#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s n MET 2 N 0.00 0.32 -0.36 1.43 3.85 -1.26 -3.54 117.12 117.56 3i1s n MET 2 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 57.70 56.75 3i1s n MET 2 Cb 0.00 -1.14 0.22 0.00 -1.05 0.00 0.00 33.22 31.25 3i1s n MET 2 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 3i1s h GLN 3 N 0.62 1.03 -3.23 3.17 4.20 -2.07 -3.24 115.11 115.58 3i1s h GLN 3 Ca 0.00 -0.06 -0.65 0.00 0.06 0.00 0.00 58.65 58.00 3i1s h GLN 3 Cb 0.14 -0.23 -0.40 0.00 0.30 0.00 0.00 27.48 27.29 3i1s h GLN 3 CO 0.00 0.68 -0.49 0.34 -0.67 0.00 0.00 178.83 178.69 3i1s s ASP 4 N -5.81 4.95 0.52 1.46 2.15 -1.23 -4.94 116.67 113.76 3i1s s ASP 4 Ca -0.12 -3.56 0.18 0.00 0.43 0.00 0.00 52.55 49.48 3i1s s ASP 4 Cb 0.21 -1.70 1.29 0.00 -0.30 0.00 0.00 42.92 42.41 3i1s s ASP 4 CO 0.81 -0.16 2.10 -0.65 -0.17 0.00 0.00 175.17 177.10 3i1s h PRO 5 N 5.89 0.03 0.53 4.34 0.11 -1.87 -3.12 132.00 137.90 3i1s h PRO 5 Ca 0.08 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 3i1s h PRO 5 Cb 0.81 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.92 3i1s h PRO 5 CO 0.73 0.02 -0.25 0.82 -0.21 0.00 0.00 178.00 179.11 3i1s h ILE 6 N 0.03 0.00 -1.17 4.15 1.08 -1.92 -2.52 117.51 117.16 3i1s h ILE 6 Ca 0.08 -0.12 0.34 0.00 -0.39 0.00 0.00 64.86 64.76 3i1s h ILE 6 Cb 0.28 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.98 3i1s h ILE 6 CO -0.00 0.00 0.95 0.00 -0.69 0.00 0.00 178.15 178.41 3i1s h ALA 7 N -1.55 3.06 0.92 1.87 0.00 -1.96 0.49 119.26 122.09 3i1s h ALA 7 Ca -0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3i1s h ALA 7 Cb 0.55 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.43 3i1s h ALA 7 CO 0.12 -1.55 -0.44 0.22 0.00 0.00 0.00 179.25 177.59 3i1s h ASP 8 N 0.00 -1.05 -0.71 0.00 3.58 -1.45 -2.38 116.42 114.42 3i1s h ASP 8 Ca 0.56 0.04 0.14 0.00 0.42 0.00 0.00 57.03 58.18 3i1s h ASP 8 Cb 2.45 0.27 -0.10 0.00 1.72 0.00 0.00 39.33 43.67 3i1s h ASP 8 CO -0.01 -0.70 0.19 -0.03 -2.88 0.00 0.00 179.24 175.82 3i1s h MET 9 N -1.33 0.30 -0.81 0.28 4.05 -0.63 0.14 114.93 116.93 3i1s h MET 9 Ca -0.13 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.26 3i1s h MET 9 Cb 0.95 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.64 3i1s h MET 9 CO 0.21 0.20 0.45 -0.07 0.23 0.00 0.00 176.91 177.92 3i1s h LEU 10 N 0.31 1.00 0.04 3.39 3.38 -1.48 -0.62 115.31 121.32 3i1s h LEU 10 Ca 0.39 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 58.14 3i1s h LEU 10 Cb 0.63 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.14 3i1s h LEU 10 CO -0.46 0.80 -0.55 0.71 0.09 0.00 0.00 178.44 179.03 3i1s h THR 11 N 1.13 1.50 -0.62 0.22 1.35 -0.72 -1.38 112.91 114.38 3i1s h THR 11 Ca 0.29 -2.20 0.13 0.00 -0.55 0.00 0.00 66.41 64.08 3i1s h THR 11 Cb 0.02 2.85 -0.10 0.00 -1.73 0.00 0.00 68.15 69.19 3i1s h THR 11 CO -0.05 0.62 0.03 0.03 -0.25 0.00 0.00 175.52 175.90 3i1s h ARG 12 N -0.32 0.14 0.05 4.72 3.08 -0.57 0.65 114.38 122.14 3i1s h ARG 12 Ca -0.08 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3i1s h ARG 12 Cb 1.32 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3i1s h ARG 12 CO 0.11 0.09 -0.08 0.82 -1.07 0.00 0.00 179.97 179.84 3i1s h ILE 13 N 0.14 0.00 -0.70 2.04 2.04 -1.15 0.17 117.51 120.06 3i1s h ILE 13 Ca 0.33 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.26 3i1s h ILE 13 Cb 0.53 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.51 3i1s h ILE 13 CO -0.51 0.00 -0.55 -0.09 0.00 0.00 0.00 178.15 177.00 3i1s h ARG 14 N -0.14 -0.19 -0.36 2.37 2.43 -0.03 0.45 114.38 118.91 3i1s h ARG 14 Ca -0.01 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3i1s h ARG 14 Cb 0.13 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.64 3i1s h ARG 14 CO -0.02 -0.13 -0.23 -0.91 -1.51 0.00 0.00 179.97 177.17 3i1s h ASN 15 N -0.20 -0.75 0.24 -3.80 2.35 0.24 0.23 115.58 113.90 3i1s h ASN 15 Ca 0.13 0.16 0.01 0.00 -0.55 0.00 0.00 56.30 56.05 3i1s h ASN 15 Cb 0.52 0.38 -0.04 0.00 0.05 0.00 0.00 38.32 39.23 3i1s h ASN 15 CO -0.77 -0.25 -0.49 1.23 -1.65 0.00 0.00 177.43 175.50 3i1s h GLY 16 N -0.17 -1.11 -0.25 2.83 0.00 0.20 0.37 103.07 104.94 3i1s h GLY 16 Ca 0.18 0.59 0.15 0.00 0.00 0.00 0.00 47.33 48.25 3i1s h GLY 16 CO -0.47 -0.30 -0.03 1.46 0.00 0.00 0.00 176.54 177.20 3i1s h GLN 17 N -0.81 0.08 -0.52 4.80 1.08 0.19 0.15 115.11 120.08 3i1s h GLN 17 Ca -0.02 