#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnq s VAL 3 N 0.00 2.29 0.00 2.52 1.01 -0.21 -4.93 120.40 121.08 1nnq s VAL 3 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1nnq s VAL 3 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1nnq s VAL 3 CO 0.00 0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.41 1nnq n LYS 4 N 3.95 3.20 -1.71 2.72 4.01 -1.26 -4.90 118.16 124.16 1nnq n LYS 4 Ca 0.15 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.52 1nnq n LYS 4 Cb 0.37 -0.91 -0.03 0.00 -0.51 0.00 0.00 35.03 33.95 1nnq n LYS 4 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1nnq n ARG 5 N -1.77 2.55 0.04 1.97 5.12 -1.26 -4.87 116.66 118.43 1nnq n ARG 5 Ca 0.00 0.91 -0.11 0.00 -1.93 0.00 0.00 57.85 56.73 1nnq n ARG 5 Cb 0.41 -2.69 -0.04 0.00 -1.16 0.00 0.00 32.46 28.98 1nnq n ARG 5 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1nnq h THR 6 N 3.48 0.47 -0.02 0.55 2.02 -1.99 -1.01 112.91 116.41 1nnq h THR 6 Ca -0.45 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1nnq h THR 6 Cb 1.23 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1nnq h THR 6 CO 0.85 0.00 0.01 0.24 0.37 0.00 0.00 175.52 176.99 1nnq h MET 7 N -0.33 0.02 -0.48 6.66 2.86 -1.99 -0.53 114.93 121.15 1nnq h MET 7 Ca 0.08 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1nnq h MET 7 Cb 0.43 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 1nnq h MET 7 CO -0.24 0.08 0.24 1.15 1.06 0.00 0.00 176.91 179.20 1nnq h THR 8 N -0.04 0.96 0.04 2.22 2.02 -1.93 0.29 112.91 116.47 1nnq h THR 8 Ca 0.01 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.05 1nnq h THR 8 Cb 0.07 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1nnq h THR 8 CO -0.00 0.09 -0.21 0.50 0.37 0.00 0.00 175.52 176.26 1nnq h LYS 9 N 0.47 -0.35 -0.53 6.66 3.64 -1.02 0.14 116.57 125.58 1nnq h LYS 9 Ca 0.21 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.71 1nnq h LYS 9 Cb 0.12 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 1nnq h LYS 9 CO -0.15 -0.23 0.09 0.87 -2.27 0.00 0.00 179.45 177.76 1nnq h LYS 10 N -0.36 0.21 -0.59 1.90 6.56 -0.58 0.17 116.57 123.87 1nnq h LYS 10 Ca 0.05 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.61 1nnq h LYS 10 Cb 0.42 -0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 32.00 1nnq h LYS 10 CO -0.17 0.14 0.33 0.74 -2.06 0.00 0.00 179.45 178.43 1nnq h PHE 11 N 0.22 0.82 -0.35 -1.35 0.05 0.12 -0.69 116.94 115.75 1nnq h PHE 11 Ca 0.27 -0.02 -0.13 0.00 3.82 0.00 0.00 57.97 61.92 1nnq h PHE 11 Cb 0.39 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 38.07 1nnq h PHE 11 CO -0.25 0.59 -0.29 -0.07 -0.18 0.00 0.00 178.31 178.11 1nnq h LEU 12 N 0.81 0.76 -0.64 1.54 3.38 -0.29 0.29 115.31 121.17 1nnq h LEU 12 Ca 0.21 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.96 1nnq h LEU 12 Cb 0.04 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 1nnq h LEU 12 CO -0.03 1.01 0.30 -0.33 0.09 0.00 0.00 178.44 179.47 1nnq h GLU 13 N 0.63 0.51 -0.45 1.13 5.08 -0.65 0.21 114.58 121.04 1nnq h GLU 13 Ca 0.08 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 1nnq h GLU 13 Cb 0.81 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1nnq h GLU 13 CO 0.07 0.34 -0.28 1.49 -1.00 0.00 0.00 179.01 179.63 1nnq h GLU 14 N 0.52 0.98 -0.52 2.33 4.57 -0.65 -1.72 114.58 120.11 1nnq h GLU 14 Ca 0.31 -0.45 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 1nnq h GLU 14 Cb 0.33 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1nnq h GLU 14 CO -0.26 1.13 0.23 0.00 -1.18 0.00 0.00 179.01 178.93 1nnq h ALA 15 N 0.84 0.67 -0.38 2.92 0.00 -0.69 0.16 119.26 122.79 1nnq h ALA 15 Ca 0.09 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1nnq h ALA 15 Cb 0.86 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1nnq h ALA 15 CO 0.08 0.25 0.10 0.35 0.00 0.00 0.00 179.25 180.03 1nnq h PHE 16 N 0.69 0.17 -0.47 0.00 3.57 -0.44 0.15 116.94 120.61 1nnq h PHE 16 Ca 0.18 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1nnq h PHE 16 Cb 0.15 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1nnq h PHE 16 CO -0.00 0.04 0.23 0.00 -2.23 0.00 0.00 178.31 176.36 1nnq h ALA 17 N 1.27 0.59 -0.67 2.41 0.00 -1.05 -0.81 119.26 121.00 1nnq h ALA 17 Ca 0.18 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1nnq h ALA 17 Cb 0.19 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1nnq h ALA 17 CO -0.22 -0.12 0.33 0.78 0.00 0.00 0.00 179.25 180.03 1nnq h GLY 18 N 0.46 1.02 1.38 0.00 0.00 0.16 -1.11 103.07 104.98 1nnq h GLY 18 Ca 0.20 -0.50 -0.18 0.00 0.00 0.00 0.00 47.33 46.86 1nnq h GLY 18 CO -0.15 0.47 -0.59 0.83 0.00 0.00 0.00 176.54 177.11 1nnq h GLU 19 N 0.92 0.64 -0.26 4.80 4.39 -0.59 -2.13 114.58 122.35 1nnq h GLU 19 Ca 0.23 -0.43 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 1nnq h GLU 19 Cb 0.10 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1nnq h GLU 19 CO -0.03 1.05 0.15 0.77 -1.16 0.00 0.00 179.01 179.79 1nnq h SER 20 N 0.48 0.31 -0.77 1.42 0.02 -0.70 -0.67 113.55 113.64 1nnq h SER 20 Ca -0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1nnq h SER 20 Cb 1.16 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 1nnq h SER 20 CO 0.12 0.28 0.50 0.24 -1.14 0.00 0.00 176.83 176.82 1nnq h MET 21 N 0.32 1.02 -0.30 3.45 2.86 -1.14 -0.74 114.93 120.41 1nnq h MET 21 Ca 0.09 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1nnq h MET 21 Cb 0.02 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1nnq h MET 21 CO -0.02 0.69 -0.10 0.00 1.06 0.00 0.00 176.91 178.54 1nnq h ALA 22 N 1.27 0.42 -0.45 6.32 0.00 -1.24 0.30 119.26 125.89 1nnq h ALA 22 Ca 0.28 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1nnq h ALA 22 Cb -0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 1nnq h ALA 22 CO -0.06 0.27 0.10 1.25 0.00 0.00 0.00 179.25 180.81 1nnq h HIS 23 N 0.37 0.17 -0.23 0.00 6.17 -0.98 -0.04 115.15 120.61 