR 54 N -1.52 0.00 -3.18 -3.53 5.66 -1.26 -4.57 114.28 105.88 3i1m n THR 54 Ca 0.00 -0.32 -0.25 0.00 -3.05 0.00 0.00 64.05 60.43 3i1m n THR 54 Cb 0.00 0.34 -0.06 0.00 -1.55 0.00 0.00 70.33 69.06 3i1m n THR 54 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3i1m n LYS 55 N -1.92 2.34 -1.53 1.09 5.02 -1.26 -5.09 118.16 116.81 3i1m n LYS 55 Ca -0.02 -4.38 -0.57 0.00 -2.02 0.00 0.00 58.31 51.32 3i1m n LYS 55 Cb 0.40 -2.04 -0.07 0.00 -0.02 0.00 0.00 35.03 33.30 3i1m n LYS 55 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i1m n PRO 56 N 0.45 0.34 -3.99 1.97 -0.02 -1.26 -4.83 135.00 127.65 3i1m n PRO 56 Ca 0.28 0.12 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 3i1m n PRO 56 Cb 0.45 -1.66 -0.14 0.00 -0.02 0.00 0.00 33.50 32.12 3i1m n PRO 56 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3i1m s GLU 57 N 0.24 2.17 0.16 -0.52 2.56 -1.26 -0.70 118.70 121.35 3i1m s GLU 57 Ca 0.90 -1.43 -0.30 0.00 0.00 0.00 0.00 54.97 54.13 3i1m s GLU 57 Cb -1.18 -3.08 -0.07 0.00 2.00 0.00 0.00 34.13 31.80 3i1m s GLU 57 CO 0.55 -0.68 1.09 -1.17 -0.56 0.00 0.00 175.26 174.50 3i1m s LEU 58 N 1.12 4.48 -0.06 2.70 1.98 0.30 -2.10 118.68 127.10 3i1m s LEU 58 Ca -0.04 2.05 0.03 0.00 -2.89 0.00 0.00 54.13 53.29 3i1m s LEU 58 Cb -0.20 -3.60 0.01 0.00 0.66 0.00 0.00 46.19 43.06 3i1m s LEU 58 CO -0.04 -0.23 -0.14 -0.70 -1.89 0.00 0.00 176.35 173.36 3i1m s GLU 59 N -0.22 1.69 -0.08 1.98 -6.30 0.31 -1.79 118.70 114.30 3i1m s GLU 59 Ca 0.50 -0.47 0.03 0.00 -2.50 0.00 0.00 54.97 52.54 3i1m s GLU 59 Cb -0.29 -1.42 -0.01 0.00 0.00 0.00 0.00 34.13 32.41 3i1m s GLU 59 CO 0.34 0.09 -0.19 -0.51 0.02 0.00 0.00 175.26 175.02 3i1m s LEU 60 N 0.45 2.43 -0.37 2.70 1.43 0.11 -1.45 118.68 123.97 3i1m s LEU 60 Ca -0.11 -0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 3i1m s LEU 60 Cb -0.14 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 3i1m s LEU 60 CO 0.03 0.24 0.31 -0.89 0.23 0.00 0.00 176.35 176.27 3i1m s THR 61 N -0.10 5.22 0.76 5.49 2.01 -0.77 -1.64 115.64 126.61 3i1m s THR 61 Ca -0.04 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 3i1m s THR 61 Cb -0.14 -3.84 0.05 0.00 0.01 0.00 0.00 72.50 68.58 3i1m s THR 61 CO 0.04 -0.16 1.09 -0.76 -0.69 0.00 0.00 174.62 174.14 3i1m s LEU 62 N 1.84 2.75 0.05 4.42 2.01 -1.18 -1.10 118.68 127.47 3i1m s LEU 62 Ca 0.08 1.32 0.09 0.00 0.01 0.00 0.00 54.13 55.62 3i1m s LEU 62 Cb -0.18 -4.01 -0.03 0.00 0.01 0.00 0.00 46.19 41.98 3i1m s LEU 62 CO 0.11 -1.75 -0.24 -0.54 1.01 0.00 0.00 176.35 174.94 3i1m s LYS 63 N -5.18 1.60 0.01 1.70 1.02 -1.26 -4.49 119.74 113.14 3i1m s LYS 63 Ca 0.60 -1.06 0.02 0.00 0.02 0.00 0.00 55.97 55.55 3i1m s LYS 63 Cb -0.14 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 3i1m s LYS 63 CO 0.54 0.45 -0.07 0.71 -0.92 0.00 0.00 175.35 176.06 3i1m s TYR 64 N -0.82 0.63 0.00 3.18 1.51 -1.26 -2.14 117.35 118.45 3i1m s TYR 64 Ca 0.10 