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.26 3i1s h GLN 17 Cb 0.78 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.12 3i1s h GLN 17 CO -0.21 0.06 0.14 0.00 -0.95 0.00 0.00 178.83 177.86 3i1s h ALA 18 N 1.65 0.61 0.00 3.87 0.00 0.10 0.19 119.26 125.68 3i1s h ALA 18 Ca 0.36 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3i1s h ALA 18 Cb 0.61 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3i1s h ALA 18 CO -0.62 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 178.35 3i1s n ALA 19 N -2.50 1.92 -2.66 0.00 0.00 0.44 -4.84 120.51 112.87 3i1s n ALA 19 Ca 0.06 -0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 3i1s n ALA 19 Cb 0.25 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.44 3i1s n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i1s n ASN 20 N -1.26 -5.22 -4.65 0.00 5.15 0.05 -4.96 115.26 104.37 3i1s n ASN 20 Ca 0.08 -0.15 -0.41 0.00 -0.60 0.00 0.00 54.58 53.50 3i1s n ASN 20 Cb 0.13 -4.16 -0.05 0.00 -0.53 0.00 0.00 39.78 35.17 3i1s n ASN 20 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3i1s s LYS 21 N -5.24 4.19 0.15 1.20 -0.14 -1.08 -4.95 119.74 113.87 3i1s s LYS 21 Ca 0.15 0.83 -0.08 0.00 -1.36 0.00 0.00 55.97 55.51 3i1s s LYS 21 Cb -0.07 -3.62 0.19 0.00 -1.68 0.00 0.00 37.83 32.65 3i1s s LYS 21 CO 0.19 -0.42 0.91 0.00 -0.76 0.00 0.00 175.35 175.26 3i1s n ALA 22 N 5.67 0.02 -3.00 5.17 0.00 -1.26 -4.71 120.51 122.40 3i1s n ALA 22 Ca 0.03 0.61 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3i1s n ALA 22 Cb 0.48 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3i1s n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s n ALA 23 N -3.73 0.00 -3.56 0.00 0.00 -1.26 -3.20 120.51 108.76 3i1s n ALA 23 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 3i1s n ALA 23 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 3i1s n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1s s VAL 24 N -2.78 0.00 0.18 0.00 0.11 -0.71 -4.90 120.40 112.30 3i1s s VAL 24 Ca 0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 3i1s s VAL 24 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 3i1s s VAL 24 CO 0.00 0.00 -0.06 0.28 -3.33 0.00 0.00 175.10 171.99 3i1s s THR 25 N -2.17 1.08 0.26 5.04 -1.32 -1.26 -1.00 115.64 116.28 3i1s s THR 25 Ca 0.05 -2.05 -0.21 0.00 -1.21 0.00 0.00 61.69 58.27 3i1s s THR 25 Cb -0.01 -2.03 0.05 0.00 -1.51 0.00 0.00 72.50 69.00 3i1s s THR 25 CO -0.05 -0.59 0.83 0.00 -2.21 0.00 0.00 174.62 172.61 3i1s s MET 26 N -3.80 1.70 0.61 7.08 0.23 -0.49 -4.98 119.30 119.64 3i1s s MET 26 Ca 0.21 -1.00 -0.10 0.00 -1.03 0.00 0.00 55.69 53.77 3i1s s MET 26 Cb 0.04 0.54 -0.03 0.00 -1.53 0.00 0.00 34.83 33.84 3i1s s MET 26 CO 0.03 -0.78 1.00 -1.25 -2.03 0.00 0.00 175.02 171.99 3i1s s PRO 27 N -3.16 3.52 0.25 3.16 0.04 -1.26 0.22 135.00 137.77 3i1s s PRO 27 Ca 0.14 0.63 -0.10 0.00 0.04 0.00 0.00 61.00 61.71 3i1s s PRO 27 Cb -0.04 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 3i1s s PRO 27 CO 0.07 -0.56 0.58 0.45 0.04 0.00 0.00 177.00 177.58 3i1s s SER 28 N -4.19 6.63 -0.42 6.66 0.15 -0.34 -4.64 113.70 117.55 3i1s s SER 28 Ca 0.54 0.96 0.06 0.00 0.70 0.00 0.00 55.95 58.21 3i1s s SER 28 Cb -0.11 -2.24 0.32 0.00 -1.71 0.00 0.00 66.02 62.28 3i1s s SER 28 CO 0.52 -0.11 1.20 -1.54 1.20 0.00 0.00 173.24 174.51 3i1s n SER 29 N -0.27 -2.06 0.00 5.45 3.41 -1.26 -4.95 113.62 113.94 3i1s n SER 29 Ca 0.01 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 3i1s n SER 29 Cb 0.53 1.64 0.00 0.00 -0.26 0.00 0.00 64.21 66.12 3i1s n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i1s n LYS 30 N 0.20 0.00 -0.25 4.33 4.76 -1.26 -1.37 118.16 124.57 3i1s n LYS 30 Ca 0.02 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.49 3i1s n LYS 30 Cb 0.73 0.00 0.09 0.00 -1.84 0.00 0.00 35.03 34.01 3i1s n LYS 30 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3i1s n LEU 31 N 0.00 -0.27 -0.16 -0.35 7.94 -1.26 0.18 117.00 123.08 3i1s n LEU 31 Ca 0.00 1.18 0.06 0.00 -1.11 0.00 0.00 56.01 56.14 3i1s n LEU 31 Cb 0.00 -0.35 0.36 0.00 0.53 0.00 0.00 43.42 43.96 3i1s n LEU 31 CO 0.00 -1.12 1.21 0.50 -1.11 0.00 0.00 177.39 176.87 3i1s h LYS 32 N 0.00 0.72 0.01 1.96 3.64 -1.64 -1.36 116.57 119.90 3i1s h LYS 32 Ca 0.32 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.54 3i1s h LYS 32 Cb 0.49 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3i1s h LYS 32 CO -0.70 0.47 -0.46 0.28 -2.27 0.00 0.00 179.45 176.77 3i1s h VAL 33 N 0.74 1.49 0.00 2.00 2.07 0.16 -2.82 116.25 119.89 3i1s h VAL 33 Ca 0.29 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.74 3i1s h VAL 33 Cb 0.21 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 3i1s h VAL 33 CO -0.09 0.59 0.00 0.00 0.02 0.00 0.00 177.57 178.08 3i1s n ALA 34 N -2.57 1.08 -0.11 1.67 0.00 0.48 -1.87 120.51 119.17 3i1s n ALA 34 Ca -0.10 -0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.11 3i1s n ALA 34 Cb 0.61 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 3i1s n ALA 34 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i1s n ILE 35 N -1.45 1.52 -0.34 0.00 5.41 -0.58 -3.77 119.36 120.15 3i1s n ILE 35 Ca 0.00 -0.11 0.19 0.00 1.00 0.00 0.00 62.75 63.84 3i1s n ILE 35 Cb 0.01 -2.03 0.42 0.00 -0.71 0.00 0.00 39.64 37.32 3i1s n ILE 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1s h ALA 36 N -0.69 1.88 -0.29 -1.39 0.00 -1.11 0.55 119.26 118.20 3i1s h ALA 36 Ca -0.42 0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3i1s h ALA 36 Cb 1.33 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 3i1s h ALA 36 CO -0.25 -0.37 0.19 -0.97 0.00 0.00 0.00 179.25 177.85 3i1s h ASN 37 N 0.52 0.32 0.45 0.00 -0.00 -1.62 0.13 115.58 115.38 3i1s h ASN 37 Ca 0.66 -0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.93 3i1s h ASN 37 Cb 1.34 -0.08 -0.00 0.00 -0.00 0.00 0.00 38.32 39.58 3i1s h ASN 37 CO -0.47 0.23 -0.08 0.58 -0.00 0.00 0.00 177.43 177.69 3i1s h VAL 38 N 0.39 0.36 0.00 2.57 2.07 -0.17 0.46 116.25 121.93 3i1s h VAL 38 Ca 0.11 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3i1s h VAL 38 Cb -0.03 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3i1s h VAL 38 CO -0.03 0.08 -0.20 0.18 0.02 0.00 0.00 177.57 177.62 3i1s n LEU 39 N -3.43 0.80 -0.02 2.57 4.77 0.68 -3.08 117.00 119.29 3i1s n LEU 39 Ca -0.01 0.47 -0.07 0.00 -0.03 0.00 0.00 56.01 56.36 3i1s n LEU 39 Cb 0.23 -0.27 -0.13 0.00 -2.33 0.00 0.00 43.42 40.92 3i1s n LEU 39 CO 0.28 -0.14 -0.54 1.17 -1.33 0.00 0.00 177.39 176.82 3i1s n LYS 40 N -2.23 0.64 0.00 3.23 0.00 0.95 0.12 118.16 120.87 3i1s n LYS 40 Ca 0.05 0.25 0.00 0.00 0.00 0.00 0.00 58.31 58.61 3i1s n LYS 40 Cb 0.44 -1.77 0.00 0.00 0.00 0.00 0.00 35.03 33.70 3i1s n LYS 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3i1s n GLU 41 N -2.98 0.00 0.00 1.64 -0.58 0.12 -2.12 120.64 116.72 3i1s n GLU 41 Ca -0.17 0.24 0.05 0.00 -0.42 0.00 0.00 57.16 56.86 3i1s n GLU 41 Cb 1.02 -1.13 0.27 0.00 -0.57 0.00 0.00 31.44 31.03 3i1s n GLU 41 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3i1s n GLU 42 N -1.04 0.42 -2.33 3.49 0.00 -1.20 -4.85 120.64 115.12 3i1s n GLU 42 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.14 3i1s n GLU 42 Cb 0.00 -1.34 0.01 0.00 0.00 0.00 0.00 31.44 30.11 3i1s n GLU 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i1s n GLY 43 N -0.13 -0.65 0.02 8.31 0.00 -0.90 -4.99 105.19 106.85 3i1s n GLY 43 Ca 0.07 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.27 3i1s n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1s n PHE 44 N -1.63 0.00 -4.57 1.61 3.72 0.33 -4.99 117.46 111.93 3i1s n PHE 44 Ca -0.01 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.10 3i1s n PHE 44 Cb 0.51 -0.32 -0.14 0.00 -0.94 0.00 0.00 39.48 38.60 3i1s n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3i1s s ILE 45 N -2.58 2.20 0.16 4.37 -4.36 -0.80 -4.09 121.20 116.10 3i1s s ILE 45 Ca -0.04 -1.62 -0.16 0.00 -0.26 0.00 0.00 60.65 58.57 3i1s s ILE 45 Cb 0.06 -1.92 0.03 0.00 1.25 0.00 0.00 42.46 41.87 3i1s s ILE 45 CO 0.43 0.19 1.78 -0.08 0.24 0.00 0.00 174.94 177.49 3i1s h GLU 46 N 4.22 0.38 0.00 0.37 4.57 -1.42 -3.42 114.58 119.29 3i1s h GLU 46 Ca -0.49 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3i1s h GLU 46 Cb 1.16 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3i1s h GLU 46 CO 0.41 0.25 0.00 -0.40 -1.18 0.00 0.00 179.01 178.09 3i1s n ASP 47 N -4.93 0.00 -3.64 1.04 3.85 -1.25 -5.03 116.55 106.59 3i1s n ASP 47 Ca 0.01 0.00 -0.08 0.00 -0.71 0.00 0.00 54.79 54.02 3i1s n ASP 47 Cb 0.10 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 39.80 3i1s n ASP 47 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 3i1s s PHE 48 N -1.92 -0.94 -0.19 2.11 -0.71 -1.26 -3.17 117.98 111.91 3i1s s PHE 48 Ca 0.00 1.95 0.01 0.00 -1.04 0.00 0.00 56.93 