1nnq h HIS 23 Ca 0.07 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.14 1nnq h HIS 23 Cb 0.60 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.51 1nnq h HIS 23 CO 0.05 0.02 -0.02 1.98 0.71 0.00 0.00 177.93 180.67 1nnq h MET 24 N 0.24 0.42 -0.56 5.26 -1.53 -0.62 -2.04 114.93 116.10 1nnq h MET 24 Ca 0.22 -0.14 0.09 0.00 -3.44 0.00 0.00 59.70 56.43 1nnq h MET 24 Cb 0.27 -0.03 -0.07 0.00 -0.55 0.00 0.00 31.60 31.22 1nnq h MET 24 CO -0.28 0.62 0.18 0.00 0.14 0.00 0.00 176.91 177.57 1nnq h ARG 25 N 0.17 0.33 -0.30 0.39 3.08 -0.21 -1.97 114.38 115.87 1nnq h ARG 25 Ca 0.06 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1nnq h ARG 25 Cb 0.45 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1nnq h ARG 25 CO 0.02 0.22 -0.11 1.88 -1.07 0.00 0.00 179.97 180.90 1nnq h TYR 26 N 0.34 0.55 -0.14 3.04 0.99 -0.76 0.20 116.97 121.19 1nnq h TYR 26 Ca 0.28 -0.08 -0.12 0.00 2.00 0.00 0.00 58.73 60.81 1nnq h TYR 26 Cb 0.36 -0.15 -0.01 0.00 1.00 0.00 0.00 36.73 37.93 1nnq h TYR 26 CO -0.19 0.61 -0.44 -0.07 -0.00 0.00 0.00 178.16 178.07 1nnq h LEU 27 N 0.48 0.35 -0.21 3.88 3.38 -0.94 -0.00 115.31 122.24 1nnq h LEU 27 Ca 0.09 -0.16 -0.21 0.00 0.09 0.00 0.00 57.88 57.69 1nnq h LEU 27 Cb 0.48 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1nnq h LEU 27 CO 0.03 0.75 -0.71 0.40 0.09 0.00 0.00 178.44 178.99 1nnq h ILE 28 N 0.27 1.28 -0.24 1.22 2.04 -0.85 -2.83 117.51 118.40 1nnq h ILE 28 Ca 0.02 -1.91 -0.11 0.00 1.00 0.00 0.00 64.86 63.86 1nnq h ILE 28 Cb 0.88 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1nnq h ILE 28 CO 0.07 0.61 -0.31 -0.26 0.00 0.00 0.00 178.15 178.26 1nnq h PHE 29 N 0.57 0.57 -0.13 1.37 0.05 -0.47 -2.47 116.94 116.42 1nnq h PHE 29 Ca -0.03 -0.14 -0.01 0.00 3.82 0.00 0.00 57.97 61.60 1nnq h PHE 29 Cb 1.34 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 39.15 1nnq h PHE 29 CO 0.08 0.76 0.03 0.00 -0.18 0.00 0.00 178.31 178.99 1nnq h ALA 30 N 1.24 0.18 -0.66 2.45 0.00 -0.95 0.41 119.26 121.92 1nnq h ALA 30 Ca 0.05 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1nnq h ALA 30 Cb 0.76 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1nnq h ALA 30 CO 0.06 -0.18 0.31 1.49 0.00 0.00 0.00 179.25 180.94 1nnq h GLU 31 N 0.01 0.53 -0.61 0.00 4.81 -1.47 -0.91 114.58 116.94 1nnq h GLU 31 Ca 0.04 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1nnq h GLU 31 Cb 0.27 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1nnq h GLU 31 CO 0.00 0.35 0.04 -0.22 -0.73 0.00 0.00 179.01 178.45 1nnq h LYS 32 N 0.55 1.04 -0.48 1.92 1.63 -1.15 -2.51 116.57 117.56 1nnq h LYS 32 Ca 0.32 -0.30 -0.05 0.00 -0.85 0.00 0.00 60.65 59.77 1nnq h LYS 32 Cb 0.34 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1nnq h LYS 32 CO -0.26 0.99 0.09 0.00 -3.45 0.00 0.00 179.45 176.82 1nnq h ALA 33 N 1.07 1.26 -0.35 5.00 0.00 -0.41 -1.96 119.26 123.87 1nnq h ALA 33 Ca 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1nnq h ALA 33 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1nnq h ALA 33 CO 0.02 0.51 0.03 1.49 0.00 0.00 0.00 179.25 181.31 1nnq h GLU 34 N 0.71 0.59 -0.05 0.00 4.57 -1.00 0.91 114.58 120.31 1nnq h GLU 34 Ca 0.16 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1nnq h GLU 34 Cb 0.31 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1nnq h GLU 34 CO 0.00 0.69 -0.15 1.96 -1.18 0.00 0.00 179.01 180.33 1nnq h GLN 35 N 0.42 0.08 -0.02 1.92 4.20 -1.24 -2.14 115.11 118.34 1nnq h GLN 35 Ca 0.10 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1nnq h GLN 35 Cb 0.40 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1nnq h GLN 35 CO 0.01 0.23 0.00 0.39 -0.67 0.00 0.00 178.83 178.80 1nnq n GLU 36 N -4.32 1.55 -2.43 1.46 1.02 -0.76 -4.96 120.64 112.21 1nnq n GLU 36 Ca -0.02 -0.80 -0.01 0.00 -0.02 0.00 0.00 57.16 56.31 1nnq n GLU 36 Cb 0.24 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1nnq n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nnq n GLY 37 N 1.14 0.74 2.56 0.62 0.00 -0.80 -5.02 105.19 104.42 1nnq n GLY 37 Ca 0.20 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 1nnq n GLY 37 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nnq n PHE 38 N -2.98 3.44 0.18 1.61 3.01 0.28 -4.96 117.46 118.03 1nnq n PHE 38 Ca -0.00 -4.19 0.02 0.00 1.01 0.00 0.00 57.45 54.29 1nnq n PHE 38 Cb 0.51 -0.57 0.37 0.00 -0.01 0.00 0.00 39.48 39.77 1nnq n PHE 38 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1nnq h PRO 39 N 4.54 0.05 -0.11 -1.08 0.13 -1.87 -0.89 132.00 132.77 1nnq h PRO 39 Ca 0.18 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 65.13 1nnq h PRO 39 Cb 0.69 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1nnq h PRO 39 CO 0.79 0.37 -0.63 -0.91 -0.23 0.00 0.00 178.00 177.39 1nnq h ASN 40 N 0.04 0.45 -0.30 1.44 2.35 -1.95 -1.17 115.58 116.44 1nnq h ASN 40 Ca 0.00 -0.26 -0.17 0.00 -0.55 0.00 0.00 56.30 55.32 1nnq h ASN 40 Cb 0.60 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 1nnq h ASN 40 CO 0.04 0.96 -0.45 0.40 -1.65 0.00 0.00 177.43 176.73 1nnq h ILE 41 N 0.29 1.28 -0.44 2.81 2.04 -1.83 -0.75 117.51 120.91 1nnq h ILE 41 Ca -0.01 -1.64 0.07 0.00 1.00 0.00 0.00 64.86 64.28 1nnq h ILE 41 Cb 1.17 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 38.69 1nnq h ILE 41 CO 0.11 0.54 0.10 0.00 0.00 0.00 0.00 178.15 178.90 1nnq h ALA 42 N 0.78 0.50 -0.80 1.87 0.00 -1.08 0.22 119.26 120.75 1nnq h ALA 42 Ca 0.04 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1nnq h ALA 42 Cb 1.05 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1nnq h ALA 42 CO 0.10 -0.30 0.52 0.87 0.00 0.00 0.00 179.25 180.45 1nnq h LYS 43 N 0.24 1.03 -0.20 0.00 1.57 -1.07 -1.96 116.57 116.18 1nnq h LYS 43 Ca 0.22 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1nnq h LYS 43 Cb 0.26 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1nnq h LYS 43 CO -0.27 0.68 0.07 1.25 -0.57 0.00 