#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni6 n GLN 11 N 0.00 0.00 -1.63 0.54 1.13 -1.26 -3.54 117.38 112.62 1ni6 n GLN 11 Ca 0.00 0.00 -0.51 0.00 -1.94 0.00 0.00 57.00 54.55 1ni6 n GLN 11 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.29 1ni6 n GLN 11 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1ni6 n ASP 12 N 0.00 2.22 -0.31 1.08 10.43 -1.26 -4.82 116.55 123.89 1ni6 n ASP 12 Ca 0.00 1.09 0.04 0.00 2.57 0.00 0.00 54.79 58.50 1ni6 n ASP 12 Cb 0.00 -1.25 0.19 0.00 1.84 0.00 0.00 41.12 41.90 1ni6 n ASP 12 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 1ni6 h LEU 13 N 5.59 0.70 -1.85 0.64 5.85 -1.83 0.12 115.31 124.53 1ni6 h LEU 13 Ca -0.47 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1ni6 h LEU 13 Cb 1.31 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1ni6 h LEU 13 CO 0.84 0.38 -0.01 0.77 -0.34 0.00 0.00 178.44 180.08 1ni6 h SER 14 N 0.81 0.07 0.22 1.25 4.64 -1.89 0.71 113.55 119.36 1ni6 h SER 14 Ca 0.43 -0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.43 1ni6 h SER 14 Cb 0.44 -0.02 0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1ni6 h SER 14 CO -0.27 0.09 -1.44 -0.33 -0.87 0.00 0.00 176.83 174.02 1ni6 h GLU 15 N 0.07 0.46 -0.59 4.77 4.39 -1.27 -2.91 114.58 119.50 1ni6 h GLU 15 Ca 0.02 -0.79 -0.07 0.00 0.34 0.00 0.00 59.36 58.86 1ni6 h GLU 15 Cb 0.07 0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1ni6 h GLU 15 CO 0.00 1.38 0.11 0.00 -1.16 0.00 0.00 179.01 179.34 1ni6 h ALA 16 N 0.12 0.79 -0.44 3.43 0.00 -0.88 -2.23 119.26 120.05 1ni6 h ALA 16 Ca -0.26 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ni6 h ALA 16 Cb 2.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1ni6 h ALA 16 CO 0.23 0.53 0.26 1.25 0.00 0.00 0.00 179.25 181.52 1ni6 h LEU 17 N 0.88 0.54 -1.03 0.00 6.46 -0.96 -1.84 115.31 119.36 1ni6 h LEU 17 Ca 0.18 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1ni6 h LEU 17 Cb 0.41 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.17 1ni6 h LEU 17 CO 0.01 0.45 0.40 0.50 -0.62 0.00 0.00 178.44 179.18 1ni6 h LYS 18 N 0.58 1.08 -0.20 1.25 3.64 -1.32 -1.95 116.57 119.65 1ni6 h LYS 18 Ca 0.16 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1ni6 h LYS 18 Cb 0.02 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1ni6 h LYS 18 CO -0.03 0.81 -0.11 1.49 -2.27 0.00 0.00 179.45 179.35 1ni6 h GLU 19 N 1.08 0.42 0.00 1.90 4.81 -1.02 -2.11 114.58 119.66 1ni6 h GLU 19 Ca 0.27 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1ni6 h GLU 19 Cb 0.07 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1ni6 h GLU 19 CO -0.04 0.72 -0.09 0.00 -0.73 0.00 0.00 179.01 178.87 1ni6 h ALA 20 N 0.69 0.99 -0.13 2.92 0.00 -1.25 -3.12 119.26 119.36 1ni6 h ALA 20 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ni6 h ALA 20 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ni6 h ALA 20 CO 0.03 0.11 0.00 0.25 0.00 0.00 0.00 179.25 179.64 1ni6 n THR 21 N -3.18 0.18 -0.31 0.00 -2.24 -0.74 -4.53 114.28 103.46 1ni6 n THR 21 Ca 0.01 -0.59 0.06 0.00 -2.27 0.00 0.00 64.05 61.26 1ni6 n THR 21 Cb 0.41 1.23 0.21 0.00 -2.10 0.00 0.00 70.33 70.08 1ni6 n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1ni6 h LYS 22 N 3.68 0.72 0.34 -0.78 3.64 -1.31 0.34 116.57 123.20 1ni6 h LYS 22 Ca 0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1ni6 h LYS 22 Cb 0.81 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1ni6 h LYS 22 CO 0.00 0.48 -0.16 1.49 -2.27 0.00 0.00 179.45 178.98 1ni6 h GLU 23 N 0.74 -0.43 0.00 1.90 4.57 -1.82 -1.97 114.58 117.57 1ni6 h GLU 23 Ca 0.45 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.58 1ni6 h GLU 23 Cb 0.55 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1ni6 h GLU 23 CO -0.31 -0.18 -0.40 -0.39 -1.18 0.00 0.00 179.01 176.55 1ni6 h VAL 24 N -0.64 1.06 -0.43 0.32 -1.51 -1.77 -1.77 116.25 111.51 1ni6 h VAL 24 Ca -0.05 -1.51 -0.06 0.00 -1.23 0.00 0.00 66.70 63.86 1ni6 h VAL 24 Cb 0.46 1.87 -0.02 0.00 -2.13 0.00 0.00 31.29 31.47 1ni6 h VAL 24 CO 0.08 0.40 0.05 -0.74 -1.23 0.00 0.00 177.57 176.12 1ni6 h HIS 25 N 0.00 0.77 -0.76 5.19 -0.00 -0.28 -0.49 115.15 119.58 1ni6 h HIS 25 Ca -0.00 -0.11 -0.03 0.00 -0.00 0.00 0.00 60.37 60.22 1ni6 h HIS 25 Cb 0.84 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 28.00 1ni6 h HIS 25 CO 0.00 0.75 0.35 1.15 -0.00 0.00 0.00 177.93 180.18 1ni6 h THR 26 N 0.57 1.25 -0.12 6.26 2.02 -1.02 -1.74 112.91 120.13 1ni6 h THR 26 Ca 0.13 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 1ni6 h THR 26 Cb 0.41 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1ni6 h THR 26 CO 0.01 0.30 -0.15 1.56 0.37 0.00 0.00 175.52 177.61 1ni6 h GLN 27 N 1.08 0.20 -0.28 6.66 4.20 -1.01 0.11 115.11 126.07 1ni6 h GLN 27 Ca 0.26 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 1ni6 h GLN 27 Cb 0.14 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1ni6 h GLN 27 CO -0.03 0.36 0.01 0.00 -0.67 0.00 0.00 178.83 178.50 1ni6 h ALA 28 N 1.66 0.38 0.00 3.87 0.00 -0.26 -0.10 119.26 124.81 1ni6 h ALA 28 Ca 0.04 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1ni6 h ALA 28 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ni6 h ALA 28 CO 0.02 0.10 -0.58 1.05 0.00 0.00 0.00 179.25 179.85 1ni6 h GLU 29 N 0.28 0.00 -0.00 0.00 4.11 -0.90 -2.88 114.58 115.19 1ni6 h GLU 29 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 1ni6 h GLU 29 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1ni6 h GLU 29 CO 0.01 0.58 -0.13 0.09 0.07 0.00 0.00 179.01 179.63 1ni6 n ASN 30 N -3.61 0.41 -4.72 3.06 3.02 0.34 -3.00 115.26 110.75 1ni6 n ASN 30 Ca -0.00 -0.40 -0.43 0.00 -0.03 0.00 0.00 54.58 53.72 1ni6 n ASN 30 Cb 0.63 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 1ni6 n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ni6 n ALA 31 N -1.08 1.93 -0.25 5.41 0.00 -0.07 -4.66 120.51 121.79 1ni6 n ALA 31 Ca 0.13 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 1ni6 n ALA 31 Cb 0.29 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.29 1ni6 n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ni6 h GLU 32 N 4.28 -0.21 -0.59 0.00 4.81 -1.89 0.36 114.58 121.34 1ni6 h GLU 32 Ca -0.46 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 58.87 1ni6 h GLU 32 Cb 1.25 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.60 1ni6 h GLU 32 CO 0.76 -0.14 0.20 0.35 -0.73 0.00 0.00 179.01 179.45 1ni6 h PHE 33 N -0.22 0.34 -0.19 0.92 3.57 -1.90 -0.25 116.94 119.21 1ni6 h PHE 33 Ca 0.14 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.53 1ni6 h PHE 33 Cb 0.53 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1ni6 h PHE 33 