57.85 3i1s s PHE 48 Cb 0.00 0.53 0.03 0.00 -1.21 0.00 0.00 43.02 42.37 3i1s s PHE 48 CO 0.00 -0.46 -0.15 0.21 -1.34 0.00 0.00 175.22 173.47 3i1s s LYS 49 N 1.32 2.53 -0.32 1.99 2.47 -1.13 -4.97 119.74 121.63 3i1s s LYS 49 Ca -0.08 -0.83 -0.11 0.00 -1.56 0.00 0.00 55.97 53.39 3i1s s LYS 49 Cb -0.05 -2.47 -0.01 0.00 -1.46 0.00 0.00 37.83 33.84 3i1s s LYS 49 CO -0.15 -0.31 0.19 0.54 0.16 0.00 0.00 175.35 175.79 3i1s s VAL 50 N 1.34 4.93 -0.10 4.02 0.11 -1.26 0.15 120.40 129.59 3i1s s VAL 50 Ca 0.02 -0.30 0.04 0.00 -2.93 0.00 0.00 61.98 58.80 3i1s s VAL 50 Cb -0.14 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 3i1s s VAL 50 CO -0.10 0.04 -0.22 -1.61 -3.33 0.00 0.00 175.10 169.88 3i1s s GLU 51 N 1.67 2.85 0.00 1.54 2.02 -1.26 -4.91 118.70 120.61 3i1s s GLU 51 Ca 0.05 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.23 3i1s s GLU 51 Cb -0.17 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.88 3i1s s GLU 51 CO 0.08 0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.92 3i1s n GLY 52 N 3.60 0.06 2.09 -1.39 0.00 -1.26 -0.24 105.19 108.05 3i1s n GLY 52 Ca -0.20 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3i1s n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i1s n ASP 53 N 0.00 -1.60 -0.01 1.61 4.64 -1.26 -4.84 116.55 115.09 3i1s n ASP 53 Ca 0.00 0.43 -0.00 0.00 -1.38 0.00 0.00 54.79 53.84 3i1s n ASP 53 Cb 0.00 1.67 -0.00 0.00 -1.04 0.00 0.00 41.12 41.75 3i1s n ASP 53 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i1s h THR 54 N 0.00 0.00 -3.38 5.18 1.03 -2.05 -3.43 112.91 110.26 3i1s h THR 54 Ca 0.00 -0.08 -0.72 0.00 -0.01 0.00 0.00 66.41 65.60 3i1s h THR 54 Cb 0.00 0.00 -0.34 0.00 -1.07 0.00 0.00 68.15 66.74 3i1s h THR 54 CO 0.00 0.00 -0.02 -0.54 -0.01 0.00 0.00 175.52 174.95 3i1s s LYS 55 N -1.10 3.39 -0.19 0.00 3.01 -1.26 -5.06 119.74 118.53 3i1s s LYS 55 Ca -0.01 -3.22 -0.41 0.00 -1.01 0.00 0.00 55.97 51.32 3i1s s LYS 55 Cb 0.00 -4.05 -0.18 0.00 -1.01 0.00 0.00 37.83 32.59 3i1s s LYS 55 CO 0.02 -1.26 1.46 -0.35 0.51 0.00 0.00 175.35 175.73 3i1s n PRO 56 N 2.48 0.58 -0.02 -1.68 -0.04 -1.26 -4.85 135.00 130.20 3i1s n PRO 56 Ca 0.21 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 3i1s n PRO 56 Cb 0.38 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 3i1s n PRO 56 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i1s n GLU 57 N 3.47 1.01 -2.87 0.54 4.07 0.67 -1.20 120.64 126.34 3i1s n GLU 57 Ca 0.24 0.00 0.03 0.00 -0.06 0.00 0.00 57.16 57.38 3i1s n GLU 57 Cb 0.08 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.47 3i1s n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3i1s s LEU 58 N 0.00 -0.13 0.55 4.31 0.20 0.60 -3.12 118.68 121.09 3i1s s LEU 58 Ca 0.00 -0.04 -0.11 0.00 0.69 0.00 0.00 54.13 54.67 3i1s s LEU 58 Cb 0.00 0.52 -0.05 0.00 -0.43 0.00 0.00 46.19 46.23 3i1s s LEU 58 CO 0.00 -0.02 0.95 -0.70 -0.29 0.00 0.00 176.35 176.30 3i1s s GLU 59 N 2.36 3.68 -0.12 1.98 2.12 0.12 -1.39 118.70 127.45 3i1s s GLU 59 Ca 0.21 0.67 -0.06 0.00 0.36 0.00 0.00 54.97 56.15 3i1s s GLU 59 Cb 0.03 -2.17 0.05 0.00 0.26 0.00 0.00 34.13 32.30 3i1s s GLU 59 CO -0.18 -0.40 0.29 -0.51 -0.54 0.00 0.00 175.26 173.92 3i1s s LEU 60 N -4.75 0.27 -0.46 2.70 1.02 -0.17 -2.81 118.68 114.47 3i1s s LEU 60 Ca 0.54 0.62 -0.17 0.00 0.02 0.00 0.00 54.13 55.14 3i1s s LEU 60 Cb -0.11 0.88 0.05 0.00 0.02 0.00 0.00 46.19 47.04 3i1s s LEU 60 CO 0.46 -0.17 0.44 -0.89 0.02 0.00 0.00 176.35 176.21 3i1s s THR 61 N 1.33 5.13 0.67 5.49 2.01 -1.19 -1.73 115.64 127.35 3i1s s THR 61 Ca -0.09 -0.76 -0.17 0.00 0.31 0.00 0.00 61.69 60.98 3i1s s THR 61 Cb -0.10 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.29 3i1s s THR 61 CO -0.10 -0.57 1.23 -0.76 -0.69 0.00 0.00 174.62 173.73 3i1s s LEU 62 N 1.96 3.48 -0.07 4.42 2.01 -1.19 -1.24 118.68 128.04 3i1s s LEU 62 Ca 0.08 2.43 -0.06 0.00 0.01 0.00 0.00 54.13 56.59 3i1s s LEU 62 Cb -0.21 -4.60 -0.04 0.00 0.01 0.00 0.00 46.19 41.35 3i1s s LEU 62 CO 0.09 -2.02 0.18 -0.54 1.01 0.00 0.00 176.35 175.08 3i1s s LYS 63 N -3.62 3.48 0.27 1.70 1.02 -1.26 -4.59 119.74 116.74 3i1s s LYS 63 Ca 0.77 -0.15 0.05 0.00 0.02 0.00 0.00 55.97 56.66 3i1s s LYS 63 Cb -0.32 -3.15 -0.06 0.00 -0.52 0.00 0.00 37.83 33.78 3i1s s LYS 63 CO 0.41 0.73 -0.02 0.71 -0.92 0.00 0.00 175.35 176.26 3i1s s TYR 64 N -1.14 1.82 0.00 3.18 1.51 -1.26 -2.65 117.35 118.81 3i1s s