0.00 179.45 180.61 1nnq h LEU 44 N 1.06 0.09 -0.56 2.94 5.85 -0.37 -1.77 115.31 122.55 1nnq h LEU 44 Ca 0.30 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.06 1nnq h LEU 44 Cb -0.09 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1nnq h LEU 44 CO -0.07 0.08 0.34 -0.26 -0.34 0.00 0.00 178.44 178.19 1nnq h PHE 45 N 0.17 0.64 -0.71 1.25 0.04 -0.82 -1.93 116.94 115.58 1nnq h PHE 45 Ca 0.09 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.80 1nnq h PHE 45 Cb 0.05 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 1nnq h PHE 45 CO -0.11 0.37 0.16 0.00 -0.60 0.00 0.00 178.31 178.12 1nnq h ARG 46 N 0.68 1.14 -0.03 1.51 3.08 -1.15 0.31 114.38 119.93 1nnq h ARG 46 Ca 0.22 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1nnq h ARG 46 Cb 0.01 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1nnq h ARG 46 CO -0.09 1.01 -0.01 0.00 -1.07 0.00 0.00 179.97 179.81 1nnq h ALA 47 N 1.08 0.04 -0.64 0.04 0.00 -1.25 -1.66 119.26 116.88 1nnq h ALA 47 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nnq h ALA 47 Cb 0.39 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1nnq h ALA 47 CO 0.01 -0.25 0.41 0.82 0.00 0.00 0.00 179.25 180.24 1nnq h ILE 48 N -0.30 1.17 -0.72 0.00 2.04 -1.34 -1.24 117.51 117.12 1nnq h ILE 48 Ca 0.01 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.60 1nnq h ILE 48 Cb 0.39 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1nnq h ILE 48 CO 0.00 0.16 0.47 0.00 0.00 0.00 0.00 178.15 178.79 1nnq h ALA 49 N 1.59 1.65 -0.36 1.87 0.00 -0.68 -1.17 119.26 122.16 1nnq h ALA 49 Ca 0.23 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1nnq h ALA 49 Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1nnq h ALA 49 CO -0.05 0.25 -0.25 -0.92 0.00 0.00 0.00 179.25 178.28 1nnq h TYR 50 N 0.80 0.83 -0.53 0.00 3.20 -0.28 -1.66 116.97 119.33 1nnq h TYR 50 Ca 0.30 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1nnq h TYR 50 Cb 0.17 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 1nnq h TYR 50 CO -0.00 0.90 0.32 0.00 -1.64 0.00 0.00 178.16 177.74 1nnq h ALA 51 N 1.09 0.67 -0.80 1.82 0.00 -0.56 -0.88 119.26 120.60 1nnq h ALA 51 Ca 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nnq h ALA 51 Cb 0.75 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1nnq h ALA 51 CO 0.06 0.16 0.49 0.93 0.00 0.00 0.00 179.25 180.89 1nnq h GLU 52 N 0.71 1.09 -0.54 0.00 4.39 -1.07 -1.03 114.58 118.12 1nnq h GLU 52 Ca 0.19 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.82 1nnq h GLU 52 Cb -0.01 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.37 1nnq h GLU 52 CO -0.04 0.76 0.32 0.35 -1.16 0.00 0.00 179.01 179.24 1nnq h PHE 53 N 1.11 0.60 0.10 4.33 3.57 -0.87 0.80 116.94 126.58 1nnq h PHE 53 Ca 0.29 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1nnq h PHE 53 Cb -0.05 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 1nnq h PHE 53 CO 0.00 0.34 -0.09 0.28 -2.23 0.00 0.00 178.31 176.62 1nnq h VAL 54 N 0.64 0.80 -0.46 1.41 2.07 -0.54 0.16 116.25 120.32 1nnq h VAL 54 Ca 0.22 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.79 1nnq h VAL 54 Cb 0.02 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1nnq h VAL 54 CO -0.10 0.00 0.19 0.45 0.02 0.00 0.00 177.57 178.14 1nnq h HIS 55 N -0.21 0.34 -0.66 1.57 3.86 -0.95 -1.10 115.15 118.00 1nnq h HIS 55 Ca 0.00 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 1nnq h HIS 55 Cb 0.19 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 1nnq h HIS 55 CO -0.11 0.14 0.21 0.00 0.86 0.00 0.00 177.93 179.04 1nnq h ALA 56 N 1.28 0.87 -0.15 2.45 0.00 -0.63 -2.17 119.26 120.91 1nnq h ALA 56 Ca 0.21 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nnq h ALA 56 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1nnq h ALA 56 CO -0.19 0.54 0.08 -0.22 0.00 0.00 0.00 179.25 179.46 1nnq h LYS 57 N 0.96 0.21 -0.72 0.00 3.64 -0.60 0.65 116.57 120.71 1nnq h LYS 57 Ca 0.21 -0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.72 1nnq h LYS 57 Cb 0.29 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 31.97 1nnq h LYS 57 CO -0.01 0.24 0.21 -0.91 -2.27 0.00 0.00 179.45 176.71 1nnq h ASN 58 N 0.13 0.09 -0.38 4.20 2.35 -1.02 0.31 115.58 121.26 1nnq h ASN 58 Ca 0.05 0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 1nnq h ASN 58 Cb 0.09 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1nnq h ASN 58 CO -0.01 0.01 -0.19 0.45 -1.65 0.00 0.00 177.43 176.03 1nnq h HIS 59 N 0.31 0.93 -0.63 1.19 3.86 -0.83 -1.28 115.15 118.72 1nnq h HIS 59 Ca 0.40 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1nnq h HIS 59 Cb 0.66 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1nnq h HIS 59 CO -0.23 0.99 0.38 0.35 0.86 0.00 0.00 177.93 180.27 1nnq h PHE 60 N 0.61 0.83 -0.12 2.45 3.04 -0.28 -1.56 116.94 121.90 1nnq h PHE 60 Ca 0.08 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.96 1nnq h PHE 60 Cb 0.75 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.99 1nnq h PHE 60 CO 0.06 0.56 -0.22 0.82 -2.02 0.00 0.00 178.31 177.51 1nnq h ILE 61 N 0.85 1.37 -0.18 1.41 2.04 -0.89 -2.07 117.51 120.04 1nnq h ILE 61 Ca 0.22 -1.48 0.05 0.00 1.00 0.00 0.00 64.86 64.66 1nnq h ILE 61 Cb -0.02 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1nnq h ILE 61 CO -0.04 0.43 0.22 0.00 0.00 0.00 0.00 178.15 178.76 1nnq h ALA 62 N 0.54 1.77 -0.01 1.87 0.00 -1.08 0.11 119.26 122.47 1nnq h ALA 62 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nnq h ALA 62 Cb 0.