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 3i1m s TYR 64 Cb -0.10 -0.40 0.00 0.00 -0.11 0.00 0.00 41.96 41.36 3i1m s TYR 64 CO 0.02 -0.02 0.00 0.34 -1.11 0.00 0.00 175.55 174.78 3i1m n PHE 65 N 2.47 0.00 0.00 2.71 7.35 -0.46 -4.92 117.46 124.61 3i1m n PHE 65 Ca -0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 3i1m n PHE 65 Cb 0.57 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.40 3i1m n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3i1m n GLN 66 N 0.00 1.29 0.00 -4.13 3.00 -1.26 -4.70 117.38 111.58 3i1m n GLN 66 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3i1m n GLN 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3i1m n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i1m n GLY 67 N 3.92 1.49 3.50 1.08 0.00 -1.26 -4.81 105.19 109.11 3i1m n GLY 67 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3i1m n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1m s LYS 68 N 0.13 1.40 0.94 1.61 1.02 -1.26 -5.16 119.74 118.41 3i1m s LYS 68 Ca 0.00 -1.14 -0.12 0.00 0.02 0.00 0.00 55.97 54.73 3i1m s LYS 68 Cb 0.00 0.46 0.15 0.00 -0.52 0.00 0.00 37.83 37.92 3i1m s LYS 68 CO 0.00 -0.57 1.13 0.00 -0.92 0.00 0.00 175.35 174.99 3i1m s ALA 69 N -3.97 1.56 -0.04 5.17 0.00 -1.26 -1.36 121.76 121.86 3i1m s ALA 69 Ca 0.18 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 51.69 3i1m s ALA 69 Cb 0.00 -3.04 -0.24 0.00 0.00 0.00 0.00 23.12 19.84 3i1m s ALA 69 CO 0.04 -2.45 0.68 0.28 0.00 0.00 0.00 175.76 174.31 3i1m h VAL 70 N -1.62 0.91 -1.17 0.00 2.07 -1.76 -3.42 116.25 111.26 3i1m h VAL 70 Ca -0.51 -2.70 -0.67 0.00 0.82 0.00 0.00 66.70 63.63 3i1m h VAL 70 Cb 1.33 2.51 -0.10 0.00 -1.52 0.00 0.00 31.29 33.51 3i1m h VAL 70 CO 0.60 0.64 1.86 -0.69 0.02 0.00 0.00 177.57 180.01 3i1m s VAL 71 N -2.60 4.23 0.22 2.57 1.01 -1.26 -4.84 120.40 119.72 3i1m s VAL 71 Ca -0.08 -1.73 -0.14 0.00 0.00 0.00 0.00 61.98 60.03 3i1m s VAL 71 Cb 0.08 -5.11 0.25 0.00 0.00 0.00 0.00 36.38 31.60 3i1m s VAL 71 CO 0.82 -1.93 1.60 -0.08 0.00 0.00 0.00 175.10 175.51 3i1m h GLU 72 N 8.10 -0.04 -3.18 2.72 4.57 -1.08 -3.43 114.58 122.23 3i1m h GLU 72 Ca 0.36 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.48 3i1m h GLU 72 Cb 0.91 0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 29.37 3i1m h GLU 72 CO 1.41 -0.03 -0.05 -1.54 -1.18 0.00 0.00 179.01 177.62 3i1m s SER 73 N -5.23 -0.29 -0.34 1.04 1.04 -1.16 -5.00 113.70 103.77 3i1m s SER 73 Ca -0.14 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.16 3i1m s SER 73 Cb 0.20 0.47 0.15 0.00 0.10 0.00 0.00 66.02 66.94 3i1m s SER 73 CO 0.73 -0.79 0.38 -0.51 0.98 0.00 0.00 173.24 174.03 3i1m s ILE 74 N -3.24 -0.45 0.17 -1.02 1.10 -1.26 -1.83 121.20 114.67 3i1m s ILE 74 Ca -0.01 -0.67 0.04 0.00 -0.51 0.00 0.00 60.65 59.51 3i1m s ILE 74 Cb 0.01 -0.78 -0.04 0.00 0.15 0.00 0.00 42.46 41.80 3i1m s ILE 74 CO -0.08 -0.46 0.24 -1.10 -2.11 0.00 0.00 174.94 171.43 