TYR 64 Ca 0.20 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 3i1s s TYR 64 Cb -0.13 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 3i1s s TYR 64 CO 0.10 0.13 0.00 0.34 -1.11 0.00 0.00 175.55 175.01 3i1s n PHE 65 N -0.55 0.00 0.69 2.71 7.35 -0.54 -4.78 117.46 122.34 3i1s n PHE 65 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 3i1s n PHE 65 Cb 0.64 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.47 3i1s n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3i1s n GLN 66 N 0.00 0.38 0.00 -4.13 1.13 -1.26 -4.45 117.38 109.05 3i1s n GLN 66 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3i1s n GLN 66 Cb 0.00 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.31 3i1s n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i1s n GLY 67 N -0.04 1.04 3.03 1.08 0.00 -1.26 -5.09 105.19 103.96 3i1s n GLY 67 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3i1s n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1s s LYS 68 N -0.70 0.51 0.17 1.61 2.47 -1.26 -5.12 119.74 117.42 3i1s s LYS 68 Ca 0.00 -0.60 -0.33 0.00 -1.56 0.00 0.00 55.97 53.48 3i1s s LYS 68 Cb 0.00 -0.34 -0.13 0.00 -1.46 0.00 0.00 37.83 35.90 3i1s s LYS 68 CO 0.00 0.07 1.65 0.00 0.16 0.00 0.00 175.35 177.23 3i1s n ALA 69 N 1.89 1.92 -0.01 3.13 0.00 -1.26 -1.46 120.51 124.71 3i1s n ALA 69 Ca -0.20 0.42 0.23 0.00 0.00 0.00 0.00 53.44 53.90 3i1s n ALA 69 Cb 0.56 -2.43 0.68 0.00 0.00 0.00 0.00 19.45 18.26 3i1s n ALA 69 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3i1s h VAL 70 N 3.75 0.30 -3.08 0.00 3.04 -1.81 -3.35 116.25 115.10 3i1s h VAL 70 Ca -0.44 0.00 -0.70 0.00 -1.01 0.00 0.00 66.70 64.55 3i1s h VAL 70 Cb 1.23 0.49 -0.19 0.00 -2.01 0.00 0.00 31.29 30.81 3i1s h VAL 70 CO 0.92 0.00 0.06 -0.69 -1.01 0.00 0.00 177.57 176.85 3i1s s VAL 71 N -4.61 4.87 -0.01 1.51 1.01 -1.26 -4.88 120.40 117.03 3i1s s VAL 71 Ca -0.04 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.91 3i1s s VAL 71 Cb 0.16 -4.39 -0.19 0.00 0.00 0.00 0.00 36.38 31.96 3i1s s VAL 71 CO 0.55 -0.96 1.26 -0.33 0.00 0.00 0.00 175.10 175.63 3i1s h GLU 72 N 9.08 -0.07 -4.12 2.72 4.39 -1.70 -3.48 114.58 121.39 3i1s h GLU 72 Ca -0.29 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.30 3i1s h GLU 72 Cb 1.09 0.02 -0.16 0.00 -0.10 0.00 0.00 28.75 29.60 3i1s h GLU 72 CO 1.03 0.35 -0.64 -1.12 -1.16 0.00 0.00 179.01 177.48 3i1s s SER 73 N -5.55 0.39 -0.30 1.42 0.01 -1.25 -5.03 113.70 103.39 3i1s s SER 73 Ca -0.15 -0.86 -0.06 0.00 1.31 0.00 0.00 55.95 56.19 3i1s s SER 73 Cb 0.02 0.20 0.17 0.00 0.21 0.00 0.00 66.02 66.63 3i1s s SER 73 CO 0.64 -0.57 0.71 -0.51 0.41 0.00 0.00 173.24 173.92 3i1s s ILE 74 N -3.49 -0.86 0.49 1.44 2.07 -1.25 -1.25 121.20 118.34 3i1s s ILE 74 Ca 0.03 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.29 3i1s s ILE 74 Cb 0.05 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.66 3i1s s ILE 74 CO -0.08 0.00 0.16 0.00 -1.91 0.00 0.00 174.94 173.11 3i1s n GLN 75 N 5.40 0.81 -4.35 3.50 1.13 -0.63 -4.92 117.38 118.31 3i1s n GLN 75 Ca -0.05 -3.33 -0.22 0.00 -1.94 0.00 0.00 57.00 51.46 3i1s n GLN 75 Cb 0.51 0.67 -0.13 0.00 0.11 0.00 0.00 30.24 31.40 3i1s n GLN 75 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3i1s s ARG 76 N -3.87 1.07 0.00 -1.09 3.00 -1.26 -2.54 118.95 114.26 3i1s s ARG 76 Ca 0.12 -0.97 0.00 0.00 -1.00 0.00 0.00 55.73 53.88 3i1s s ARG 76 Cb -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 34.95 33.76 3i1s s ARG 76 CO 0.08 0.28 0.00 0.28 0.00 0.00 0.00 175.30 175.94 3i1s n VAL 77 N 1.48 0.00 -1.81 7.11 0.31 0.94 -4.89 118.33 121.48 3i1s n VAL 77 Ca -0.19 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.94 3i1s n VAL 77 Cb 0.54 -0.10 -0.06 0.00 -0.91 0.00 0.00 33.84 33.31 3i1s n VAL 77 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3i1s s SER 78 N 1.00 4.51 0.32 4.52 0.15 -1.24 -4.75 113.70 118.22 3i1s s SER 78 Ca 0.00 -0.29 0.06 0.00 0.70 0.00 0.00 55.95 56.42 3i1s s SER 78 Cb 0.00 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 3i1s s SER 78 CO 0.00 -3.31 0.46 0.00 1.20 0.00 0.00 173.24 171.58 3i1s s ARG 79 N 7.96 3.16 0.10 5.44 1.70 0.46 -4.76 118.95 133.01 3i1s s ARG 79 Ca 0.81 -0.98 -0.26 0.00 -0.47 0.00 0.00 55.73 54.84 3i1s s ARG 79 Cb -0.10 -2.83 -0.10 0.00 -0.57 0.00 0.00 34.95 31.35 3i1s s ARG 79 CO 0.04 0.11 1.66 -1.35 -1.08 0.00 0.00 175.30 174.69 3i1s h