CO -0.82 0.07 -0.44 1.98 -2.23 0.00 0.00 178.31 176.87 1ni6 h MET 34 N 0.37 0.64 -0.44 1.11 4.05 -1.70 -2.06 114.93 116.90 1ni6 h MET 34 Ca 0.30 -0.43 0.09 0.00 -0.28 0.00 0.00 59.70 59.37 1ni6 h MET 34 Cb 0.38 0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 31.16 1ni6 h MET 34 CO -0.31 1.05 -0.09 -0.09 0.23 0.00 0.00 176.91 177.70 1ni6 h ARG 35 N 0.32 0.02 -0.43 0.39 2.43 0.17 0.56 114.38 117.85 1ni6 h ARG 35 Ca -0.00 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1ni6 h ARG 35 Cb 1.05 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1ni6 h ARG 35 CO 0.10 0.01 0.15 -0.91 -1.51 0.00 0.00 179.97 177.81 1ni6 h ASN 36 N 0.02 0.61 -0.40 -3.80 2.35 -1.01 -1.78 115.58 111.57 1ni6 h ASN 36 Ca 0.21 -0.19 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1ni6 h ASN 36 Cb 0.32 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 1ni6 h ASN 36 CO -0.44 0.64 0.13 0.15 -1.65 0.00 0.00 177.43 176.27 1ni6 h PHE 37 N 0.55 0.23 -0.01 1.19 3.04 -0.61 1.49 116.94 122.83 1ni6 h PHE 37 Ca 0.14 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.06 1ni6 h PHE 37 Cb 0.24 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 1ni6 h PHE 37 CO 0.01 0.08 -0.22 0.37 -2.02 0.00 0.00 178.31 176.54 1ni6 h GLN 38 N 0.28 0.01 -0.08 1.11 4.15 -0.76 -1.26 115.11 118.57 1ni6 h GLN 38 Ca 0.18 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1ni6 h GLN 38 Cb 0.17 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1ni6 h GLN 38 CO -0.20 0.23 0.00 1.63 -1.93 0.00 0.00 178.83 178.57 1ni6 n LYS 39 N -4.28 1.41 -0.60 1.69 5.02 -0.51 -4.87 118.16 116.03 1ni6 n LYS 39 Ca -0.02 -0.61 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 1ni6 n LYS 39 Cb 0.28 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1ni6 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ni6 n GLY 40 N 1.01 0.74 3.35 0.72 0.00 -0.47 -5.00 105.19 105.54 1ni6 n GLY 40 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 1ni6 n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ni6 s GLN 41 N -0.40 3.71 -0.02 1.61 2.00 0.50 -4.82 119.66 122.25 1ni6 s GLN 41 Ca 0.00 -2.47 -0.07 0.00 -2.00 0.00 0.00 55.36 50.81 1ni6 s GLN 41 Cb 0.00 -4.54 0.01 0.00 0.80 0.00 0.00 33.01 29.27 1ni6 s GLN 41 CO 0.00 -1.37 0.15 0.54 -0.50 0.00 0.00 175.29 174.11 1ni6 s VAL 42 N 0.38 0.06 0.35 1.34 0.11 -1.26 -2.57 120.40 118.82 1ni6 s VAL 42 Ca 0.23 -0.49 0.08 0.00 -2.93 0.00 0.00 61.98 58.87 1ni6 s VAL 42 Cb -0.09 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 1ni6 s VAL 42 CO -0.09 -0.27 0.09 0.42 -3.33 0.00 0.00 175.10 171.92 1ni6 s THR 43 N -0.97 2.69 0.26 5.04 -4.23 -1.26 -4.80 115.64 112.36 1ni6 s THR 43 Ca -0.11 -1.83 -0.05 0.00 -1.18 0.00 0.00 61.69 58.53 1ni6 s THR 43 Cb -0.06 -2.90 0.26 0.00 1.34 0.00 0.00 72.50 71.15 1ni6 s THR 43 CO 0.01 -0.15 1.93 0.03 -0.54 0.00 0.00 174.62 175.90 1ni6 h ARG 44 N 1.65 1.26 -0.50 3.99 3.08 -1.95 0.32 114.38 122.23 1ni6 h ARG 44 Ca -0.43 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.49 1ni6 h ARG 44 Cb 1.25 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1ni6 h ARG 44 CO 0.66 0.83 0.09 -0.44 -1.07 0.00 0.00 179.97 180.05 1ni6 h ASP 45 N 1.30 0.79 -0.44 7.04 3.32 -1.99 0.47 116.42 126.90 1ni6 h ASP 45 Ca 0.37 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 1ni6 h ASP 45 Cb -0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1ni6 h ASP 45 CO -0.10 0.84 -0.24 1.23 -1.72 0.00 0.00 179.24 179.25 1ni6 h GLY 46 N 0.70 1.03 1.38 2.75 0.00 -1.77 -2.26 103.07 104.90 1ni6 h GLY 46 Ca 0.15 -0.94 -0.10 0.00 0.00 0.00 0.00 47.33 46.44 1ni6 h GLY 46 CO 0.01 0.85 -0.17 -2.75 0.00 0.00 0.00 176.54 174.48 1ni6 h PHE 47 N 0.79 0.80 -0.34 5.60 3.57 -0.22 -1.78 116.94 125.36 1ni6 h PHE 47 Ca 0.10 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.37 1ni6 h PHE 47 Cb 0.82 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1ni6 h PHE 47 CO 0.06 0.84 -0.07 0.87 -2.23 0.00 0.00 178.31 177.78 1ni6 h LYS 48 N 0.64 0.57 -0.44 1.11 1.57 -0.80 -1.74 116.57 117.48 1ni6 h LYS 48 Ca 0.10 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1ni6 h LYS 48 Cb 0.65 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1ni6 h LYS 48 CO 0.05 0.65 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.32 1ni6 h LEU 49 N 0.53 0.87 -0.42 2.94 3.38 -0.77 -1.19 115.31 120.65 1ni6 h LEU 49 Ca 0.10 -0.30 -0.16 0.00 0.09 0.00 0.00 57.88 57.61 1ni6 h LEU 49 Cb 0.45 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ni6 h LEU 49 CO 0.02 1.04 -0.39 -0.37 0.09 0.00 0.00 178.44 178.83 1ni6 h VAL 50 N 0.75 1.27 -0.36 1.22 -1.51 -1.05 -0.77 116.25 115.80 1ni6 h VAL 50 Ca 0.11 -1.57 -0.03 0.00 -1.23 0.00 0.00 66.70 63.98 1ni6 h VAL 50 Cb 0.71 1.40 -0.02 0.00 -2.13 0.00 0.00 31.29 31.26 1ni6 h VAL 50 CO 0.05 0.52 0.12 0.24 -1.23 0.00 0.00 177.57 177.28 1ni6 h MET 51 N 0.74 0.56 -0.55 5.19 2.86 -1.21 0.14 114.93 122.65 1ni6 h MET 51 Ca 0.06 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1ni6 h MET 51 Cb 0.98 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 1ni6 h MET 51 CO 0.09 0.57 0.27 0.00 1.06 0.00 0.00 176.91 178.91 1ni6 h ALA 52 N 0.97 0.71 -0.00 6.32 0.00 -1.18 -1.35 119.26 124.73 1ni6 h ALA 52 Ca 0.12 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ni6 h ALA 52 Cb 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ni6 h ALA 52 CO -0.01 0.27 -0.16 0.77 0.00 0.00 0.00 179.25 180.13 1ni6 h SER 53 N 0.75 -0.45 -0.80 0.00 0.02 -0.77 -2.34 113.55 109.97 1ni6 h SER 53 Ca 0.19 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.28 1ni6 h SER 53 Cb 0.10 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 1ni6 h SER 53 CO -0.03 -0.22 0.52 -0.07 -1.14 0.00 0.00 176.83 175.90 1ni6 h LEU 54 N -0.26 0.73 0.15 5.07 3.38 -0.39 -0.89 115.31 123.10 1ni6 h LEU 54 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1ni6 h LEU 54 Cb 0.32 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ni6 h LEU 54 CO -0.15 0.46 -0.07 0.22 0.09 0.00 0.00 178.44 178.99 1ni6 h TYR 55 N 0.83 -0.18 -0.84 1.13 3.20 -0.74 0.11 116.97 120.48 1ni6 h TYR 55 Ca 0.35 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 1ni6 h TYR 55 Cb 0.29 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1ni6 h TYR 55 CO -0.00 -0.09 0.42 0.45 -1.64 0.00 0.00 178.16 177.29 1ni6 h HIS 56 N -0.22 1.20 -0.01 -3.82 3.86 -1.03 0.91 115.15 116.05 1ni6 h HIS 56 Ca -0.02 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1ni6 h HIS 56 Cb 0.17 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 1ni6 h HIS 56 CO -0.06 0.86 0.00 0.82 0.86 0.00 0.00 177.93 180.41 1ni6 h ILE 57 N 1.20 1.23 -0.15 2.45 2.04 -0.96 -2.60 117.51 120.72 1ni6 h ILE 57 Ca 0.29 -0.68 -0.10 0.00 1.00 0.00 0.00 64.86 65.38 1ni6 h ILE 57 Cb 0.10 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1ni6 h ILE 57 CO -0.04 0.18 -0.33 1.88 0.00 0.00 0.00 178.15 179.83 1ni6 h TYR 58 N -0.27 0.33 0.09 1.37 0.05 -0.59 0.68 116.97 118.64 1ni6 h TYR 58 Ca 0.00 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 1ni6 h TYR 58 Cb 0.29 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1ni6 h TYR 58 CO 0.02 0.60 -0.04 0.28 -1.05 0.00 0.00 178.16 177.97 1ni6 h VAL 59 N 0.26 0.91 -0.24 -2.88 2.07 -0.79 0.18 116.25 115.76 1ni6 h VAL 59 Ca 0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1ni6 h VAL 59 Cb 0.72 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1ni6 h VAL 59 CO 0.05 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.67 1ni6 h ALA 60 N 0.79 0.32 -0.19 1.67 0.00 -1.26 -1.09 119.26 119.50 1ni6 h ALA 60 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ni6 h ALA 60 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ni6 h ALA 60 CO 0.02 0.01 0.12 1.25 0.00 0.00 0.00 179.25 180.65 1ni6 h LEU 61 N 0.21 0.23 -1.15 0.00 5.85 -0.72 -1.76 115.31 117.96 1ni6 h LEU 61 Ca 0.07 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1ni6 h LEU 61 Cb 0.35 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1ni6 h LEU 61 CO 0.01 0.20 -0.39 -0.33 -0.34 0.00 0.00 178.44 177.59 1ni6 h GLU 62 N 0.23 0.00 -0.36 1.25 5.08 -0.63 -0.70 114.58 119.46 1ni6 h GLU 62 Ca 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1ni6 h GLU 62 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1ni6 h GLU 62 CO -0.01 0.39 0.02 1.49 -1.00 0.00 0.00 179.01 179.90 1ni6 h GLU 63 N 0.00 0.62 0.00 2.33 4.81 -0.88 -1.94 114.58 119.52 1ni6 h GLU 63 Ca -0.00 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 58.92 1ni6 h GLU 63 Cb 0.77 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1ni6 h GLU 63 CO 0.05 0.72 -0.55 0.93 -0.73 0.00 0.00 179.01 179.43 1ni6 h GLU 64 N 0.44 0.00 -0.30 1.92 4.39 -0.95 -2.76 114.58 117.31 1ni6 h GLU 64 Ca 0.10 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 1ni6 h GLU 64 Cb 0.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1ni6 h GLU 64 CO 0.01 0.55 -0.13 0.82 -1.16 0.00 0.00 179.01 179.11 1ni6 h ILE 65 N 0.00 1.29 -0.88 3.13 2.04 -0.93 -2.41 117.51 119.75 1ni6 h ILE 65 Ca -0.01 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 1ni6 h ILE 65 Cb 1.03 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 1ni6 h ILE 65 CO 0.07 0.39 0.52 -0.33 0.00 0.00 0.00 178.15 178.80 1ni6 h GLU 66 N 0.38 1.20 0.00 2.37 4.39 -1.25 0.66 114.58 122.33 1ni6 h GLU 66 Ca 0.07 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 1ni6 h GLU 66 Cb 0.64 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1ni6 h GLU 66 CO 0.04 0.84 -0.28 -0.09 -1.16 0.00 0.00 179.01 178.37 1ni6 h ARG 67 N 1.22 0.00 -0.13 2.33 2.43 -1.39 -3.22 114.38 115.62 1ni6 h ARG 67 Ca 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1ni6 h ARG 67 Cb -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1ni6 h ARG 67 CO -0.06 0.28 0.00 0.09 -1.51 0.00 0.00 179.97 178.77 1ni6 n ASN 68 N -3.80 2.17 0.25 -3.80 4.13 -0.65 -4.74 115.26 108.81 1ni6 n ASN 68 Ca -0.01 -1.67 0.17 0.00 1.68 0.00 0.00 54.58 54.74 1ni6 n ASN 68 Cb 0.37 -0.08 0.81 0.00 -1.54 0.00 0.00 39.78 39.33 1ni6 n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1ni6 h LYS 69 N 1.49 0.00 -0.00 3.52 2.10 0.29 -0.97 116.57 122.99 1ni6 h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ni6 h LYS 69 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1ni6 h LYS 69 CO 0.00 0.00 -0.75 0.39 -2.00 0.00 0.00 179.45 177.09 1ni6 n GLU 70 N -3.23 0.35 -2.15 0.07 1.02 -1.26 -3.74 120.64 111.71 1ni6 n GLU 70 Ca 0.01 -0.28 -0.38 0.00 -0.02 0.00 0.00 57.16 56.49 1ni6 n GLU 70 Cb 0.45 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1ni6 n GLU 70 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ni6 s SER 71 N -2.84 6.19 0.62 1.62 0.15 -0.37 -4.79 113.70 114.28 1ni6 s SER 71 Ca 0.12 2.47 0.35 0.00 0.70 0.00 0.00 55.95 59.60 1ni6 s SER 71 Cb 0.17 -2.62 2.02 0.00 -1.71 0.00 0.00 66.02 63.88 1ni6 s SER 71 CO 0.75 -0.92 2.29 -0.65 1.20 0.00 0.00 173.24 175.91 1ni6 h PRO 72 N 2.31 0.00 0.00 5.44 0.11 -1.93 0.09 132.00 138.02 1ni6 h PRO 72 Ca -0.49 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1ni6 h PRO 72 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1ni6 h PRO 72 CO 0.61 0.00 -0.36 -0.39 -0.21 0.00 0.00 178.00 177.66 1ni6 h VAL 73 N 0.00 0.28 0.00 3.15 -1.51 -1.91 -3.40 116.25 112.85 1ni6 h VAL 73 Ca -0.00 -1.41 -0.03 0.00 -1.23 0.00 0.00 66.70 64.03 1ni6 h VAL 73 Cb 0.02 2.06 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 1ni6 h VAL 73 CO 0.00 0.16 -1.13 0.33 -1.23 0.00 0.00 177.57 175.69 1ni6 n PHE 74 N -3.07 0.00 -0.34 5.19 7.35 -0.77 -4.80 117.46 121.03 1ni6 n PHE 74 Ca 0.02 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.85 1ni6 n PHE 74 Cb 0.61 -0.10 0.27 0.00 0.35 0.00 0.00 39.48 40.62 1ni6 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ni6 h ALA 75 N 0.10 1.12 -0.81 3.13 0.00 -1.09 0.27 119.26 121.99 1ni6 h ALA 75 Ca -0.05 0.34 0.16 0.00 0.00 0.00 0.00 54.91 55.35 1ni6 h ALA 75 Cb 1.09 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 1ni6 h ALA 75 CO 0.00 -0.55 0.54 -1.35 0.00 0.00 0.00 179.25 177.89 1ni6 h PRO 76 N 0.02 0.43 -0.57 0.00 0.11 -1.83 -1.33 132.00 128.83 1ni6 h PRO 76 Ca 0.58 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.62 1ni6 h PRO 76 Cb 1.17 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1ni6 h PRO 76 CO -0.91 0.28 0.05 1.33 -0.21 0.00 0.00 178.00 178.55 1ni6 n VAL 77 N -4.49 2.76 -2.96 3.15 0.24 0.08 -4.81 118.33 112.28 1ni6 n VAL 77 Ca 0.16 -1.53 -0.43 0.00 -2.04 0.00 0.00 64.34 60.50 1ni6 n VAL 77 Cb 0.57 -0.29 -0.05 0.00 -1.47 0.00 0.00 33.84 32.59 1ni6 n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1ni6 s TYR 78 N -2.83 2.90 -0.49 6.34 5.04 -0.50 -4.92 117.35 122.88 1ni6 s TYR 78 Ca 0.53 -0.18 0.07 0.00 -2.44 0.00 0.00 57.07 55.05 1ni6 s TYR 78 Cb 0.41 -3.84 0.24 0.00 0.35 0.00 0.00 41.96 39.13 1ni6 s TYR 78 CO 0.15 -1.21 0.59 1.19 -1.34 0.00 0.00 175.55 174.93 1ni6 n PHE 79 N 6.94 1.14 -0.09 4.97 3.72 -1.26 -5.01 117.46 127.86 1ni6 n PHE 79 Ca -0.01 -3.78 -0.06 0.00 -0.05 0.00 0.00 57.45 53.55 1ni6 n PHE 79 Cb 0.47 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1ni6 n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1ni6 h PRO 80 N 4.18 0.05 -0.42 -1.08 0.13 -1.98 -2.22 132.00 130.66 1ni6 h PRO 80 Ca 0.13 -0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.10 