3i1m s GLN 75 N 1.91 3.23 -0.18 3.50 -1.52 -1.04 -4.76 119.66 120.80 3i1m s GLN 75 Ca 0.14 -0.74 -0.08 0.00 -1.95 0.00 0.00 55.36 52.72 3i1m s GLN 75 Cb -0.14 -2.83 -0.04 0.00 -0.22 0.00 0.00 33.01 29.78 3i1m s GLN 75 CO -0.16 0.49 0.09 0.50 -0.25 0.00 0.00 175.29 175.95 3i1m s ARG 76 N -3.34 3.98 0.00 2.91 3.00 -1.26 -1.34 118.95 122.90 3i1m s ARG 76 Ca 0.33 -0.29 0.00 0.00 -1.00 0.00 0.00 55.73 54.78 3i1m s ARG 76 Cb -0.10 -3.27 0.00 0.00 0.00 0.00 0.00 34.95 31.58 3i1m s ARG 76 CO 0.27 0.33 0.00 0.28 0.00 0.00 0.00 175.30 176.18 3i1m n VAL 77 N 3.37 0.00 -1.57 7.11 0.31 -1.12 -4.90 118.33 121.53 3i1m n VAL 77 Ca -0.17 0.00 -0.58 0.00 -0.01 0.00 0.00 64.34 63.58 3i1m n VAL 77 Cb 0.52 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.38 3i1m n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3i1m n SER 78 N 0.00 0.74 -4.22 4.52 2.88 -1.12 -4.93 113.62 111.49 3i1m n SER 78 Ca 0.00 1.15 -0.16 0.00 -1.33 0.00 0.00 58.87 58.52 3i1m n SER 78 Cb 0.00 -1.00 -0.10 0.00 -0.75 0.00 0.00 64.21 62.36 3i1m n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1m s ARG 79 N 0.78 1.43 0.53 -1.46 1.70 -0.76 -4.85 118.95 116.32 3i1m s ARG 79 Ca 0.92 -1.78 0.30 0.00 -0.47 0.00 0.00 55.73 54.70 3i1m s ARG 79 Cb -1.21 -0.15 1.48 0.00 -0.57 0.00 0.00 34.95 34.50 3i1m s ARG 79 CO 0.58 -0.35 2.05 -1.00 -1.08 0.00 0.00 175.30 175.51 3i1m h PRO 80 N 2.37 0.00 0.00 3.89 0.13 -1.92 -0.07 132.00 136.39 3i1m h PRO 80 Ca -0.37 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.68 3i1m h PRO 80 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3i1m h PRO 80 CO 0.57 0.10 -0.39 0.78 -0.23 0.00 0.00 178.00 178.83 3i1m h GLY 81 N 1.18 0.00 -5.58 1.56 0.00 -1.98 -3.42 103.07 94.84 3i1m h GLY 81 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3i1m h GLY 81 CO 0.01 0.00 -0.38 -2.27 0.00 0.00 0.00 176.54 173.91 3i1m s LEU 82 N -6.63 -1.22 0.45 3.11 0.20 -0.14 -5.15 118.68 109.30 3i1m s LEU 82 Ca 0.03 -0.85 -0.24 0.00 0.69 0.00 0.00 54.13 53.76 3i1m s LEU 82 Cb 0.09 1.57 -0.07 0.00 -0.43 0.00 0.00 46.19 47.34 3i1m s LEU 82 CO 0.70 -0.11 1.19 -0.13 -0.29 0.00 0.00 176.35 177.72 3i1m s ARG 83 N 1.60 3.79 -0.18 1.98 1.81 -0.61 -1.83 118.95 125.52 3i1m s ARG 83 Ca 0.19 1.85 -0.02 0.00 -1.72 0.00 0.00 55.73 56.03 3i1m s ARG 83 Cb -0.01 -2.48 0.05 0.00 -0.45 0.00 0.00 34.95 32.07 3i1m s ARG 83 CO -0.08 -0.55 0.01 0.42 -0.68 0.00 0.00 175.30 174.42 3i1m s ILE 84 N -1.48 0.71 -0.12 1.52 -1.09 -1.26 -4.88 121.20 114.61 3i1m s ILE 84 Ca 0.62 -0.55 0.02 0.00 -2.23 0.00 0.00 60.65 58.51 3i1m s ILE 84 Cb -0.31 -1.09 -0.00 0.00 -1.58 0.00 0.00 42.46 39.48 3i1m s ILE 84 CO 0.37 -0.08 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.50 3i1m s TYR 85 N 1.79 2.67 0.22 3.97 1.51 -1.26 -2.46 117.35 123.79 3i1m s TYR 85 Ca -0.00 -0.94 0.11 0.00 -1.01 0.00 0.00 57.07 55.23 3i1m s TYR 85 Cb -0.16 -1.