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1nnq h ALA 62 CO 0.05 -0.31 -0.24 1.28 0.00 0.00 0.00 179.25 180.03 1nnq n LEU 63 N -3.73 1.09 0.00 0.00 4.77 -0.60 -1.05 117.00 117.48 1nnq n LEU 63 Ca 0.02 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1nnq n LEU 63 Cb 0.34 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1nnq n LEU 63 CO 0.27 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1nnq n GLY 64 N 1.33 0.51 0.77 -0.72 0.00 0.40 -4.80 105.19 102.67 1nnq n GLY 64 Ca 0.13 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.39 1nnq n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nnq n LYS 65 N -1.88 1.87 -3.47 1.61 5.02 -0.79 -4.78 118.16 115.75 1nnq n LYS 65 Ca 0.00 -1.55 -0.40 0.00 -2.02 0.00 0.00 58.31 54.34 1nnq n LYS 65 Cb 0.24 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.70 1nnq n LYS 65 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nnq s LEU 66 N -2.13 4.24 0.00 -0.35 2.96 -1.26 -4.98 118.68 117.17 1nnq s LEU 66 Ca 0.24 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1nnq s LEU 66 Cb 0.19 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1nnq s LEU 66 CO 0.39 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 1nnq n GLY 67 N 4.94 5.09 3.87 7.98 0.00 -1.26 -5.06 105.19 120.76 1nnq n GLY 67 Ca -0.11 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 1nnq n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nnq s LYS 68 N 2.67 3.70 0.29 1.61 1.02 -1.26 -4.81 119.74 122.96 1nnq s LYS 68 Ca 0.00 0.60 0.01 0.00 0.02 0.00 0.00 55.97 56.60 1nnq s LYS 68 Cb 0.00 -2.23 0.68 0.00 -0.52 0.00 0.00 37.83 35.76 1nnq s LYS 68 CO 0.00 -0.30 1.63 1.15 -0.92 0.00 0.00 175.35 176.92 1nnq h THR 69 N 0.40 0.28 -0.67 2.17 2.02 -1.98 0.21 112.91 115.33 1nnq h THR 69 Ca -0.46 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 1nnq h THR 69 Cb 1.19 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1nnq h THR 69 CO 0.62 0.03 0.23 -0.65 0.37 0.00 0.00 175.52 176.12 1nnq h PRO 70 N 0.16 1.01 -0.31 6.66 0.11 -1.93 -0.06 132.00 137.65 1nnq h PRO 70 Ca 0.54 -0.19 -0.18 0.00 0.11 0.00 0.00 66.00 66.28 1nnq h PRO 70 Cb 1.09 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1nnq h PRO 70 CO -0.69 0.85 -0.51 0.93 -0.21 0.00 0.00 178.00 178.37 1nnq h GLU 71 N 0.98 0.88 -0.64 1.05 3.07 -1.41 -1.60 114.58 116.91 1nnq h GLU 71 Ca 0.22 -0.54 0.03 0.00 -0.50 0.00 0.00 59.36 58.57 1nnq h GLU 71 Cb 0.25 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.17 1nnq h GLU 71 CO -0.01 1.18 0.40 -0.91 -1.40 0.00 0.00 179.01 178.27 1nnq h ASN 72 N 0.69 0.66 -0.73 1.42 2.35 -0.85 -0.40 115.58 118.71 1nnq h ASN 72 Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1nnq h ASN 72 Cb 1.12 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.31 1nnq h ASN 72 CO 0.12 0.46 0.37 -0.07 -1.65 0.00 0.00 177.43 176.66 1nnq h LEU 73 N 0.79 0.93 -1.17 1.61 3.38 -0.88 -1.17 115.31 118.79 1nnq h LEU 73 Ca 0.26 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1nnq h LEU 73 Cb 0.01 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1nnq h LEU 73 CO -0.10 0.79 0.57 -0.61 0.09 0.00 0.00 178.44 179.17 1nnq h GLN 74 N 1.01 1.05 -0.65 1.13 5.75 -0.56 0.43 115.11 123.28 1nnq h GLN 74 Ca 0.25 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.62 1nnq h GLN 74 Cb 0.08 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 1nnq h GLN 74 CO -0.04 0.69 0.12 1.98 -2.65 0.00 0.00 178.83 178.94 1nnq h MET 75 N 1.08 1.04 -0.18 1.69 4.05 -0.25 -2.12 114.93 120.25 1nnq h MET 75 Ca 0.34 -0.26 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1nnq h MET 75 Cb 0.01 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 1nnq h MET 75 CO -0.10 0.95 0.10 0.78 0.23 0.00 0.00 176.91 178.87 1nnq h GLY 76 N 1.05 0.27 0.99 1.39 0.00 -0.80 -1.95 103.07 104.02 1nnq h GLY 76 Ca 0.20 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.44 1nnq h GLY 76 CO 0.01 0.12 0.61 -2.22 0.00 0.00 0.00 176.54 175.06 1nnq h ILE 77 N 0.20 1.18 -0.10 2.60 2.04 -0.61 -0.92 117.51 121.90 1nnq h ILE 77 Ca 0.06 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1nnq h ILE 77 Cb 0.06 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.02 1nnq h ILE 77 CO -0.01 0.22 -0.05 -0.33 0.00 0.00 0.00 178.15 177.97 1nnq h GLU 78 N 1.20 0.22 -0.20 2.37 5.08 -1.32 -1.74 114.58 120.19 1nnq h GLU 78 Ca 0.36 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1nnq h GLU 78 Cb -0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1nnq h GLU 78 CO -0.10 0.58 0.04 0.78 -1.00 0.00 0.00 179.01 179.31 1nnq h GLY 79 N -0.14 0.22 1.01 -3.84 0.00 -1.17 -1.07 103.07 98.07 1nnq h GLY 79 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1nnq h GLY 79 CO 0.02 0.00 0.49 0.83 0.00 0.00 0.00 176.54 177.88 1nnq h GLU 80 N 0.12 1.04 -0.34 4.80 4.39 -1.21 -2.30 114.58 121.10 1nnq h GLU 80 Ca 0.09 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 1nnq h GLU 80 Cb 0.08 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1nnq h GLU 80 CO -0.12 0.72 -0.30 1.15 -1.16 0.00 0.00 179.01 179.30 1nnq h THR 81 N 1.06 1.28 -0.53 1.13 2.02 -1.14 0.21 112.91 116.94 1nnq h THR 81 Ca 0.28 -1.44 -0.04 0.00 0.77 0.00 0.00 66.41 65.98 1nnq h THR 81 Cb -0.07 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1nnq h THR 81 CO -0.06 0.47 0.16 0.15 0.37 0.00 0.00 175.52 176.61 1nnq h PHE 82 N 0.61 0.87 -0.63 3.16 3.04 -0.99 -0.58 116.94 122.42 1nnq h PHE 82 Ca 0.07 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1nnq h PHE 82 Cb 0.82 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 39.05 1nnq h PHE 82 CO 0.04 0.74 0.30 0.93 -2.02 0.00 0.00 178.31 178.30 1nnq h GLU 83 N 0.74 0.90 -0.15 1.11 5.08 -0.99 0.12 114.58 121.40 1nnq h GLU 83 Ca 0.17 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1nnq h GLU 83 Cb 0.29 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1nnq h GLU 83 CO -0.00 0.73 -0.07 0.28 -1.00 0.00 0.00 179.01 178.94 1nnq h VAL 84 N 0.86 1.31 0.01 3.13 2.07 -0.92 -1.75 116.25 120.96 1nnq h VAL 84 Ca 0.22 -1.12 -0.31 0.00 0.82 0.00 0.00 66.70 66.31 1nnq h VAL 84 Cb 0.12 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1nnq h VAL 84 CO -0.03 0.33 -1.81 -0.62 0.02 0.00 0.00 177.57 175.46 1nnq n GLU 85 N -4.64 0.65 0.02 1.57 1.02 -0.23 -4.46 120.64 114.56 