1ni6 h PRO 80 Cb 0.80 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 1ni6 h PRO 80 CO 0.60 0.04 -0.34 0.93 -0.23 0.00 0.00 178.00 179.00 1ni6 h GLU 81 N 0.05 0.96 -0.22 0.86 4.39 -1.97 -2.08 114.58 116.57 1ni6 h GLU 81 Ca 0.16 -0.48 -0.11 0.00 0.34 0.00 0.00 59.36 59.27 1ni6 h GLU 81 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1ni6 h GLU 81 CO -0.29 1.14 -0.35 0.93 -1.16 0.00 0.00 179.01 179.28 1ni6 h GLU 82 N 0.80 0.48 0.00 2.33 3.07 -1.81 -3.40 114.58 116.04 1ni6 h GLU 82 Ca 0.08 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1ni6 h GLU 82 Cb 0.93 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1ni6 h GLU 82 CO 0.09 0.76 -1.29 1.28 -1.40 0.00 0.00 179.01 178.45 1ni6 n LEU 83 N -4.06 0.01 -4.56 1.33 4.77 -0.84 -4.58 117.00 109.06 1ni6 n LEU 83 Ca -0.01 -0.01 -0.52 0.00 -0.03 0.00 0.00 56.01 55.44 1ni6 n LEU 83 Cb 0.47 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1ni6 n LEU 83 CO 0.43 0.00 0.76 0.00 -1.33 0.00 0.00 177.39 177.25 1ni6 n HIS 84 N -1.72 1.23 0.02 -1.77 1.44 -0.78 -4.87 115.22 108.76 1ni6 n HIS 84 Ca -0.01 0.73 0.01 0.00 -2.01 0.00 0.00 57.72 56.44 1ni6 n HIS 84 Cb 0.18 -2.26 -0.01 0.00 0.12 0.00 0.00 29.99 28.01 1ni6 n HIS 84 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1ni6 n ARG 85 N 2.06 1.92 -0.11 -1.40 3.00 -1.26 -4.78 116.66 116.09 1ni6 n ARG 85 Ca 0.18 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.85 57.96 1ni6 n ARG 85 Cb 0.19 -0.90 0.00 0.00 0.00 0.00 0.00 32.46 31.76 1ni6 n ARG 85 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1ni6 h LYS 86 N 0.00 -0.15 -0.68 -0.14 3.64 -1.89 -0.21 116.57 117.15 1ni6 h LYS 86 Ca 0.00 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1ni6 h LYS 86 Cb 0.06 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1ni6 h LYS 86 CO 0.00 -0.10 0.42 0.00 -2.27 0.00 0.00 179.45 177.50 1ni6 h ALA 87 N 1.07 0.88 -0.66 5.00 0.00 -2.00 -1.00 119.26 122.55 1ni6 h ALA 87 Ca 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ni6 h ALA 87 Cb 0.44 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ni6 h ALA 87 CO -0.47 0.18 0.40 0.00 0.00 0.00 0.00 179.25 179.37 1ni6 h ALA 88 N 1.29 0.84 -0.15 0.00 0.00 -1.64 -1.98 119.26 117.61 1ni6 h ALA 88 Ca 0.27 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1ni6 h ALA 88 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ni6 h ALA 88 CO -0.11 0.31 -0.26 -0.07 0.00 0.00 0.00 179.25 179.12 1ni6 h LEU 89 N 0.89 0.28 -0.41 0.00 3.38 -0.60 -1.37 115.31 117.48 1ni6 h LEU 89 Ca 0.24 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1ni6 h LEU 89 Cb -0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1ni6 h LEU 89 CO -0.05 0.54 0.18 -0.33 0.09 0.00 0.00 178.44 178.87 1ni6 h GLU 90 N 0.25 0.60 -0.45 1.13 5.08 -0.51 0.25 114.58 120.94 1ni6 h GLU 90 Ca 0.04 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ni6 h GLU 90 Cb 0.60 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1ni6 h GLU 90 CO 0.04 0.55 0.25 1.96 -1.00 0.00 0.00 179.01 180.81 1ni6 h GLN 91 N 0.52 0.63 -0.40 2.33 7.50 -1.01 -2.43 115.11 122.25 1ni6 h GLN 91 Ca 0.14 -0.07 -0.03 0.00 0.50 0.00 0.00 58.65 59.19 1ni6 h GLN 91 Cb 0.16 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.55 1ni6 h GLN 91 CO -0.01 0.50 0.15 -0.44 -1.50 0.00 0.00 178.83 177.52 1ni6 h ASP 92 N 0.60 0.56 -0.04 1.46 3.45 -0.80 -2.94 116.42 118.72 1ni6 h ASP 92 Ca 0.16 -0.18 -0.06 0.00 0.43 0.00 0.00 57.03 57.37 1ni6 h ASP 92 Cb 0.05 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 1ni6 h ASP 92 CO -0.03 0.60 -0.14 -0.07 -1.57 0.00 0.00 179.24 178.03 1ni6 h LEU 93 N 0.50 0.34 -1.76 1.55 4.07 -0.44 -1.29 115.31 118.29 1ni6 h LEU 93 Ca 0.13 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 1ni6 h LEU 93 Cb 0.22 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 1ni6 h LEU 93 CO -0.01 0.51 -0.15 0.00 -1.08 0.00 0.00 178.44 177.71 1ni6 h ALA 94 N 1.53 1.62 0.01 1.53 0.00 -1.26 0.13 119.26 122.80 1ni6 h ALA 94 Ca 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ni6 h ALA 94 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ni6 h ALA 94 CO 0.03 0.19 -0.00 0.35 0.00 0.00 0.00 179.25 179.81 1ni6 h PHE 95 N 0.00 -0.01 -0.05 0.00 3.57 -1.14 -1.92 116.94 117.39 1ni6 h PHE 95 Ca -0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1ni6 h PHE 95 Cb 0.29 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1ni6 h PHE 95 CO 0.00 0.54 -0.32 -1.49 -2.23 0.00 0.00 178.31 174.82 1ni6 h TRP 96 N -1.00 0.09 -0.01 0.41 4.06 -1.18 -3.27 115.95 115.07 1ni6 h TRP 96 Ca -0.00 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1ni6 h TRP 96 Cb 0.55 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1ni6 h TRP 96 CO 0.15 0.40 -0.07 0.66 -3.56 0.00 0.00 178.44 176.02 1ni6 n TYR 97 N -4.14 0.00 -0.02 0.49 4.01 0.43 -5.09 117.16 112.85 1ni6 n TYR 97 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1ni6 n TYR 97 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 1ni6 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ni6 n GLY 98 N 0.58 -3.08 0.36 2.72 0.00 -0.72 -4.09 105.19 100.97 1ni6 n GLY 98 Ca 0.04 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.43 1ni6 n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ni6 h PRO 99 N 0.00 0.41 -0.81 1.61 0.11 -1.92 -2.21 132.00 129.19 1ni6 h PRO 99 Ca 0.00 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.88 1ni6 h PRO 99 Cb 0.00 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 30.90 1ni6 h PRO 99 CO 0.00 0.27 0.26 0.54 -0.21 0.00 0.00 178.00 178.86 1ni6 n ARG 100 N -4.47 3.32 -0.27 1.05 1.74 -1.26 -4.69 116.66 112.08 1ni6 n ARG 100 Ca 0.11 -2.66 0.08 0.00 -0.77 0.00 0.00 57.85 54.61 1ni6 n ARG 100 Cb 0.42 -2.10 0.21 0.00 -1.02 0.00 0.00 32.46 29.98 1ni6 n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1ni6 h TRP 101 N 2.26 0.20 0.00 -1.55 5.08 -1.54 -1.46 115.95 118.93 1ni6 h TRP 101 Ca 0.25 0.05 0.00 0.00 1.08 0.00 0.00 58.89 60.27 1ni6 h TRP 101 Cb 2.17 0.04 0.00 0.00 -3.00 0.00 0.00 29.16 28.37 1ni6 h TRP 101 CO 1.15 -0.18 0.24 1.96 -1.28 0.00 0.00 178.44 180.32 1ni6 h GLN 102 N 0.19 0.00 -0.18 0.12 4.20 -1.87 0.21 115.11 117.78 1ni6 h GLN 102 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1ni6 h GLN 102 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1ni6 h GLN 102 CO -0.61 0.00 0.00 -0.85 -0.67 0.00 0.00 178.83 176.70 1ni6 n GLU 103 N -2.70 2.64 0.00 1.46 0.28 -0.56 -4.67 120.64 117.09 1ni6 n GLU 103 Ca -0.02 -1.73 0.00 0.00 -0.16 0.00 0.00 57.16 55.25 1ni6 n GLU 103 Cb 0.28 -1.15 0.00 0.00 1.43 0.00 0.00 31.44 32.00 1ni6 n GLU 103 