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 3i1m s TYR 85 CO -0.07 -0.37 -0.20 0.15 -1.11 0.00 0.00 175.55 173.94 3i1m s LYS 86 N 0.43 1.66 -0.09 -0.62 3.01 -0.56 -5.00 119.74 118.56 3i1m s LYS 86 Ca -0.14 -1.58 -0.03 0.00 -1.01 0.00 0.00 55.97 53.21 3i1m s LYS 86 Cb -0.17 -1.87 -0.01 0.00 -1.01 0.00 0.00 37.83 34.77 3i1m s LYS 86 CO 0.06 0.38 -0.06 0.00 0.51 0.00 0.00 175.35 176.24 3i1m h ARG 87 N 2.81 0.00 0.00 1.68 3.08 -1.86 -2.70 114.38 117.39 3i1m h ARG 87 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3i1m h ARG 87 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3i1m h ARG 87 CO 0.53 0.00 0.00 0.36 -1.07 0.00 0.00 179.97 179.79 3i1m n LYS 88 N -3.96 0.00 0.07 0.04 2.85 -1.26 -2.78 118.16 113.12 3i1m n LYS 88 Ca -0.02 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.23 3i1m n LYS 88 Cb 0.09 0.00 0.29 0.00 -0.65 0.00 0.00 35.03 34.76 3i1m n LYS 88 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3i1m h ASP 89 N 0.00 0.33 1.23 -5.58 5.19 -1.95 -2.46 116.42 113.18 3i1m h ASP 89 Ca 0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 3i1m h ASP 89 Cb 0.00 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.42 3i1m h ASP 89 CO 0.00 0.55 0.00 1.21 -3.12 0.00 0.00 179.24 177.88 3i1m n GLU 90 N -4.18 0.23 -1.68 3.56 2.13 -1.26 -4.86 120.64 114.58 3i1m n GLU 90 Ca -0.00 0.27 -0.51 0.00 0.66 0.00 0.00 57.16 57.58 3i1m n GLU 90 Cb 0.35 -1.81 -0.05 0.00 0.27 0.00 0.00 31.44 30.19 3i1m n GLU 90 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i1m n LEU 91 N -2.23 2.93 -4.68 4.31 4.77 -0.93 -4.78 117.00 116.39 3i1m n LEU 91 Ca 0.05 1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 56.64 3i1m n LEU 91 Cb 0.37 -1.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 3i1m n LEU 91 CO 0.27 -0.30 0.68 -2.16 -1.33 0.00 0.00 177.39 174.55 3i1m s PRO 92 N 2.97 4.34 -0.17 3.23 0.04 -1.26 -5.00 135.00 139.14 3i1m s PRO 92 Ca 0.91 1.15 -0.07 0.00 0.04 0.00 0.00 61.00 63.03 3i1m s PRO 92 Cb -0.81 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 3i1m s PRO 92 CO 0.52 -0.33 0.05 -1.59 0.04 0.00 0.00 177.00 175.69 3i1m s LYS 93 N 2.14 3.91 0.34 4.56 -2.85 -1.26 -4.72 119.74 121.86 3i1m s LYS 93 Ca 0.42 -0.35 -0.11 0.00 -1.00 0.00 0.00 55.97 54.93 3i1m s LYS 93 Cb -0.17 -3.18 -0.07 0.00 -2.06 0.00 0.00 37.83 32.36 3i1m s LYS 93 CO 0.14 0.30 0.70 0.08 0.10 0.00 0.00 175.35 176.67 3i1m s VAL 94 N 0.28 4.81 -1.02 1.79 1.01 -1.26 -4.15 120.40 121.85 3i1m s VAL 94 Ca 0.03 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 3i1m s VAL 94 Cb -0.12 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.59 3i1m s VAL 94 CO 0.00 -0.35 0.05 0.23 0.00 0.00 0.00 175.10 175.03 3i1m n MET 95 N -0.87 -0.94 -0.80 2.72 2.81 -1.26 0.11 117.12 118.89 3i1m n MET 95 Ca 0.02 0.06 -0.04 0.00 -1.81 0.00 0.00 57.70 55.93 3i1m n MET 95 Cb 0.54 -2.39 -0.02 0.00 -0.71 0.00 0.00 33.22 30.64 3i1m n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i1m