PRO 80 N 0.93 -0.37 0.00 3.89 0.11 -1.94 0.14 132.00 134.75 3i1s h PRO 80 Ca -0.47 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i1s h PRO 80 Cb 1.25 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3i1s h PRO 80 CO 0.54 -0.24 0.08 0.78 -0.21 0.00 0.00 178.00 178.95 3i1s h GLY 81 N -0.38 0.00 -6.04 -0.55 0.00 -1.98 -3.36 103.07 90.76 3i1s h GLY 81 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 3i1s h GLY 81 CO -0.09 0.00 -0.46 -2.27 0.00 0.00 0.00 176.54 173.72 3i1s s LEU 82 N -5.64 -1.43 0.36 3.11 0.20 0.38 -5.15 118.68 110.50 3i1s s LEU 82 Ca -0.04 -0.63 -0.21 0.00 0.69 0.00 0.00 54.13 53.95 3i1s s LEU 82 Cb 0.10 1.85 -0.10 0.00 -0.43 0.00 0.00 46.19 47.61 3i1s s LEU 82 CO 0.33 -0.21 0.87 -0.13 -0.29 0.00 0.00 176.35 176.92 3i1s s ARG 83 N 2.04 4.26 -0.24 1.98 1.81 -0.56 -0.40 118.95 127.82 3i1s s ARG 83 Ca 0.15 1.03 0.01 0.00 -1.72 0.00 0.00 55.73 55.20 3i1s s ARG 83 Cb -0.06 -2.46 0.06 0.00 -0.45 0.00 0.00 34.95 32.04 3i1s s ARG 83 CO -0.11 0.13 -0.05 0.42 -0.68 0.00 0.00 175.30 175.01 3i1s s ILE 84 N -1.93 1.58 -0.15 1.52 -1.09 -1.26 -4.88 121.20 114.99 3i1s s ILE 84 Ca 0.55 -1.31 -0.06 0.00 -2.23 0.00 0.00 60.65 57.60 3i1s s ILE 84 Cb -0.12 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 3i1s s ILE 84 CO 0.17 -0.15 0.06 -0.31 -1.23 0.00 0.00 174.94 173.49 3i1s s TYR 85 N 1.36 3.30 -0.02 3.97 1.51 -1.26 -1.52 117.35 124.68 3i1s s TYR 85 Ca -0.05 0.19 0.00 0.00 -1.01 0.00 0.00 57.07 56.21 3i1s s TYR 85 Cb -0.19 -1.98 0.02 0.00 -0.11 0.00 0.00 41.96 39.71 3i1s s TYR 85 CO -0.07 0.35 0.01 0.15 -1.11 0.00 0.00 175.55 174.87 3i1s s LYS 86 N -0.21 0.17 1.10 -0.62 1.02 -1.17 -4.97 119.74 115.05 3i1s s LYS 86 Ca 0.08 0.10 -0.12 0.00 0.02 0.00 0.00 55.97 56.04 3i1s s LYS 86 Cb -0.12 -0.36 0.25 0.00 -0.52 0.00 0.00 37.83 37.07 3i1s s LYS 86 CO 0.01 -0.13 1.06 1.03 -0.92 0.00 0.00 175.35 176.40 3i1s s ARG 87 N 0.91 -0.39 0.50 1.68 0.52 -1.26 -3.15 118.95 117.76 3i1s s ARG 87 Ca -0.09 0.94 0.24 0.00 -0.52 0.00 0.00 55.73 56.31 3i1s s ARG 87 Cb -0.12 -1.61 1.32 0.00 0.52 0.00 0.00 34.95 35.06 3i1s s ARG 87 CO -0.02 -3.40 1.71 1.57 0.02 0.00 0.00 175.30 175.18 3i1s h LYS 88 N -2.40 0.00 0.00 3.54 2.10 -1.89 -2.60 116.57 115.33 3i1s h LYS 88 Ca -0.57 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 57.65 3i1s h LYS 88 Cb 1.32 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.59 3i1s h LYS 88 CO 0.49 0.00 -2.42 -0.25 -2.00 0.00 0.00 179.45 175.28 3i1s n ASP 89 N -2.52 1.85 0.28 7.07 9.92 -1.26 -4.41 116.55 127.47 3i1s n ASP 89 Ca -0.02 0.32 0.15 0.00 -0.53 0.00 0.00 54.79 54.72 3i1s n ASP 89 Cb 0.28 -0.77 0.74 0.00 -0.64 0.00 0.00 41.12 40.73 3i1s n ASP 89 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3i1s h GLU 90 N -0.94 0.00 -5.73 -1.24 5.08 -1.80 -3.43 114.58 106.51 3i1s h GLU 90 Ca -0.65 0.00 -0.81 0.00 -1.00 0.00 0.00 59.36 56.91 3i1s h GLU 90 Cb 1.56 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.84 3i1s h GLU 90 CO -0.39 0.00 0.43 1.28 -1.00 0.00 0.00 179.01 179.32 3i1s n LEU 91 N -3.03 0.70 -4.83 1.33 4.77 -1.18 -4.90 117.00 109.87 3i1s n LEU 91 Ca 0.00 1.13 -0.35 0.00 -0.03 0.00 0.00 56.01 56.76 3i1s n LEU 91 Cb 0.49 -0.86 -0.06 0.00 -2.33 0.00 0.00 43.42 40.66 3i1s n LEU 91 CO 0.15 -1.20 0.43 -2.16 -1.33 0.00 0.00 177.39 173.28 3i1s s PRO 92 N 1.75 4.16 -0.25 3.23 0.04 -1.26 -5.08 135.00 137.60 3i1s s PRO 92 Ca 0.95 0.81 -0.03 0.00 0.04 0.00 0.00 61.00 62.77 3i1s s PRO 92 Cb -1.35 -2.70 0.01 0.00 0.04 0.00 0.00 34.50 30.51 3i1s s PRO 92 CO 0.69 0.29 -0.04 -1.59 0.04 0.00 0.00 177.00 176.40 3i1s s LYS 93 N -2.38 3.01 0.52 4.56 0.00 -1.26 -4.81 119.74 119.38 3i1s s LYS 93 Ca 0.48 -0.87 -0.22 0.00 0.00 0.00 0.00 55.97 55.36 3i1s s LYS 93 Cb -0.14 -3.04 -0.05 0.00 0.00 0.00 0.00 37.83 34.59 3i1s s LYS 93 CO 0.20 -0.35 1.26 0.08 0.00 0.00 0.00 175.35 176.54 3i1s s VAL 94 N 1.39 2.54 -1.15 1.79 1.01 -1.24 -3.47 120.40 121.27 3i1s s VAL 94 Ca 0.02 0.39 -0.10 0.00 0.00 0.00 0.00 61.98 62.30 3i1s s VAL 94 Cb -0.16 -3.19 0.10 0.00 0.00 0.00 0.00 36.38 33.12 3i1s s VAL 94 CO -0.03 -0.02 0.24 0.23 0.00 0.00 0.00 175.10 175.52 3i1s n MET 95 N -0.94 -0.87 -3.57 2.72 2.81 -1.26 -0.73 117.12 115.28 3i1s n MET 95 Ca 0.10 0.08 -0.32 0.00 -1.81 0.00 0.00 57.70 55.75 3i1s n MET 95 Cb 0.47 -2.80 0.02 0.00 -0.71 0.00 0.00 33.22 30.20 3i1s n MET 95 