1nnq n GLU 85 Ca -0.06 0.26 -0.01 0.00 -0.02 0.00 0.00 57.16 57.33 1nnq n GLU 85 Cb 0.30 -1.75 -0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1nnq n GLU 85 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nnq n GLU 86 N -3.04 0.06 0.12 3.49 -0.58 0.32 -4.84 120.64 116.18 1nnq n GLU 86 Ca -0.20 0.02 -0.05 0.00 -0.42 0.00 0.00 57.16 56.51 1nnq n GLU 86 Cb 1.06 -0.51 -0.03 0.00 -0.57 0.00 0.00 31.44 31.40 1nnq n GLU 86 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1nnq h MET 87 N -0.12 -0.33 -0.92 3.49 4.05 -1.35 -3.11 114.93 116.64 1nnq h MET 87 Ca 0.00 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1nnq h MET 87 Cb 0.12 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 1nnq h MET 87 CO 0.00 -0.22 0.52 1.88 0.23 0.00 0.00 176.91 179.32 1nnq h TYR 88 N -0.63 1.24 -0.77 1.39 0.05 -1.58 -0.43 116.97 116.24 1nnq h TYR 88 Ca -0.04 -0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.80 1nnq h TYR 88 Cb 0.26 -0.40 -0.06 0.00 1.01 0.00 0.00 36.73 37.54 1nnq h TYR 88 CO 0.05 0.85 0.45 -1.35 -1.05 0.00 0.00 178.16 177.10 1nnq h PRO 89 N 1.28 0.77 -0.19 4.88 0.11 -1.76 0.44 132.00 137.53 1nnq h PRO 89 Ca 0.33 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.33 1nnq h PRO 89 Cb -0.00 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 30.93 1nnq h PRO 89 CO -0.06 0.51 -0.11 0.28 -0.21 0.00 0.00 178.00 178.41 1nnq h VAL 90 N 0.79 1.31 -0.62 3.15 2.07 -1.37 -1.45 116.25 120.13 1nnq h VAL 90 Ca 0.36 -1.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 1nnq h VAL 90 Cb 0.26 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1nnq h VAL 90 CO -0.21 0.36 0.15 1.88 0.02 0.00 0.00 177.57 179.78 1nnq h TYR 91 N 0.10 1.05 -0.13 1.57 -1.99 -0.99 -1.40 116.97 115.18 1nnq h TYR 91 Ca 0.04 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1nnq h TYR 91 Cb 0.61 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.04 1nnq h TYR 91 CO 0.07 0.87 0.08 -0.97 -0.00 0.00 0.00 178.16 178.21 1nnq h ASN 92 N 0.92 0.13 -0.46 3.88 -0.73 -0.89 -0.60 115.58 117.83 1nnq h ASN 92 Ca 0.20 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.33 1nnq h ASN 92 Cb 0.35 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.89 1nnq h ASN 92 CO 0.00 0.10 0.19 0.50 -0.37 0.00 0.00 177.43 177.85 1nnq h LYS 93 N 0.16 0.74 -0.19 6.67 1.63 -1.06 -1.46 116.57 123.07 1nnq h LYS 93 Ca 0.05 -0.12 -0.16 0.00 -0.85 0.00 0.00 60.65 59.57 1nnq h LYS 93 Cb -0.01 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1nnq h LYS 93 CO -0.02 0.63 -0.52 0.00 -3.45 0.00 0.00 179.45 176.09 1nnq h ALA 94 N 1.47 0.31 -0.38 5.00 0.00 -1.03 0.92 119.26 125.56 1nnq h ALA 94 Ca 0.17 -0.50 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1nnq h ALA 94 Cb 0.18 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1nnq h ALA 94 CO -0.01 0.50 0.01 0.00 0.00 0.00 0.00 179.25 179.76 1nnq h ALA 95 N 0.58 0.36 -0.40 0.00 0.00 -0.93 0.23 119.26 119.09 1nnq h ALA 95 Ca -0.01 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nnq h ALA 95 Cb 1.13 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1nnq h ALA 95 CO 0.11 -0.38 0.08 1.49 0.00 0.00 0.00 179.25 180.54 1nnq h GLU 96 N 0.12 0.65 0.00 0.00 4.81 -1.14 -0.22 114.58 118.81 1nnq h GLU 96 Ca 0.18 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1nnq h GLU 96 Cb 0.25 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1nnq h GLU 96 CO -0.30 0.69 -0.12 0.35 -0.73 0.00 0.00 179.01 178.91 1nnq h PHE 97 N 0.51 0.00 -0.38 0.92 3.04 -0.36 -1.96 116.94 118.70 1nnq h PHE 97 Ca 0.12 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1nnq h PHE 97 Cb 0.35 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1nnq h PHE 97 CO 0.02 0.12 0.00 1.04 -2.02 0.00 0.00 178.31 177.47 1nnq n GLN 98 N -4.33 2.25 -1.79 1.11 6.02 0.77 -4.94 117.38 116.46 1nnq n GLN 98 Ca -0.03 -1.90 -0.16 0.00 -0.01 0.00 0.00 57.00 54.91 1nnq n GLN 98 Cb 0.19 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 1nnq n GLN 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nnq n GLY 99 N 1.38 0.86 3.40 1.08 0.00 -0.74 -4.95 105.19 106.22 1nnq n GLY 99 Ca 0.18 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 1nnq n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nnq s GLU 100 N -3.91 4.01 0.36 1.61 0.41 -0.15 -4.89 118.70 116.15 1nnq s GLU 100 Ca 0.00 -2.71 0.05 0.00 -0.41 0.00 0.00 54.97 51.91 1nnq s GLU 100 Cb 0.00 -4.77 0.70 0.00 -1.78 0.00 0.00 34.13 28.27 1nnq s GLU 100 CO 0.00 -1.51 1.94 1.57 -0.49 0.00 0.00 175.26 176.77 1nnq h LYS 101 N 7.25 0.52 -0.36 1.61 2.10 -1.93 -0.28 116.57 125.48 1nnq h LYS 101 Ca 0.22 -0.08 -0.17 0.00 -2.00 0.00 0.00 60.65 58.62 1nnq h LYS 101 Cb 0.91 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1nnq h LYS 101 CO 1.08 0.48 -0.43 1.49 -2.00 0.00 0.00 179.45 180.07 1nnq h GLU 102 N 0.51 0.92 -0.17 0.07 4.81 -1.97 -1.41 114.58 117.34 1nnq h GLU 102 Ca 0.12 -0.51 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 1nnq h GLU 102 Cb 0.20 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1nnq h GLU 102 CO -0.00 1.16 -0.26 0.00 -0.73 0.00 0.00 179.01 179.17 1nnq h ALA 103 N 0.76 1.23 -0.66 2.92 0.00 -1.70 -1.60 119.26 120.21 1nnq h ALA 103 Ca 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1nnq h ALA 103 Cb 1.