n ALA 96 N -3.25 -0.06 0.00 3.04 0.00 -1.26 -2.13 120.51 116.85 3i1m n ALA 96 Ca -0.18 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3i1m n ALA 96 Cb 0.43 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3i1m n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1m n GLY 97 N 0.26 4.22 3.65 0.00 0.00 0.30 -5.10 105.19 108.52 3i1m n GLY 97 Ca -0.04 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 3i1m n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1m s LEU 98 N 0.00 4.07 0.00 0.99 1.43 -0.90 -4.68 118.68 119.58 3i1m s LEU 98 Ca 0.00 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 3i1m s LEU 98 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3i1m s LEU 98 CO 0.00 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 176.42 3i1m n GLY 99 N 3.59 -0.59 3.59 -3.19 0.00 -1.26 -4.20 105.19 103.13 3i1m n GLY 99 Ca 0.13 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 3i1m n GLY 99 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i1m n ILE 100 N -0.19 0.00 -3.67 -0.61 -5.35 -0.32 -4.35 119.36 104.86 3i1m n ILE 100 Ca 0.00 -2.43 -0.29 0.00 -0.27 0.00 0.00 62.75 59.75 3i1m n ILE 100 Cb 0.00 0.64 -0.15 0.00 -1.74 0.00 0.00 39.64 38.39 3i1m n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1m s ALA 101 N -2.98 1.20 -0.01 -1.28 0.00 -1.26 -0.99 121.76 116.43 3i1m s ALA 101 Ca 0.08 -1.41 -0.31 0.00 0.00 0.00 0.00 51.96 50.32 3i1m s ALA 101 Cb 0.00 -1.51 -0.10 0.00 0.00 0.00 0.00 23.12 21.51 3i1m s ALA 101 CO 0.06 -1.62 1.96 0.28 0.00 0.00 0.00 175.76 176.44 3i1m n VAL 102 N 4.99 0.70 -4.23 0.00 0.31 -0.56 -2.00 118.33 117.54 3i1m n VAL 102 Ca -0.04 -0.14 -0.25 0.00 -0.01 0.00 0.00 64.34 63.90 3i1m n VAL 102 Cb 0.42 -2.19 -0.08 0.00 -0.91 0.00 0.00 33.84 31.09 3i1m n VAL 102 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3i1m s VAL 103 N 4.52 2.39 -0.06 2.52 -7.23 0.35 -0.80 120.40 122.09 3i1m s VAL 103 Ca 0.91 -1.79 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 3i1m s VAL 103 Cb -0.51 -2.96 0.02 0.00 0.56 0.00 0.00 36.38 33.49 3i1m s VAL 103 CO 0.45 -0.06 -0.10 -0.55 -0.31 0.00 0.00 175.10 174.54 3i1m s SER 104 N -3.84 1.55 0.34 4.85 0.15 0.13 -2.26 113.70 114.61 3i1m s SER 104 Ca 0.39 -0.25 0.04 0.00 0.70 0.00 0.00 55.95 56.83 3i1m s SER 104 Cb 0.03 -0.71 -0.06 0.00 -1.71 0.00 0.00 66.02 63.57 3i1m s SER 104 CO 0.21 0.00 0.05 0.42 1.20 0.00 0.00 173.24 175.13 3i1m s THR 105 N 0.79 1.27 0.57 6.45 -4.23 0.15 -1.52 115.64 119.11 3i1m s THR 105 Ca -0.13 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.65 3i1m s THR 105 Cb -0.15 -2.81 0.34 0.00 1.34 0.00 0.00 72.50 71.22 3i1m s THR 105 CO 0.02 0.00 2.18 0.77 -0.54 0.00 0.00 174.62 177.05 3i1m h SER 106 N 2.07 0.00 -2.30 3.99 4.64 -2.00 -2.05 113.55 117.89 3i1m h SER 106 Ca -0.41 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.18 3i1m h SER 106 Cb 1.24 