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i1s n ALA 96 N -3.02 -2.46 0.00 3.04 0.00 -1.23 -3.97 120.51 112.87 3i1s n ALA 96 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3i1s n ALA 96 Cb 0.36 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3i1s n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1s n GLY 97 N -0.81 0.95 3.56 0.00 0.00 0.09 -4.85 105.19 104.12 3i1s n GLY 97 Ca -0.19 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3i1s n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1s n LEU 98 N 0.00 0.00 -4.92 0.99 4.77 -1.26 -4.37 117.00 112.22 3i1s n LEU 98 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 3i1s n LEU 98 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3i1s n LEU 98 CO 0.00 0.00 0.28 -0.83 -1.33 0.00 0.00 177.39 175.51 3i1s s GLY 99 N 0.00 1.51 0.45 -0.72 0.00 -1.25 -5.05 107.32 102.26 3i1s s GLY 99 Ca 0.00 -0.68 0.06 0.00 0.00 0.00 0.00 44.72 44.10 3i1s s GLY 99 CO 0.00 -0.57 0.13 -0.26 0.00 0.00 0.00 173.10 172.40 3i1s s ILE 100 N -2.42 1.93 -0.04 0.90 -5.25 -0.16 -3.65 121.20 112.51 3i1s s ILE 100 Ca 0.44 -1.81 -0.03 0.00 -0.99 0.00 0.00 60.65 58.26 3i1s s ILE 100 Cb -0.10 -2.74 0.02 0.00 2.95 0.00 0.00 42.46 42.59 3i1s s ILE 100 CO 0.38 0.00 0.09 0.00 -1.79 0.00 0.00 174.94 173.62 3i1s s ALA 101 N -2.70 -0.19 -0.13 2.27 0.00 -1.26 -1.02 121.76 118.73 3i1s s ALA 101 Ca 0.32 0.36 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 3i1s s ALA 101 Cb 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 3i1s s ALA 101 CO 0.17 -0.08 0.01 0.14 0.00 0.00 0.00 175.76 176.00 3i1s s VAL 102 N 0.46 4.32 0.28 0.00 -7.23 -1.17 0.81 120.40 117.88 3i1s s VAL 102 Ca -0.03 -0.22 0.11 0.00 -1.81 0.00 0.00 61.98 60.03 3i1s s VAL 102 Cb -0.05 -2.87 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 3i1s s VAL 102 CO -0.02 0.54 -0.12 0.68 -0.31 0.00 0.00 175.10 175.87 3i1s s VAL 103 N -0.21 2.77 -0.87 1.32 -7.23 -0.88 -2.54 120.40 112.77 3i1s s VAL 103 Ca 0.05 -2.22 -0.06 0.00 -1.81 0.00 0.00 61.98 57.94 3i1s s VAL 103 Cb -0.12 -2.51 0.22 0.00 0.56 0.00 0.00 36.38 34.52 3i1s s VAL 103 CO 0.02 -0.37 0.77 -0.55 -0.31 0.00 0.00 175.10 174.66 3i1s s SER 104 N -3.58 6.26 0.77 4.85 0.15 -1.17 -1.99 113.70 118.99 3i1s s SER 104 Ca 0.31 -3.29 -0.12 0.00 0.70 0.00 0.00 55.95 53.55 3i1s s SER 104 Cb -0.05 -2.02 0.05 0.00 -1.71 0.00 0.00 66.02 62.29 3i1s s SER 104 CO 0.17 -0.33 1.10 0.42 1.20 0.00 0.00 173.24 175.80 3i1s s THR 105 N -0.73 3.16 -1.57 6.45 -4.23 -0.10 -3.91 115.64 114.71 3i1s s THR 105 Ca 0.24 0.38 0.10 0.00 -1.18 0.00 0.00 61.69 61.23 3i1s s THR 105 Cb -0.11 -3.23 0.21 0.00 1.34 0.00 0.00 72.50 70.71 3i1s s THR 105 CO -0.09 -0.49 1.18 -1.54 -0.54 0.00 0.00 174.62 173.15 3i1s n SER 106 N -3.27 0.00 0.00 3.99 3.41 -1.26 -2.95 113.62 113.54 3i1s n SER 106 Ca 0.07 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3i1s n SER 106 Cb 0.57 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3i1s n SER 106 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3i1s n LYS 107 N -1.22 0.00 -1.48 4.33 4.81 -1.26 -5.12 118.16 118.23 3i1s n LYS 107 Ca 0.06 0.12 -0.01 0.00 -0.87 0.00 0.00 58.31 57.60 3i1s n LYS 107 Cb 0.07 -0.50 0.00 0.00 0.02 0.00 0.00 35.03 34.63 3i1s n LYS 107 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1s n GLY 108 N 1.99 1.92 3.27 3.14 0.00 -1.15 -5.12 105.19 109.23 3i1s n GLY 108 Ca 0.00 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 3i1s n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1s s VAL 109 N -2.83 4.72 0.15 1.61 1.01 -1.26 -0.93 120.40 122.87 3i1s s VAL 109 Ca 0.03 -1.60 0.01 0.00 0.00 0.00 0.00 61.98 60.42 3i1s s VAL 109 Cb -0.01 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 3i1s s VAL 109 CO 0.02 -0.79 0.17 1.15 0.00 0.00 0.00 175.10 175.65 3i1s n MET 110 N 5.08 0.25 -1.62 2.72 3.85 -0.84 -4.83 117.12 121.73 3i1s n MET 110 Ca -0.11 -1.38 -0.38 0.00 -1.00 0.00 0.00 57.70 54.83 3i1s n MET 110 Cb 0.41 1.22 0.04 0.00 -1.05 0.00 0.00 33.22 33.84 3i1s n MET 110 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 3i1s n THR 111 N -0.27 3.39 0.04 3.17 -1.04 -1.26 -2.07 114.28 116.23 3i1s n THR 111 Ca 0.02 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.42 3i1s n THR 111 Cb 0.27 -1.16 -0.06 0.00 -1.82 0.00 0.00 70.33 67.55 3i1s n THR 111 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 3i1s h ASP 