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1ni6 n VAL 104 N 0.12 0.00 -1.77 3.84 0.31 0.50 -5.06 118.33 116.27 1ni6 n VAL 104 Ca 0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.00 1ni6 n VAL 104 Cb 0.33 -0.72 0.02 0.00 -0.91 0.00 0.00 33.84 32.56 1ni6 n VAL 104 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ni6 s ILE 105 N -1.73 2.00 0.62 2.52 -4.36 0.18 -4.96 121.20 115.47 1ni6 s ILE 105 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 60.65 60.25 1ni6 s ILE 105 Cb 0.00 -3.00 -0.03 0.00 1.25 0.00 0.00 42.46 40.68 1ni6 s ILE 105 CO 0.00 0.00 1.05 -2.16 0.24 0.00 0.00 174.94 174.07 1ni6 s PRO 106 N -2.45 3.27 -0.39 0.37 0.04 -1.26 -5.02 135.00 129.55 1ni6 s PRO 106 Ca 0.61 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1ni6 s PRO 106 Cb -0.45 -2.03 0.16 0.00 0.04 0.00 0.00 34.50 32.22 1ni6 s PRO 106 CO 0.58 -0.84 0.32 -0.47 0.04 0.00 0.00 177.00 176.63 1ni6 s TYR 107 N -2.70 0.73 0.72 0.56 5.04 -1.26 -4.82 117.35 115.61 1ni6 s TYR 107 Ca 0.61 -1.92 -0.11 0.00 -2.44 0.00 0.00 57.07 53.21 1ni6 s TYR 107 Cb -0.14 -0.81 0.02 0.00 0.35 0.00 0.00 41.96 41.38 1ni6 s TYR 107 CO 0.43 -0.86 1.08 0.95 -1.34 0.00 0.00 175.55 175.81 1ni6 s THR 108 N 0.50 3.67 0.37 4.34 -4.23 -1.26 -4.81 115.64 114.22 1ni6 s THR 108 Ca 0.27 0.54 0.10 0.00 -1.18 0.00 0.00 61.69 61.43 1ni6 s THR 108 Cb -0.06 -3.42 0.33 0.00 1.34 0.00 0.00 72.50 70.69 1ni6 s THR 108 CO -0.12 -0.71 1.88 -0.65 -0.54 0.00 0.00 174.62 174.48 1ni6 h PRO 109 N -0.73 0.61 -0.01 3.99 0.11 -2.01 0.18 132.00 134.14 1ni6 h PRO 109 Ca -0.45 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1ni6 h PRO 109 Cb 1.24 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1ni6 h PRO 109 CO 0.61 0.41 -0.62 0.00 -0.21 0.00 0.00 178.00 178.18 1ni6 h ALA 110 N 1.61 0.94 -0.09 -0.75 0.00 -1.93 -2.17 119.26 116.86 1ni6 h ALA 110 Ca 0.43 -0.57 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 1ni6 h ALA 110 Cb 0.75 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ni6 h ALA 110 CO -0.19 0.77 -0.78 0.52 0.00 0.00 0.00 179.25 179.58 1ni6 h MET 111 N 0.03 0.69 -0.70 0.00 2.86 -1.41 -3.12 114.93 113.27 1ni6 h MET 111 Ca -0.01 -0.62 0.02 0.00 -2.06 0.00 0.00 59.70 57.04 1ni6 h MET 111 Cb 1.11 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.88 1ni6 h MET 111 CO 0.08 1.22 0.45 1.96 1.06 0.00 0.00 176.91 181.69 1ni6 h GLN 112 N 0.37 0.87 0.00 1.72 4.20 -0.59 -1.40 115.11 120.27 1ni6 h GLN 112 Ca -0.07 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1ni6 h GLN 112 Cb 1.42 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1ni6 h GLN 112 CO 0.16 0.58 0.00 0.07 -0.67 0.00 0.00 178.83 178.96 1ni6 h ARG 113 N 0.90 0.00 0.00 1.46 0.11 -1.47 0.73 114.38 116.11 1ni6 h ARG 113 Ca 0.27 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.28 1ni6 h ARG 113 Cb -0.03 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.06 1ni6 h ARG 113 CO -0.09 0.00 -0.30 -0.92 0.10 0.00 0.00 179.97 178.76 1ni6 h TYR 114 N 0.00 0.30 -0.40 4.08 5.03 -1.37 -2.12 116.97 122.48 1ni6 h TYR 114 Ca 0.00 -0.16 0.00 0.00 2.58 0.00 0.00 58.73 61.15 1ni6 h TYR 114 Cb 0.74 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.96 1ni6 h TYR 114 CO 0.00 0.97 0.26 0.28 -1.32 0.00 0.00 178.16 178.36 1ni6 h VAL 115 N -0.46 1.11 -0.42 1.81 2.07 -1.13 -2.11 116.25 117.12 1ni6 h VAL 115 Ca -0.04 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1ni6 h VAL 115 Cb 1.06 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 1ni6 h VAL 115 CO 0.06 0.10 0.09 0.50 0.02 0.00 0.00 177.57 178.34 1ni6 h LYS 116 N 0.54 0.22 -0.81 1.57 3.64 -0.86 -1.18 116.57 119.69 1ni6 h LYS 116 Ca 0.15 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1ni6 h LYS 116 Cb -0.06 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1ni6 h LYS 116 CO -0.03 0.14 0.43 -0.09 -2.27 0.00 0.00 179.45 177.63 1ni6 h ARG 117 N 0.23 1.14 -0.23 1.90 9.65 -1.06 -0.72 114.38 125.29 1ni6 h ARG 117 Ca 0.20 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 58.95 1ni6 h ARG 117 Cb 0.24 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1ni6 h ARG 117 CO -0.26 0.85 0.12 -0.07 2.80 0.00 0.00 179.97 183.41 1ni6 h LEU 118 N 1.13 0.18 -0.99 3.80 4.07 -0.72 -1.43 115.31 121.35 1ni6 h LEU 118 Ca 0.28 0.01 -0.05 0.00 0.08 0.00 0.00 57.88 58.21 1ni6 h LEU 118 Cb 0.06 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.74 1ni6 h LEU 118 CO -0.04 0.14 0.20 0.45 -1.08 0.00 0.00 178.44 178.11 1ni6 h HIS 119 N 0.25 0.95 0.36 1.13 3.86 -0.89 -0.64 115.15 120.18 1ni6 h HIS 119 Ca 0.09 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1ni6 h HIS 119 Cb 0.02 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.20 1ni6 h HIS 119 CO -0.09 0.76 -0.22 0.93 0.86 0.00 0.00 177.93 180.17 1ni6 h GLU 120 N 0.91 -0.53 -0.37 2.45 5.08 -0.75 -1.29 114.58 120.09 1ni6 h GLU 120 Ca 0.21 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1ni6 h GLU 120 Cb 0.25 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1ni6 h GLU 120 CO -0.01 -0.35 0.21 0.28 -1.00 0.00 0.00 179.01 178.14 1ni6 h VAL 121 N -0.55 1.13 -0.23 3.13 2.07 -1.13 -2.18 116.25 118.49 1ni6 h VAL 121 Ca -0.04 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1ni6 h VAL 121 Cb 0.45 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1ni6 h VAL 121 CO 0.04 0.13 -0.08 1.23 0.02 0.00 0.00 177.57 178.91 1ni6 h GLY 122 N 0.47 0.39 1.20 2.17 0.00 -1.03 0.30 103.07 106.57 1ni6 h GLY 122 Ca 0.13 -0.24 -0.31 0.00 0.00 0.00 0.00 47.33 46.90 1ni6 h GLY 122 CO -0.02 0.23 -1.55 3.21 0.00 0.00 0.00 176.54 178.40 1ni6 h ARG 123 N 0.35 0.30 0.00 4.80 3.08 -1.11 -3.40 114.38 118.40 1ni6 h ARG 123 Ca 0.07 -0.51 -0.17 0.00 0.07 0.00 0.00 59.98 59.44 1ni6 h ARG 123 Cb 0.37 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1ni6 h ARG 123 CO 0.02 1.18 -1.65 2.41 -1.07 0.00 0.00 179.97 180.86 1ni6 n THR 124 N -3.50 0.65 -3.25 2.04 -1.04 -0.83 -4.85 114.28 103.51 1ni6 n THR 124 Ca -0.18 -0.36 -0.25 0.00 -2.04 0.00 0.00 64.05 61.22 1ni6 n THR 124 Cb 1.05 -0.80 -0.06 0.00 -1.82 0.00 0.00 70.33 68.70 1ni6 n THR 124 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ni6 n GLU 125 N -2.47 1.87 0.23 -2.82 1.02 0.05 -4.93 120.64 113.59 1ni6 n GLU 125 Ca -0.17 -4.09 0.18 0.00 -0.02 0.00 0.00 57.16 53.07 1ni6 n GLU 125 Cb 0.78 -1.86 0.85 0.00 -0.02 0.00 0.00 31.44 31.19 1ni6 n GLU 125 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1ni6 h PRO 126 N 3.80 0.00 0.00 3.49 0.13 -1.64 -1.11 132.00 136.67 1ni6 h PRO 126 Ca 0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ni6 h PRO 126 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1ni6 h PRO 126 CO 