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1nnq h ALA 103 CO 0.10 0.51 0.37 0.28 0.00 0.00 0.00 179.25 180.51 1nnq h VAL 104 N 0.29 1.21 0.15 0.00 2.07 -0.83 -2.38 116.25 116.77 1nnq h VAL 104 Ca 0.04 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1nnq h VAL 104 Cb 0.63 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1nnq h VAL 104 CO 0.05 0.22 -0.07 -0.09 0.02 0.00 0.00 177.57 177.70 1nnq h ARG 105 N 0.90 -0.20 -0.05 1.57 2.43 -0.91 -2.37 114.38 115.75 1nnq h ARG 105 Ca 0.23 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.27 1nnq h ARG 105 Cb 0.03 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1nnq h ARG 105 CO -0.04 -0.09 -0.63 1.79 -1.51 0.00 0.00 179.97 179.49 1nnq h THR 106 N -0.25 1.40 -0.07 0.20 1.35 -1.16 -0.42 112.91 113.97 1nnq h THR 106 Ca -0.02 -2.06 -0.13 0.00 -0.55 0.00 0.00 66.41 63.65 1nnq h THR 106 Cb 0.20 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1nnq h THR 106 CO 0.03 0.60 -0.56 0.71 -0.25 0.00 0.00 175.52 176.06 1nnq h THR 107 N 0.15 1.38 -0.07 6.82 1.35 -1.50 -1.44 112.91 119.59 1nnq h THR 107 Ca -0.01 -1.89 -0.23 0.00 -0.55 0.00 0.00 66.41 63.72 1nnq h THR 107 Cb 1.14 1.95 0.01 0.00 -1.73 0.00 0.00 68.15 69.52 1nnq h THR 107 CO 0.10 0.56 -0.89 -0.74 -0.25 0.00 0.00 175.52 174.30 1nnq h HIS 108 N 0.15 0.93 -0.16 4.73 6.17 -1.06 -0.72 115.15 125.19 1nnq h HIS 108 Ca -0.00 -0.46 0.01 0.00 0.71 0.00 0.00 60.37 60.63 1nnq h HIS 108 Cb 1.04 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.83 1nnq h HIS 108 CO 0.02 1.28 0.09 1.88 0.71 0.00 0.00 177.93 181.90 1nnq h TYR 109 N 0.42 0.16 0.05 5.26 -1.99 -0.97 -2.62 116.97 117.28 1nnq h TYR 109 Ca -0.08 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.65 1nnq h TYR 109 Cb 1.52 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 40.20 1nnq h TYR 109 CO 0.08 0.10 -0.03 0.00 -0.00 0.00 0.00 178.16 178.31 1nnq h ALA 110 N 1.07 -0.07 -0.14 3.88 0.00 -1.24 -3.05 119.26 119.71 1nnq h ALA 110 Ca 0.06 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1nnq h ALA 110 Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1nnq h ALA 110 CO -0.04 -0.43 -0.26 1.25 0.00 0.00 0.00 179.25 179.77 1nnq h LEU 111 N -0.30 -0.82 -1.16 0.00 5.85 -1.10 -0.35 115.31 117.43 1nnq h LEU 111 Ca -0.01 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1nnq h LEU 111 Cb 0.26 0.36 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 1nnq h LEU 111 CO 0.01 -0.31 0.59 -0.33 -0.34 0.00 0.00 178.44 178.06 1nnq h GLU 112 N -0.33 0.96 -0.14 1.25 4.39 -1.51 -2.73 114.58 116.48 1nnq h GLU 112 Ca 0.10 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.53 1nnq h GLU 112 Cb 0.48 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1nnq h GLU 112 CO -0.33 0.64 -0.75 0.00 -1.16 0.00 0.00 179.01 177.40 1nnq h ALA 113 N 1.52 0.40 -0.47 3.43 0.00 -1.24 -3.18 119.26 119.71 1nnq h ALA 113 Ca 0.40 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1nnq h ALA 113 Cb 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1nnq h ALA 113 CO -0.16 0.71 0.32 0.93 0.00 0.00 0.00 179.25 181.05 1nnq h GLU 114 N 0.47 0.45 -0.89 0.00 4.39 -0.80 -1.86 114.58 116.34 1nnq h GLU 114 Ca -0.04 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.70 1nnq h GLU 114 Cb 1.37 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.85 1nnq h GLU 114 CO 0.15 0.29 0.55 0.87 -1.16 0.00 0.00 179.01 179.71 1nnq h LYS 115 N 0.46 0.95 -0.18 2.33 1.57 -1.48 -1.84 116.57 118.38 1nnq h LYS 115 Ca 0.20 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1nnq h LYS 115 Cb 0.22 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1nnq h LYS 115 CO -0.05 0.63 -0.32 0.82 -0.57 0.00 0.00 179.45 179.96 1nnq h ILE 116 N 0.98 1.34 -0.67 1.86 2.04 -1.44 -3.22 117.51 118.40 1nnq h ILE 116 Ca 0.40 -1.55 0.02 0.00 1.00 0.00 0.00 64.86 64.73 1nnq h ILE 116 Cb 0.22 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 1nnq h ILE 116 CO -0.19 0.47 0.42 0.45 0.00 0.00 0.00 178.15 179.31 1nnq h HIS 117 N 0.20 0.79 -0.72 1.37 3.86 -1.00 -1.47 115.15 118.19 1nnq h HIS 117 Ca 0.01 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 1nnq h HIS 117 Cb 0.91 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 29.06 1nnq h HIS 117 CO 0.09 0.46 0.42 0.00 0.86 0.00 0.00 177.93 179.77 1nnq h ALA 118 N 1.28 0.97 -0.31 2.45 0.00 -1.41 -1.69 119.26 120.54 1nnq h ALA 118 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1nnq h ALA 118 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1nnq h ALA 118 CO -0.09 0.14 -0.42 1.49 0.00 0.00 0.00 179.25 180.36 1nnq h GLU 119 N 0.79 0.78 -0.50 0.00 4.81 -1.41 -1.42 114.58 117.63 1nnq h GLU 119 Ca 0.31 -0.42 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1nnq h GLU 119 Cb 0.15 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1nnq h GLU 119 CO -0.16 1.05 0.17 -0.07 -0.73 0.00 0.00 179.01 179.27 1nnq h LEU 120 N 0.63 0.72 -0.77 1.64 3.38 -1.03 -1.12 115.31 118.76 1nnq h LEU 120 Ca 0.05 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1nnq h LEU 120 Cb 0.98 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1nnq h LEU 120 CO 0.09 0.72 -0.21 1.88 0.09 0.00 0.00 178.44 181.01 1nnq h TYR 121 N 0.67 0.79 -0.40 1.13 0.99 -1.22 0.13 116.97 119.06 1nnq h TYR 121 Ca 0.16 -0.17 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1nnq h TYR 121 Cb 0.25 -0.19 -0.02 0.00 1.00 0.00 0.00 36.73 37.77 1nnq h TYR 121 CO 0.01 0.86 0.26 -0.09 -0.00 0.00 0.00 178.16 179.20 1nnq h ARG 122 N 0.62 0.53 -0.37 4.88 2.43 -1.06 -1.05 114.38 120.36 1nnq h ARG 122 Ca 0.09 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.10 1nnq h ARG 122 Cb 0.70 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1nnq h ARG 122 CO 0.05 0.36 -0.28 0.87 -1.51 0.00 0.00 179.97 179.46 1nnq h LYS 123 N 0.54 0.77 -0.01 0.20 6.56 -0.84 -3.00 116.57 120.78 1nnq h LYS 123 Ca 0.15 -0.34 -0.11 0.00 -1.06 0.00 0.00 60.65 59.29 1nnq h LYS 123 Cb -0.05 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.57 1nnq h LYS 123 CO -0.03 0.96 -0.50 0.00 -2.06 0.00 0.00 179.45 177.81 1nnq h ALA 124 N 1.03 1.14 -0.39 3.86 0.00 -0.71 -3.23 119.26 120.95 1nnq h ALA 124 Ca 0.08 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1nnq h ALA 124 Cb 0.