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 63.01 3i1m h SER 106 CO 0.71 0.00 0.41 0.29 -0.87 0.00 0.00 176.83 177.37 3i1m n LYS 107 N -4.01 4.57 0.00 4.77 5.02 -1.26 -5.04 118.16 122.21 3i1m n LYS 107 Ca -0.01 -4.73 0.00 0.00 -2.02 0.00 0.00 58.31 51.55 3i1m n LYS 107 Cb 0.17 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 3i1m n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1m n GLY 108 N -0.01 -0.06 3.09 0.72 0.00 -0.77 -4.85 105.19 103.30 3i1m n GLY 108 Ca 0.40 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 3i1m n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1m s VAL 109 N -1.06 3.78 0.18 1.61 1.01 -1.26 0.30 120.40 124.97 3i1m s VAL 109 Ca 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 61.98 58.82 3i1m s VAL 109 Cb 0.00 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.95 3i1m s VAL 109 CO 0.00 -0.92 0.15 0.23 0.00 0.00 0.00 175.10 174.57 3i1m n MET 110 N 3.22 1.17 -2.28 2.72 2.00 -0.96 -4.87 117.12 118.12 3i1m n MET 110 Ca 0.11 -1.11 -0.26 0.00 0.00 0.00 0.00 57.70 56.43 3i1m n MET 110 Cb 0.37 0.09 0.13 0.00 0.00 0.00 0.00 33.22 33.81 3i1m n MET 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3i1m s THR 111 N -0.78 2.12 0.02 2.03 -4.23 -1.26 -0.50 115.64 113.04 3i1m s THR 111 Ca 0.12 -0.32 -0.25 0.00 -1.18 0.00 0.00 61.69 60.05 3i1m s THR 111 Cb -0.01 -2.80 -0.18 0.00 1.34 0.00 0.00 72.50 70.85 3i1m s THR 111 CO 0.07 0.00 1.36 -2.24 -0.54 0.00 0.00 174.62 173.27 3i1m h ASP 112 N -0.93 -0.17 -0.87 3.99 2.03 -1.75 -1.41 116.42 117.31 3i1m h ASP 112 Ca -0.41 -0.24 0.17 0.00 -0.73 0.00 0.00 57.03 55.82 3i1m h ASP 112 Cb 1.27 0.04 -0.16 0.00 -0.83 0.00 0.00 39.33 39.65 3i1m h ASP 112 CO 0.44 0.16 -0.25 -0.09 -1.03 0.00 0.00 179.24 178.46 3i1m h ARG 113 N -0.51 -0.01 0.00 4.15 2.43 -1.94 0.61 114.38 119.10 3i1m h ARG 113 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3i1m h ARG 113 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3i1m h ARG 113 CO 0.03 -0.01 0.00 0.00 -1.51 0.00 0.00 179.97 178.48 3i1m n ALA 114 N -3.42 -0.29 -0.31 2.80 0.00 -1.18 -2.15 120.51 115.95 3i1m n ALA 114 Ca 0.12 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.84 3i1m n ALA 114 Cb 0.43 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.40 3i1m n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1m n ALA 115 N -1.73 0.91 0.31 0.00 0.00 -0.54 0.18 120.51 119.65 3i1m n ALA 115 Ca 0.00 0.98 -0.18 0.00 0.00 0.00 0.00 53.44 54.24 3i1m n ALA 115 Cb 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 18.42 3i1m n ALA 115 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i1m h ARG 116 N 0.00 -0.97 -0.87 0.00 9.65 -0.89 -2.34 114.38 118.96 3i1m h ARG 116 Ca 0.78 0.07 0.17 0.00 -1.10 0.00 0.00 59.98 59.89 3i1m h ARG 116 Cb 2.01 0.22 -0.10 0.00 -1.39 0.00 0.00 29.97 30.71 3i1m h ARG 116 CO -0.75 -0.65 0.45 1.96 2.80 0.00 0.00 179.97 183.77 3i1m h GLN 117 N -1.01 0.57 -0.95 