0.67 0.00 -0.01 0.93 -0.23 0.00 0.00 178.00 179.36 1ni6 h GLU 127 N 0.00 0.00 -0.01 0.86 3.07 -1.90 -1.53 114.58 115.07 1ni6 h GLU 127 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1ni6 h GLU 127 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1ni6 h GLU 127 CO -0.00 0.01 -0.48 1.28 -1.40 0.00 0.00 179.01 178.43 1ni6 n LEU 128 N -3.29 1.30 -0.03 1.33 4.77 -0.42 -4.18 117.00 116.47 1ni6 n LEU 128 Ca -0.02 -0.43 0.03 0.00 -0.03 0.00 0.00 56.01 55.55 1ni6 n LEU 128 Cb 0.12 -0.08 0.39 0.00 -2.33 0.00 0.00 43.42 41.52 1ni6 n LEU 128 CO 0.23 0.26 1.16 0.25 -1.33 0.00 0.00 177.39 177.96 1ni6 h LEU 129 N 1.29 0.53 -1.45 2.23 5.85 -1.39 -2.18 115.31 120.20 1ni6 h LEU 129 Ca 0.00 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.85 1ni6 h LEU 129 Cb 0.59 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1ni6 h LEU 129 CO 0.00 0.40 0.54 0.58 -0.34 0.00 0.00 178.44 179.62 1ni6 h VAL 130 N 0.62 0.81 -0.60 1.05 2.07 -1.75 -0.81 116.25 117.65 1ni6 h VAL 130 Ca 0.17 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1ni6 h VAL 130 Cb -0.05 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1ni6 h VAL 130 CO -0.03 0.10 0.31 0.00 0.02 0.00 0.00 177.57 177.97 1ni6 h ALA 131 N 1.62 0.77 0.00 1.67 0.00 -1.68 0.38 119.26 122.03 1ni6 h ALA 131 Ca 0.41 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ni6 h ALA 131 Cb 0.79 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ni6 h ALA 131 CO -0.16 0.30 -0.00 0.45 0.00 0.00 0.00 179.25 179.84 1ni6 h HIS 132 N 0.81 -0.00 -0.39 0.00 -0.00 -1.40 -2.86 115.15 111.31 1ni6 h HIS 132 Ca 0.21 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.64 1ni6 h HIS 132 Cb 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.43 1ni6 h HIS 132 CO -0.01 0.65 0.07 0.00 -0.00 0.00 0.00 177.93 178.64 1ni6 h ALA 133 N 0.33 0.41 0.71 2.45 0.00 -1.14 0.12 119.26 122.14 1ni6 h ALA 133 Ca -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ni6 h ALA 133 Cb 0.66 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ni6 h ALA 133 CO 0.00 -0.33 -0.42 -0.92 0.00 0.00 0.00 179.25 177.58 1ni6 h TYR 134 N 0.19 -1.12 -0.62 0.00 3.20 -1.01 -0.02 116.97 117.59 1ni6 h TYR 134 Ca 0.19 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1ni6 h TYR 134 Cb 0.22 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 1ni6 h TYR 134 CO -0.20 -0.64 0.32 1.79 -1.64 0.00 0.00 178.16 177.79 1ni6 h THR 135 N -1.07 1.21 0.66 1.81 1.35 -1.39 -2.04 112.91 113.45 1ni6 h THR 135 Ca -0.09 -0.56 -0.03 0.00 -0.55 0.00 0.00 66.41 65.18 1ni6 h THR 135 Cb 0.85 0.43 0.01 0.00 -1.73 0.00 0.00 68.15 67.71 1ni6 h THR 135 CO 0.10 0.23 -0.32 0.03 -0.25 0.00 0.00 175.52 175.32 1ni6 h ARG 136 N 0.85 -0.86 0.96 4.72 2.47 -0.73 -1.74 114.38 120.04 1ni6 h ARG 136 Ca 0.22 0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.95 1ni6 h ARG 136 Cb 0.08 0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1ni6 h ARG 136 CO -0.03 -0.57 -0.46 1.88 0.56 0.00 0.00 179.97 181.35 1ni6 h TYR 137 N -1.20 -1.19 0.00 3.04 0.05 -1.06 -0.64 116.97 115.98 1ni6 h TYR 137 Ca -0.09 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.60 1ni6 h TYR 137 Cb 0.68 0.39 -0.01 0.00 1.01 0.00 0.00 36.73 38.81 1ni6 h TYR 137 CO 0.01 -0.74 -0.27 -0.07 -1.05 0.00 0.00 178.16 176.04 1ni6 h LEU 138 N -1.32 0.00 -0.15 3.88 4.07 -1.51 0.20 115.31 120.48 1ni6 h LEU 138 Ca -0.13 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.74 1ni6 h LEU 138 Cb 0.98 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.72 1ni6 h LEU 138 CO 0.22 0.27 -0.25 1.23 -1.08 0.00 0.00 178.44 178.83 1ni6 h GLY 139 N 1.04 0.47 1.12 0.83 0.00 -1.27 -1.75 103.07 103.50 1ni6 h GLY 139 Ca -0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 47.33 46.64 1ni6 h GLY 139 CO 0.03 0.48 -0.37 -0.55 0.00 0.00 0.00 176.54 176.14 1ni6 h ASP 140 N 0.04 0.99 -0.66 0.19 3.32 -0.81 -2.17 116.42 117.33 1ni6 h ASP 140 Ca 0.01 -0.46 0.02 0.00 0.02 0.00 0.00 57.03 56.62 1ni6 h ASP 140 Cb 0.82 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1ni6 h ASP 140 CO 0.06 1.25 0.43 0.25 -1.72 0.00 0.00 179.24 179.50 1ni6 h LEU 141 N 0.75 0.72 -0.50 1.55 5.85 -0.62 -0.37 115.31 122.70 1ni6 h LEU 141 Ca 0.06 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.61 1ni6 h LEU 141 Cb 0.96 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1ni6 h LEU 141 CO 0.09 0.51 -0.66 0.28 -0.34 0.00 0.00 178.44 178.32 1ni6 h SER 142 N 0.85 0.44 -0.01 1.25 0.02 -1.26 -3.31 113.55 111.53 1ni6 h SER 142 Ca 0.25 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ni6 h SER 142 Cb -0.05 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1ni6 h SER 142 CO -0.08 0.98 -0.23 0.61 -1.14 0.00 0.00 176.83 176.97 1ni6 n GLY 143 N 0.42 0.47 0.31 -3.77 0.00 -0.82 -4.66 105.19 97.13 1ni6 n GLY 143 Ca -0.03 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 1ni6 n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ni6 h GLY 144 N 4.79 -0.61 0.37 -0.02 0.00 -1.15 -2.48 103.07 103.96 1ni6 h GLY 144 Ca 0.00 0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.76 1ni6 h GLY 144 CO 0.00 -0.25 0.35 1.46 0.00 0.00 0.00 176.54 178.10 1ni6 h GLN 145 N -0.58 0.55 -0.29 4.80 1.08 -1.82 0.35 115.11 119.21 1ni6 h GLN 145 Ca -0.01 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1ni6 h GLN 145 Cb 0.54 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1ni6 h GLN 145 CO -0.07 0.36 0.07 0.28 -0.95 0.00 0.00 178.83 178.53 1ni6 h VAL 146 N 0.57 1.21 -0.34 -0.54 2.07 -1.87 -2.46 116.25 114.89 1ni6 h VAL 146 Ca 0.38 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 1ni6 h VAL 146 Cb 0.46 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1ni6 h VAL 146 CO -0.31 0.23 -0.09 -0.07 0.02 0.00 0.00 177.57 177.35 1ni6 h LEU 147 N 0.30 0.55 -0.26 2.57 3.38 -0.92 -2.47 115.31 118.46 1ni6 h LEU 147 Ca 0.09 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ni6 h LEU 147 Cb 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1ni6 h LEU 147 CO 0.00 0.68 0.16 0.50 0.09 0.00 0.00 178.44 179.87 1ni6 h LYS 148 N 0.53 0.35 -0.59 1.13 3.64 -0.10 -0.78 116.57 120.76 1ni6 h LYS 148 Ca 0.10 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1ni6 h LYS 148 Cb 0.47 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1ni6 h LYS 148 CO 0.03 0.27 0.29 0.87 -2.27 0.00 0.00 179.45 178.64 1ni6 h LYS 149 N 0.33 0.84 -0.52 1.90 1.57 -1.25 -0.67 116.57 118.78 1ni6 h LYS 149 Ca 0.09 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1ni6 h LYS 149 Cb 0.01 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 1ni6 h LYS 149 CO -0.02 0.68 0.30 0.82 -0.57 0.00 0.00 179.45 180.66 1ni6 