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1nnq h ALA 124 CO 0.07 0.64 -0.16 -0.22 0.00 0.00 0.00 179.25 179.57 1nnq h LYS 125 N 0.03 0.80 -0.66 0.00 3.64 -1.06 -0.24 116.57 119.09 1nnq h LYS 125 Ca -0.00 -0.34 0.13 0.00 -1.27 0.00 0.00 60.65 59.17 1nnq h LYS 125 Cb 0.90 -0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.57 1nnq h LYS 125 CO 0.07 0.96 -0.16 0.93 -2.27 0.00 0.00 179.45 178.98 1nnq h GLU 126 N 0.61 0.00 0.59 1.90 5.08 -1.56 -0.46 114.58 120.74 1nnq h GLU 126 Ca 0.09 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1nnq h GLU 126 Cb 0.70 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.96 1nnq h GLU 126 CO 0.05 0.00 -0.28 0.87 -1.00 0.00 0.00 179.01 178.65 1nnq h LYS 127 N 0.00 -0.76 -0.97 2.33 6.56 -1.51 -3.08 116.57 119.15 1nnq h LYS 127 Ca 0.32 0.05 0.07 0.00 -1.06 0.00 0.00 60.65 60.03 1nnq h LYS 127 Cb 0.49 0.17 -0.07 0.00 -0.57 0.00 0.00 32.23 32.25 1nnq h LYS 127 CO -0.67 -0.45 0.62 0.00 -2.06 0.00 0.00 179.45 176.88 1nnq h ALA 128 N -0.68 1.35 -0.14 3.86 0.00 -0.71 -1.03 119.26 121.92 1nnq h ALA 128 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1nnq h ALA 128 Cb 0.66 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1nnq h ALA 128 CO 0.13 0.37 0.04 1.05 0.00 0.00 0.00 179.25 180.84 1nnq h GLU 129 N 1.10 0.19 -0.47 0.00 4.11 -1.13 -0.74 114.58 117.64 1nnq h GLU 129 Ca 0.43 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.84 1nnq h GLU 129 Cb 0.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1nnq h GLU 129 CO -0.19 0.18 0.00 1.63 0.07 0.00 0.00 179.01 180.70 1nnq n LYS 130 N -4.46 2.08 -0.92 1.06 5.02 -0.49 -4.90 118.16 115.55 1nnq n LYS 130 Ca -0.01 -1.31 0.00 0.00 -2.02 0.00 0.00 58.31 54.97 1nnq n LYS 130 Cb 0.12 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1nnq n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nnq n GLY 131 N 0.85 0.32 3.72 0.72 0.00 -0.28 -5.00 105.19 105.52 1nnq n GLY 131 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1nnq n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nnq s GLU 132 N -0.86 4.31 0.82 1.61 2.02 -0.64 -4.97 118.70 120.99 1nnq s GLU 132 Ca 0.00 0.34 -0.12 0.00 0.02 0.00 0.00 54.97 55.22 1nnq s GLU 132 Cb 0.00 -3.44 0.09 0.00 0.10 0.00 0.00 34.13 30.88 1nnq s GLU 132 CO 0.00 0.16 1.15 0.34 0.02 0.00 0.00 175.26 176.92 1nnq s ASP 133 N 0.63 3.74 0.63 -0.19 3.68 -1.26 -2.45 116.67 121.45 1nnq s ASP 133 Ca 0.23 2.13 -0.11 0.00 2.13 0.00 0.00 52.55 56.93 1nnq s ASP 133 Cb -0.15 -2.56 -0.03 0.00 -1.45 0.00 0.00 42.92 38.73 1nnq s ASP 133 CO 0.08 -2.56 1.03 0.27 0.13 0.00 0.00 175.17 174.13 1nnq s ILE 134 N -2.53 4.54 -0.39 4.11 -4.36 -1.26 -4.90 121.20 116.41 1nnq s ILE 134 Ca 0.67 0.86 -0.07 0.00 -0.26 0.00 0.00 60.65 61.85 1nnq s ILE 134 Cb -0.23 -3.76 0.07 0.00 1.25 0.00 0.00 42.46 39.79 1nnq s ILE 134 CO 0.53 -1.05 0.19 -1.61 0.24 0.00 0.00 174.94 173.25 1nnq s GLU 135 N -5.05 2.53 -0.04 0.37 0.41 -1.26 -5.06 118.70 110.60 1nnq s GLU 135 Ca 0.56 -1.40 -0.07 0.00 -0.41 0.00 0.00 54.97 53.66 1nnq s GLU 135 Cb -0.12 -3.63 0.01 0.00 -1.78 0.00 0.00 34.13 28.62 1nnq s GLU 135 CO 0.52 -0.85 0.16 0.96 -0.49 0.00 0.00 175.26 175.56 1nnq s ILE 136 N 1.38 0.03 -0.18 -1.63 -4.36 -1.26 -5.07 121.20 110.10 1nnq s ILE 136 Ca 0.02 -0.24 -0.22 0.00 -0.26 0.00 0.00 60.65 59.95 1nnq s ILE 136 Cb -0.22 -0.32 -0.19 0.00 1.25 0.00 0.00 42.46 42.99 1nnq s ILE 136 CO 0.02 -0.13 0.33 0.50 0.24 0.00 0.00 174.94 175.89 1nnq h LYS 137 N 5.31 0.00 -3.35 0.37 3.64 -1.96 -3.50 116.57 117.08 1nnq h LYS 137 Ca -0.27 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.06 1nnq h LYS 137 Cb 1.20 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.89 1nnq h LYS 137 CO 0.40 0.87 -0.04 -1.59 -2.27 0.00 0.00 179.45 176.83 1nnq s LYS 138 N -2.28 1.13 -0.08 1.90 -2.85 -1.26 -4.69 119.74 111.61 1nnq s LYS 138 Ca -0.24 -0.71 0.03 0.00 -1.00 0.00 0.00 55.97 54.06 1nnq s LYS 138 Cb 0.03 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 1nnq s LYS 138 CO 0.56 -0.45 -0.19 0.08 0.10 0.00 0.00 175.35 175.46 1nnq s VAL 139 N -3.81 1.61 -0.18 1.79 1.01 -0.20 -0.30 120.40 120.33 1nnq s VAL 139 Ca 0.04 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1nnq s VAL 139 Cb 0.01 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1nnq s VAL 139 CO -0.11 0.46 0.10 -0.31 0.00 0.00 0.00 175.10 175.24 1nnq s TYR 140 N 0.40 3.37 -0.14 5.22 1.51 0.76 -1.26 117.35 127.21 1nnq s TYR 140 Ca -0.15 0.26 0.02 0.00 -1.01 0.00 0.00 57.07 56.20 1nnq s TYR 140 Cb -0.16 -2.09 0.01 0.00 -0.11 0.00 0.00 41.96 39.61 1nnq s TYR 140 CO 0.06 0.31 -0.21 0.42 -1.11 0.00 0.00 175.55 175.02 1nnq s ILE 141 N 0.14 1.99 -0.04 2.71 -1.09 0.57 -1.27 121.20 124.22 1nnq s ILE 141 Ca 0.07 -0.93 -0.30 0.00 -2.23 0.00 0.00 60.65 57.26 1nnq s ILE 141 Cb -0.12 -1.77 -0.05 0.00 -1.58 0.00 0.00 42.46 38.94 1nnq s ILE 141 CO -0.00 0.54 1.46 0.00 -1.23 0.00 0.00 174.94 175.70 1nnq n PRO 143 N 6.04 0.79 -0.12 0.00 -0.04 -1.26 -0.11 135.00 140.29 1nnq n PRO 143 Ca 0.14 0.01 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 1nnq n PRO 143 Cb 0.43 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 1nnq n PRO 143 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1nnq n ILE 144 N -1.06 1.54 0.01 0.52 2.08 -1.26 -4.77 119.36 116.43 1nnq n ILE 144 Ca 0.20 -0.32 0.00 0.00 0.56 0.00 0.00 62.75 63.19 1nnq n ILE 144 Cb 0.12 -1.87 -0.00 0.00 -0.75 0.00 0.00 39.64 37.14 1nnq n ILE 144 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nnq n GLY 146 N 0.73 0.73 3.50 0.00 0.00 0.84 -4.47 105.19 106.51 1nnq n GLY 146 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1nnq n GLY 146 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nnq n TYR 147 N -2.48 0.43 -4.33 1.61 4.19 -1.26 -4.59 117.16 110.73 1nnq n TYR 147 Ca 0.00 0.84 -0.25 0.00 3.31 0.00 0.00 57.90 61.80 1nnq n TYR 147 Cb 0.01 -2.11 -0.17 0.00 0.49 0.00 0.00 39.34 37.56 1nnq n TYR 147 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 1nnq s THR 148 N -0.95 1.03 -0.03 2.97 2.01 -1.26 -0.81 115.64 118.60 1nnq s THR 148 Ca 0.63 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.26 1nnq s THR 148 Cb -0.83 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 70.71 1nnq s THR 148 CO 0.58 0.34 -0.05 0.00 -0.69 0.00 0.00 174.62 174.80 1nnq s ALA 149 N 1.01 0.58 -0.14 7.40 0.00 -0.39 -5.00 121.76 125.22 1nnq s ALA 149 Ca -0.08 -0.