0.20 4.20 0.24 0.10 115.11 118.47 3i1m h GLN 117 Ca -0.07 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 3i1m h GLN 117 Cb 0.86 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.46 3i1m h GLN 117 CO -0.02 0.38 0.12 0.00 -0.67 0.00 0.00 178.83 178.63 3i1m n ALA 118 N -2.43 3.23 -3.19 3.87 0.00 -0.53 -4.89 120.51 116.58 3i1m n ALA 118 Ca 0.19 -0.75 -0.17 0.00 0.00 0.00 0.00 53.44 52.71 3i1m n ALA 118 Cb 0.50 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 3i1m n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1m n GLY 119 N 0.08 -0.47 3.37 0.00 0.00 0.36 -4.93 105.19 103.59 3i1m n GLY 119 Ca 0.14 0.04 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 3i1m n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i1m s LEU 120 N -5.93 2.02 0.33 0.99 0.05 -0.89 -5.06 118.68 110.20 3i1m s LEU 120 Ca 0.29 -1.32 0.06 0.00 0.05 0.00 0.00 54.13 53.21 3i1m s LEU 120 Cb -0.17 -0.22 -0.03 0.00 -2.05 0.00 0.00 46.19 43.72 3i1m s LEU 120 CO 0.36 -0.61 0.22 -0.83 -0.55 0.00 0.00 176.35 174.95 3i1m s GLY 121 N -3.37 2.30 0.00 -3.48 0.00 -1.12 -4.18 107.32 97.48 3i1m s GLY 121 Ca 0.34 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.23 3i1m s GLY 121 CO 0.12 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 172.28 3i1m n GLY 122 N -0.65 1.34 3.76 0.20 0.00 -1.02 -4.47 105.19 104.35 3i1m n GLY 122 Ca 0.04 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3i1m n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i1m s GLU 123 N 1.92 4.59 -0.67 1.61 2.12 -0.58 -1.50 118.70 126.19 3i1m s GLU 123 Ca 0.00 1.20 -0.15 0.00 0.36 0.00 0.00 54.97 56.37 3i1m s GLU 123 Cb 0.00 -3.31 0.17 0.00 0.26 0.00 0.00 34.13 31.24 3i1m s GLU 123 CO 0.00 0.42 0.64 0.96 -0.54 0.00 0.00 175.26 176.74 3i1m s ILE 124 N -0.62 5.34 0.24 -3.70 -4.36 -1.03 0.19 121.20 117.26 3i1m s ILE 124 Ca 0.39 -1.88 -0.04 0.00 -0.26 0.00 0.00 60.65 58.86 3i1m s ILE 124 Cb -0.23 -4.42 0.21 0.00 1.25 0.00 0.00 42.46 39.28 3i1m s ILE 124 CO 0.26 -0.97 1.76 0.40 0.24 0.00 0.00 174.94 176.63 3i1m h ILE 125 N 5.42 0.75 -1.17 8.37 5.03 -1.28 -2.97 117.51 131.66 3i1m h ILE 125 Ca -0.12 -0.19 0.34 0.00 -0.12 0.00 0.00 64.86 64.77 3i1m h ILE 125 Cb 1.07 0.14 -0.17 0.00 -3.03 0.00 0.00 36.82 34.83 3i1m h ILE 125 CO 0.93 0.10 0.94 0.00 -0.68 0.00 0.00 178.15 179.43 3i1m s TYR 127 N -2.15 3.27 -0.05 0.00 2.02 -0.45 -1.49 117.35 118.50 3i1m s TYR 127 Ca 0.13 -0.01 -0.12 0.00 -0.37 0.00 0.00 57.07 56.71 3i1m s TYR 127 Cb 0.03 -1.53 0.02 0.00 -0.40 0.00 0.00 41.96 40.08 3i1m s TYR 127 CO -0.04 0.51 0.28 0.08 -1.57 0.00 0.00 175.55 174.80 3i1m s VAL 128 N -1.87 0.04 0.00 0.71 1.01 -0.17 -2.51 120.40 117.61 3i1m s VAL 128 Ca 0.33 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3i1m s VAL 128 Cb -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.78 3i1m s VAL 128 CO 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 175.10 175.19