112 N 0.74 -0.07 -0.93 8.00 -0.00 0.04 -0.81 116.42 123.39 3i1s h ASP 112 Ca -0.48 0.01 0.17 0.00 -0.00 0.00 0.00 57.03 56.74 3i1s h ASP 112 Cb 1.36 0.03 -0.08 0.00 -0.00 0.00 0.00 39.33 40.64 3i1s h ASP 112 CO 0.52 -0.03 0.59 -0.09 -0.00 0.00 0.00 179.24 180.23 3i1s h ARG 113 N -0.03 0.61 -0.33 0.28 1.12 -1.91 -1.15 114.38 112.96 3i1s h ARG 113 Ca 0.02 -0.04 -0.10 0.00 -1.11 0.00 0.00 59.98 58.75 3i1s h ARG 113 Cb 0.06 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 29.86 3i1s h ARG 113 CO -0.04 0.40 -0.22 0.00 -3.11 0.00 0.00 179.97 177.00 3i1s h ALA 114 N 1.61 1.00 0.24 2.80 0.00 -1.54 -0.28 119.26 123.08 3i1s h ALA 114 Ca 0.49 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3i1s h ALA 114 Cb 0.90 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3i1s h ALA 114 CO -0.24 0.59 -0.11 0.00 0.00 0.00 0.00 179.25 179.49 3i1s h ALA 115 N 1.20 -0.32 0.00 0.00 0.00 -0.00 -2.55 119.26 117.59 3i1s h ALA 115 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3i1s h ALA 115 Cb 0.68 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3i1s h ALA 115 CO 0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 179.25 178.65 3i1s h ARG 116 N -0.45 0.00 -0.19 0.00 3.08 -1.25 0.68 114.38 116.25 3i1s h ARG 116 Ca -0.03 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.04 3i1s h ARG 116 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3i1s h ARG 116 CO 0.05 0.03 0.05 0.37 -1.07 0.00 0.00 179.97 179.41 3i1s h GLN 117 N 0.00 0.13 -0.59 0.04 4.15 -0.64 -2.96 115.11 115.26 3i1s h GLN 117 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3i1s h GLN 117 Cb 0.08 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3i1s h GLN 117 CO 0.00 0.09 0.00 0.00 -1.93 0.00 0.00 178.83 176.99 3i1s n ALA 118 N -2.25 2.42 -3.59 3.38 0.00 -0.40 -5.00 120.51 115.07 3i1s n ALA 118 Ca -0.03 -1.33 -0.26 0.00 0.00 0.00 0.00 53.44 51.83 3i1s n ALA 118 Cb 0.08 -0.77 0.05 0.00 0.00 0.00 0.00 19.45 18.80 3i1s n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1s n GLY 119 N 1.16 -0.88 3.57 0.00 0.00 0.22 -5.00 105.19 104.26 3i1s n GLY 119 Ca 0.21 0.42 -0.25 0.00 0.00 0.00 0.00 46.02 46.39 3i1s n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1s s LEU 120 N -6.27 2.95 -0.15 0.99 1.43 -0.89 -4.84 118.68 111.90 3i1s s LEU 120 Ca 0.37 -0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3i1s s LEU 120 Cb -0.11 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 3i1s s LEU 120 CO 0.82 0.06 -0.10 -0.83 0.23 0.00 0.00 176.35 176.53 3i1s s GLY 121 N -3.20 1.57 0.16 -3.19 0.00 -1.26 -3.91 107.32 97.49 3i1s s GLY 121 Ca 0.28 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 44.06 3i1s s GLY 121 CO 0.16 -0.06 0.07 -0.32 0.00 0.00 0.00 173.10 172.96 3i1s s GLY 122 N 0.56 1.15 -0.44 0.20 0.00 -1.19 -4.41 107.32 103.20 3i1s s GLY 122 Ca -0.07 -1.56 -0.28 0.00 0.00 0.00 0.00 44.72 42.81 3i1s s GLY 122 CO 0.03 -1.40 1.60 1.85 0.00 0.00 0.00 173.10 175.18 3i1s s GLU 123 N -4.06 3.33 0.98 2.90 2.12 -1.25 -3.03 118.70 119.68 3i1s s GLU 123 Ca 0.28 0.98 -0.14 0.00 0.36 0.00 0.00 54.97 56.45 3i1s s GLU 123 Cb 0.07 -4.15 0.04 0.00 0.26 0.00 0.00 34.13 30.35 3i1s s GLU 123 CO 0.05 -1.87 0.28 -0.89 -0.54 0.00 0.00 175.26 172.29 3i1s n ILE 124 N 7.17 0.00 0.14 -3.70 2.08 -0.58 -3.02 119.36 121.46 3i1s n ILE 124 Ca 0.18 -0.22 0.00 0.00 0.56 0.00 0.00 62.75 63.28 3i1s n ILE 124 Cb 0.48 -0.59 0.00 0.00 -0.75 0.00 0.00 39.64 38.79 3i1s n ILE 124 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3i1s n ILE 125 N -3.65 0.00 -3.67 1.39 5.41 -1.05 -3.59 119.36 114.19 3i1s n ILE 125 Ca 0.05 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.72 3i1s n ILE 125 Cb 0.55 -0.45 -0.09 0.00 -0.71 0.00 0.00 39.64 38.94 3i1s n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1s s TYR 127 N 2.00 2.82 -0.13 0.00 1.51 -1.05 -3.04 117.35 119.45 3i1s s TYR 127 Ca -0.07 -0.78 -0.17 0.00 -1.01 0.00 0.00 57.07 55.04 3i1s s TYR 127 Cb -0.09 -4.23 -0.04 0.00 -0.11 0.00 0.00 41.96 37.49 3i1s s TYR 127 CO -0.15 -1.54 0.43 0.08 -1.11 0.00 0.00 175.55 173.25 3i1s s VAL 128 N 3.53 5.22 0.00 0.71 1.01 -0.19 -1.61 120.40 129.07 3i1s s VAL 128 Ca 0.21 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.03 3i1s s VAL 128 Cb -0.17 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3i1s s VAL 128 CO 0.06 0.34 0.36 0.00 0.00 0.00 0.00 175.10 175.86