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.62 1nnq s ALA 149 Cb -0.15 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1nnq s ALA 149 CO -0.00 0.05 0.30 0.08 0.00 0.00 0.00 175.76 176.18 1nnq s VAL 150 N 0.48 5.29 0.00 0.00 1.01 -1.26 -0.17 120.40 125.74 1nnq s VAL 150 Ca -0.06 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1nnq s VAL 150 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1nnq s VAL 150 CO -0.00 0.42 0.00 0.47 0.00 0.00 0.00 175.10 175.99 1nnq n ASP 151 N 3.32 0.00 -4.11 3.32 8.00 0.59 -4.74 116.55 122.94 1nnq n ASP 151 Ca -0.12 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.15 1nnq n ASP 151 Cb 0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.47 1nnq n ASP 151 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1nnq s GLU 152 N 0.00 1.15 0.10 -1.24 2.02 -1.26 -4.82 118.70 114.65 1nnq s GLU 152 Ca 0.00 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.53 1nnq s GLU 152 Cb 0.00 -1.12 -0.04 0.00 0.10 0.00 0.00 34.13 33.08 1nnq s GLU 152 CO 0.00 0.31 -0.13 0.00 0.02 0.00 0.00 175.26 175.46 1nnq s ALA 153 N -0.34 1.32 0.89 5.21 0.00 -1.26 -4.86 121.76 122.72 1nnq s ALA 153 Ca 0.05 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 1nnq s ALA 153 Cb -0.05 -0.05 0.13 0.00 0.00 0.00 0.00 23.12 23.14 1nnq s ALA 153 CO -0.01 0.08 1.09 -1.25 0.00 0.00 0.00 175.76 175.67 1nnq s PRO 154 N -2.51 1.29 0.50 0.00 0.04 -1.26 -4.93 135.00 128.14 1nnq s PRO 154 Ca 0.06 1.00 0.27 0.00 0.04 0.00 0.00 61.00 62.37 1nnq s PRO 154 Cb -0.05 -1.80 1.27 0.00 0.04 0.00 0.00 34.50 33.96 1nnq s PRO 154 CO 0.02 -2.27 1.98 0.93 0.04 0.00 0.00 177.00 177.70 1nnq h GLU 155 N -1.58 0.00 -4.63 4.56 4.39 -2.00 -3.42 114.58 111.90 1nnq h GLU 155 Ca -0.48 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 58.86 1nnq h GLU 155 Cb 1.27 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.65 1nnq h GLU 155 CO 0.52 0.15 -0.77 0.71 -1.16 0.00 0.00 179.01 178.46 1nnq s TYR 156 N -3.93 0.73 0.07 4.33 2.02 -1.26 -0.43 117.35 118.88 1nnq s TYR 156 Ca -0.01 -0.19 -0.32 0.00 -0.37 0.00 0.00 57.07 56.17 1nnq s TYR 156 Cb 0.12 -0.46 -0.12 0.00 -0.40 0.00 0.00 41.96 41.10 1nnq s TYR 156 CO 0.59 -0.02 1.80 0.00 -1.57 0.00 0.00 175.55 176.36 1nnq n PRO 158 N 5.55 0.10 -0.13 0.00 -0.04 -1.26 -1.13 135.00 138.09 1nnq n PRO 158 Ca 0.19 0.36 -0.27 0.00 -0.04 0.00 0.00 63.50 63.74 1nnq n PRO 158 Cb 0.34 -1.70 -0.10 0.00 -0.04 0.00 0.00 33.50 32.00 1nnq n PRO 158 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1nnq n VAL 159 N -1.89 1.53 0.37 0.52 0.31 -1.26 -4.75 118.33 113.16 1nnq n VAL 159 Ca 0.02 -0.25 0.04 0.00 -0.01 0.00 0.00 64.34 64.14 1nnq n VAL 159 Cb 0.19 -1.95 -0.05 0.00 -0.91 0.00 0.00 33.84 31.12 1nnq n VAL 159 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nnq n GLY 161 N 1.28 1.35 3.64 0.00 0.00 -0.28 -4.99 105.19 106.19 1nnq n GLY 161 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1nnq n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nnq n ALA 162 N -0.42 0.60 -1.79 4.61 0.00 -1.26 -4.34 120.51 117.90 1nnq n ALA 162 Ca 0.00 0.23 -0.35 0.00 0.00 0.00 0.00 53.44 53.32 1nnq n ALA 162 Cb 0.00 -2.15 -0.05 0.00 0.00 0.00 0.00 19.45 17.25 1nnq n ALA 162 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nnq s PRO 163 N -2.13 4.12 0.40 0.00 0.05 -1.26 0.21 135.00 136.38 1nnq s PRO 163 Ca 0.63 1.38 0.17 0.00 0.05 0.00 0.00 61.00 63.24 1nnq s PRO 163 Cb -0.53 -2.38 1.07 0.00 0.05 0.00 0.00 34.50 32.71 1nnq s PRO 163 CO 0.57 -0.15 1.80 -0.22 0.05 0.00 0.00 177.00 179.04 1nnq h LYS 164 N 2.21 0.41 -0.02 4.56 3.64 -0.99 -0.60 116.57 125.79 1nnq h LYS 164 Ca -0.49 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1nnq h LYS 164 Cb 1.21 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1nnq h LYS 164 CO 0.61 0.27 0.02 0.93 -2.27 0.00 0.00 179.45 179.02 1nnq h GLU 165 N 0.43 0.00 0.00 1.90 5.08 -1.92 -0.43 114.58 119.63 1nnq h GLU 165 Ca 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1nnq h GLU 165 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1nnq h GLU 165 CO -0.26 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.62 1nnq h LYS 166 N 0.00 0.00 -6.98 2.33 6.56 -1.48 -3.47 116.57 113.53 1nnq h LYS 166 Ca 0.01 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.05 1nnq h LYS 166 Cb 0.05 0.00 0.13 0.00 -0.57 0.00 0.00 32.23 31.84 1nnq h LYS 166 CO -0.00 0.00 0.65 1.19 -2.06 0.00 0.00 179.45 179.23 1nnq n PHE 167 N -2.62 2.53 -3.09 -1.35 3.72 -0.17 -4.59 117.46 111.88 1nnq n PHE 167 Ca 0.04 0.44 -0.39 0.00 -0.05 0.00 0.00 57.45 57.49 1nnq n PHE 167 Cb 0.44 -2.43 -0.05 0.00 -0.94 0.00 0.00 39.48 36.51 1nnq n PHE 167 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1nnq s VAL 168 N -1.22 5.07 -0.18 -4.37 1.01 0.32 -4.86 120.40 116.17 1nnq s VAL 168 Ca 0.64 1.36 -0.05 0.00 0.00 0.00 0.00 61.98 63.94 1nnq s VAL 168 Cb -0.45 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1nnq s VAL 168 CO 0.55 0.27 -0.01 -0.69 0.00 0.00 0.00 175.10 175.22 1nnq s VAL 169 N 0.76 3.93 -0.28 2.92 1.01 -1.26 -0.31 120.40 127.17 1nnq s VAL 169 Ca 0.36 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1nnq s VAL 169 Cb -0.17 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1nnq s VAL 169 CO 0.17 0.45 0.04 -0.36 0.00 0.00 0.00 175.10 175.40 1nnq s PHE 170 N 0.78 3.13 0.00 5.22 0.40 -0.39 -4.96 117.98 122.17 1nnq s PHE 170 Ca -0.00 -1.20 0.00 0.00 -0.60 0.00 0.00 56.93 55.13 1nnq s PHE 170 Cb -0.14 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.19 1nnq s PHE 170 CO 0.02 -0.64 0.00 -0.85 0.70 0.00 0.00 175.22 174.45