h ILE 150 N 0.80 1.03 -0.24 1.86 2.04 -1.20 -0.31 117.51 121.48 1ni6 h ILE 150 Ca 0.20 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1ni6 h ILE 150 Cb 0.11 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1ni6 h ILE 150 CO -0.03 0.11 0.04 0.00 0.00 0.00 0.00 178.15 178.28 1ni6 h ALA 151 N 1.25 0.24 -0.52 1.87 0.00 -0.55 0.80 119.26 122.34 1ni6 h ALA 151 Ca 0.22 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1ni6 h ALA 151 Cb 0.06 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1ni6 h ALA 151 CO -0.11 -0.38 0.31 1.96 0.00 0.00 0.00 179.25 181.03 1ni6 h GLN 152 N 0.13 0.59 0.23 0.00 4.20 -0.58 -0.59 115.11 119.10 1ni6 h GLN 152 Ca 0.11 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1ni6 h GLN 152 Cb 0.11 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1ni6 h GLN 152 CO -0.15 0.39 -0.11 0.87 -0.67 0.00 0.00 178.83 179.16 1ni6 h LYS 153 N 0.61 -0.30 0.00 1.46 1.79 -0.67 -2.43 116.57 117.03 1ni6 h LYS 153 Ca 0.21 0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.61 1ni6 h LYS 153 Cb 0.03 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1ni6 h LYS 153 CO -0.10 0.03 -0.43 0.00 -1.08 0.00 0.00 179.45 177.87 1ni6 h ALA 154 N -0.03 1.07 0.00 3.86 0.00 -0.84 -3.31 119.26 120.01 1ni6 h ALA 154 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ni6 h ALA 154 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ni6 h ALA 154 CO 0.05 0.54 -1.57 1.28 0.00 0.00 0.00 179.25 179.55 1ni6 n LEU 155 N -3.72 0.42 -3.63 0.00 4.77 -0.23 -4.95 117.00 109.66 1ni6 n LEU 155 Ca -0.01 -0.21 -0.20 0.00 -0.03 0.00 0.00 56.01 55.56 1ni6 n LEU 155 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1ni6 n LEU 155 CO 0.38 0.11 -0.10 -0.67 -1.33 0.00 0.00 177.39 175.78 1ni6 n ASP 156 N -1.94 -5.52 -4.90 -1.43 -0.08 -0.91 -4.95 116.55 96.81 1ni6 n ASP 156 Ca -0.01 -0.78 -0.28 0.00 -1.51 0.00 0.00 54.79 52.22 1ni6 n ASP 156 Cb 0.47 -2.60 0.00 0.00 2.34 0.00 0.00 41.12 41.33 1ni6 n ASP 156 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 1ni6 s LEU 157 N -4.94 3.53 0.79 -2.67 2.34 -1.26 -5.07 118.68 111.40 1ni6 s LEU 157 Ca 0.05 0.96 -0.12 0.00 0.06 0.00 0.00 54.13 55.08 1ni6 s LEU 157 Cb -0.02 -3.90 0.07 0.00 -0.56 0.00 0.00 46.19 41.77 1ni6 s LEU 157 CO 0.86 -0.68 1.11 -2.16 -1.06 0.00 0.00 176.35 174.43 1ni6 s PRO 158 N -4.83 2.12 -1.18 1.48 0.04 -1.26 -4.88 135.00 126.49 1ni6 s PRO 158 Ca 0.49 0.47 -0.15 0.00 0.04 0.00 0.00 61.00 61.85 1ni6 s PRO 158 Cb -0.10 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1ni6 s PRO 158 CO 0.46 -1.56 2.21 0.43 0.04 0.00 0.00 177.00 178.58 1ni6 n SER 159 N -3.36 4.19 0.13 6.66 7.64 -1.26 -4.48 113.62 123.14 1ni6 n SER 159 Ca 0.07 -2.69 0.12 0.00 1.01 0.00 0.00 58.87 57.38 1ni6 n SER 159 Cb 0.58 -1.39 0.11 0.00 -1.01 0.00 0.00 64.21 62.49 1ni6 n SER 159 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1ni6 h SER 160 N 6.54 0.00 -0.13 6.43 4.64 -2.04 -3.47 113.55 125.51 1ni6 h SER 160 Ca 0.55 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.77 1ni6 h SER 160 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1ni6 h SER 160 CO 1.85 0.02 -0.05 0.61 -0.87 0.00 0.00 176.83 178.39 1ni6 n GLY 161 N 1.20 0.56 3.31 -0.77 0.00 -1.26 -4.98 105.19 103.24 1ni6 n GLY 161 Ca 0.02 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1ni6 n GLY 161 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ni6 s GLU 162 N -1.44 1.05 0.00 1.61 -1.05 -1.26 -4.97 118.70 112.64 1ni6 s GLU 162 Ca 0.00 -0.75 0.00 0.00 -0.15 0.00 0.00 54.97 54.07 1ni6 s GLU 162 Cb 0.00 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 1ni6 s GLU 162 CO 0.00 -0.40 0.00 0.41 0.95 0.00 0.00 175.26 176.22 1ni6 n GLY 163 N -0.20 2.06 0.79 -3.83 0.00 -1.26 -4.95 105.19 97.78 1ni6 n GLY 163 Ca -0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.92 1ni6 n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ni6 n LEU 164 N 0.00 1.84 -0.15 0.99 4.77 -1.26 -4.82 117.00 118.38 1ni6 n LEU 164 Ca 0.00 -2.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.09 1ni6 n LEU 164 Cb 0.00 -0.30 0.26 0.00 -2.33 0.00 0.00 43.42 41.06 1ni6 n LEU 164 CO 0.00 0.90 1.15 0.00 -1.33 0.00 0.00 177.39 178.11 1ni6 h ALA 165 N 0.74 1.44 -0.89 -1.18 0.00 -1.93 -2.36 119.26 115.08 1ni6 h ALA 165 Ca -0.07 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 54.98 1ni6 h ALA 165 Cb 1.32 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1ni6 h ALA 165 CO 0.03 0.47 0.62 0.35 0.00 0.00 0.00 179.25 180.72 1ni6 h PHE 166 N 0.86 0.26 0.00 0.00 3.57 -1.88 -0.38 116.94 119.37 1ni6 h PHE 166 Ca 0.22 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1ni6 h PHE 166 Cb 0.02 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1ni6 h PHE 166 CO 0.00 0.06 0.00 1.19 -2.23 0.00 0.00 178.31 177.33 1ni6 n PHE 167 N -4.39 0.00 -4.26 0.41 3.72 -0.89 -4.69 117.46 107.36 1ni6 n PHE 167 Ca 0.19 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.27 1ni6 n PHE 167 Cb 0.84 -0.08 -0.16 0.00 -0.94 0.00 0.00 39.48 39.14 1ni6 n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1ni6 s THR 168 N -2.16 1.90 -0.80 4.37 2.01 -0.15 -4.54 115.64 116.27 1ni6 s THR 168 Ca 0.43 -0.85 -0.16 0.00 0.31 0.00 0.00 61.69 61.41 1ni6 s THR 168 Cb 0.21 -1.72 0.18 0.00 0.01 0.00 0.00 72.50 71.18 1ni6 s THR 168 CO 0.39 0.52 0.82 -0.36 -0.69 0.00 0.00 174.62 175.30 1ni6 s PHE 169 N 1.19 3.50 0.42 4.92 0.40 -1.26 -4.92 117.98 122.22 1ni6 s PHE 169 Ca 0.01 -1.69 0.17 0.00 -0.60 0.00 0.00 56.93 54.82 1ni6 s PHE 169 Cb -0.14 -3.94 1.06 0.00 0.51 0.00 0.00 43.02 40.51 1ni6 s PHE 169 CO -0.09 -1.14 1.87 -1.35 0.70 0.00 0.00 175.22 175.22 1ni6 h PRO 170 N 8.26 0.41 -0.66 0.24 0.11 -1.93 -2.72 132.00 135.72 1ni6 h PRO 170 Ca 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1ni6 h PRO 170 Cb 1.05 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1ni6 h PRO 170 CO 0.89 0.27 0.00 0.09 -0.21 0.00 0.00 178.00 179.05 1ni6 n ASN 171 N -4.51 4.14 -3.99 -2.05 5.03 -1.26 -4.76 115.26 107.86 1ni6 n ASN 171 Ca 0.18 -2.52 -0.31 0.00 0.87 0.00 0.00 54.58 52.80 1ni6 n ASN 171 Cb 0.65 -0.57 -0.15 0.00 -1.02 0.00 0.00 39.78 38.68 1ni6 n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ni6 s ILE 172 N -2.05 1.73 -0.04 2.41 1.01 -1.03 -4.67 121.20 118.57 1ni6 s ILE 172 Ca 0.40 -1.28 -0.22 0.00 0.00 0.00 0.00 60.65 59.54 1ni6 s ILE 172 Cb 0.28 -1.91 -0.16 0.00 0.01 0.00 0.00 42.46 40.68 1ni6 s ILE 172 CO 0.15 -0.01 0.99 0.00 0.00 0.00 0.00 174.94 176.07 1ni6 h ALA 173 N 7.91 -0.23 -3.76 9.38 0.00 -1.86 -3.42 119.26 127.28 1ni6 h ALA 173 Ca -0.21 -0.22 -0.67 0.00 0.00 0.00 0.00 54.91 53.81 1ni6 h ALA 173 Cb 1.07 0.09 -0.36 0.00 0.00 0.00 0.00 17.79 18.59 1ni6 h ALA 173 CO 0.44 -0.35 -0.77 0.45 0.00 0.00 0.00 179.25 179.03 1ni6 s SER 174 N -5.42 4.59 0.26 0.00 0.15 -1.26 -4.98 113.70 107.03 1ni6 s SER 174 Ca -0.13 -1.39 -0.03 0.00 0.70 0.00 0.00 55.95 55.10 1ni6 s SER 174 Cb 0.01 -1.60 0.41 0.00 -1.71 0.00 0.00 66.02 63.13 1ni6 s SER 174 CO 0.51 -0.22 1.86 0.00 1.20 0.00 0.00 173.24 176.60 1ni6 h ALA 175 N 7.83 1.34 -0.39 5.45 0.00 -1.99 -0.73 119.26 130.79 1ni6 h ALA 175 Ca -0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1ni6 h ALA 175 Cb 1.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1ni6 h ALA 175 CO 0.48 0.34 0.14 1.79 0.00 0.00 0.00 179.25 182.00 1ni6 h THR 176 N 1.06 1.20 -0.25 0.00 1.35 -1.99 -1.01 112.91 113.27 1ni6 h THR 176 Ca 0.43 -0.63 -0.11 0.00 -0.55 0.00 0.00 66.41 65.55 1ni6 h THR 176 Cb 0.24 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 1ni6 h THR 176 CO -0.20 0.22 -0.31 0.11 -0.25 0.00 0.00 175.52 175.10 1ni6 h LYS 177 N 0.48 0.52 -0.23 4.72 1.57 -1.88 -2.33 116.57 119.42 1ni6 h LYS 177 Ca 0.13 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1ni6 h LYS 177 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1ni6 h LYS 177 CO -0.01 0.77 -0.02 0.35 -0.57 0.00 0.00 179.45 179.98 1ni6 h PHE 178 N 0.45 0.47 -0.36 -1.35 3.57 -0.91 -2.09 116.94 116.72 1ni6 h PHE 178 Ca 0.06 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1ni6 h PHE 178 Cb 0.77 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1ni6 h PHE 178 CO 0.03 0.62 0.21 0.87 -2.23 0.00 0.00 178.31 177.81 1ni6 h LYS 179 N 0.18 0.48 -0.59 1.11 1.57 -1.14 0.13 116.57 118.30 1ni6 h LYS 179 Ca 0.06 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1ni6 h LYS 179 Cb 0.45 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1ni6 h LYS 179 CO 0.02 0.34 0.17 1.96 -0.57 0.00 0.00 179.45 181.36 1ni6 h GLN 180 N 0.49 0.93 -0.24 3.15 4.20 -1.14 -1.03 115.11 121.47 1ni6 h GLN 180 Ca 0.13 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1ni6 h GLN 180 Cb -0.01 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1ni6 h GLN 180 CO -0.02 0.85 -0.13 1.25 -0.67 0.00 0.00 178.83 180.11 1ni6 h LEU 181 N 0.85 0.53 -0.30 1.46 5.85 -0.55 -2.38 115.31 120.77 1ni6 h LEU 181 Ca 0.19 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1ni6 h LEU 181 Cb 0.32 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1ni6 h LEU 181 CO -0.00 0.83 0.17 0.22 -0.34 0.00 0.00 178.44 179.32 1ni6 h TYR 182 N 0.23 0.40 -0.69 1.25 5.03 -0.64 -1.36 116.97 121.19 1ni6 h TYR 182 Ca 0.05 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 1ni6 h TYR 182 Cb 0.64 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.75 1ni6 h TYR 182 CO 0.06 0.32 0.35 0.00 -1.32 0.00 0.00 178.16 177.56 1ni6 h ARG 183 N 0.37 0.97 -0.12 1.82 3.08 -1.22 -0.34 114.38 118.95 1ni6 h ARG 183 Ca 0.11 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ni6 h ARG 183 Cb 0.04 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1ni6 h ARG 183 CO -0.02 0.74 0.07 1.03 -1.07 0.00 0.00 179.97 180.72 1ni6 h SER 184 N 0.97 0.14 -0.35 7.04 0.87 -0.93 1.01 113.55 122.31 1ni6 h SER 184 Ca 0.24 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1ni6 h SER 184 Cb 0.07 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1ni6 h SER 184 CO -0.03 0.13 0.14 0.03 -0.53 0.00 0.00 176.83 176.57 1ni6 h ARG 185 N 0.13 0.51 -0.64 2.24 2.47 -0.90 -1.53 114.38 116.67 1ni6 h ARG 185 Ca 0.04 -0.09 -0.08 0.00 -1.26 0.00 0.00 59.98 58.59 1ni6 h ARG 185 Cb 0.01 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.22 1ni6 h ARG 185 CO -0.01 0.50 0.08 1.98 0.56 0.00 0.00 179.97 183.08 1ni6 h MET 186 N 0.42 1.07 0.00 0.04 4.05 -0.78 -2.89 114.93 116.83 1ni6 h MET 186 Ca 0.12 -0.29 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1ni6 h MET 186 Cb 0.17 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1ni6 h MET 186 CO -0.01 0.99 0.00 -0.91 0.23 0.00 0.00 176.91 177.21 1ni6 h ASN 187 N 1.00 0.00 -0.59 1.39 2.35 0.13 -2.76 115.58 117.10 1ni6 h ASN 187 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1ni6 h ASN 187 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1ni6 h ASN 187 CO 0.02 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.26 1ni6 n SER 188 N -3.04 4.77 -4.67 5.81 3.41 -0.59 -4.67 113.62 114.64 1ni6 n SER 188 Ca 0.01 -2.56 -0.43 0.00 -0.26 0.00 0.00 58.87 55.64 1ni6 n SER 188 Cb 0.35 -0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 1ni6 n SER 188 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ni6 s LEU 189 N -2.04 4.17 -0.59 1.04 2.96 -1.04 -4.97 118.68 118.20 1ni6 s LEU 189 Ca 0.50 1.46 -0.27 0.00 -0.22 0.00 0.00 54.13 55.60 1ni6 s LEU 189 Cb 0.33 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 1ni6 s LEU 189 CO 0.21 -0.57 1.90 -0.70 -1.32 0.00 0.00 176.35 175.87 1ni6 s GLU 190 N 2.68 2.62 -0.02 1.98 2.12 -1.26 -4.97 118.70 121.86 1ni6 s GLU 190 Ca 0.46 0.72 -0.05 0.00 0.36 0.00 0.00 54.97 56.46 1ni6 s GLU 190 Cb -0.17 -4.39 0.00 0.00 0.26 0.00 0.00 34.13 29.83 1ni6 s GLU 190 CO 0.12 -2.73 0.11 0.00 -0.54 0.00 0.00 175.26 172.22 1ni6 s MET 191 N 7.06 0.31 0.55 4.30 0.23 -1.26 -5.04 119.30 125.45 1ni6 s MET 191 Ca 0.70 -0.18 -0.20 0.00 -1.03 0.00 0.00 55.69 54.99 1ni6 s MET 191 Cb -0.13 0.13 -0.05 0.00 -1.53 0.00 0.00 34.83 33.25 1ni6 s MET 191 CO 0.22 -0.06 1.19 0.99 -2.03 0.00 0.00 175.02 175.32 1ni6 s THR 192 N -0.76 2.85 -0.06 3.16 2.01 -1.26 -4.74 115.64 116.83 1ni6 s THR 192 Ca -0.08 0.55 0.26 0.00 0.31 0.00 0.00 61.69 62.73 1ni6 s THR 192 Cb -0.05 -3.24 0.26 0.00 0.01 0.00 0.00 72.50 69.48 1ni6 s THR 192 CO 0.01 -0.09 1.79 -0.65 -0.69 0.00 0.00 174.62 174.99 1ni6 h PRO 193 N 1.23 0.00 0.15 4.92 0.11 -2.01 1.25 132.00 137.66 1ni6 h PRO 193 Ca -0.50 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.30 1ni6 h PRO 193 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ni6 h PRO 193 CO 0.57 0.00 -1.57 0.00 -0.21 0.00 0.00 178.00 176.79 1ni6 h ALA 194 N 2.01 0.15 -0.23 -0.75 0.00 -1.99 -2.76 119.26 115.69 1ni6 h ALA 194 Ca 0.00 -1.10 -0.17 0.00 0.00 0.00 0.00 54.91 53.64 1ni6 h ALA 194 Cb 0.03 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ni6 h ALA 194 CO 0.00 0.91 -0.53 0.28 0.00 0.00 0.00 179.25 179.91 1ni6 h VAL 195 N -0.09 1.30 -0.55 0.00 2.07 -1.43 -2.76 116.25 114.79 1ni6 h VAL 195 Ca -0.32 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.45 1ni6 h VAL 195 Cb 1.93 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 33.37 1ni6 h VAL 195 CO 0.12 0.55 0.34 -0.09 0.02 0.00 0.00 177.57 178.52 1ni6 h ARG 196 N 0.52 0.73 -0.21 1.57 2.43 0.14 -1.44 114.38 118.12 1ni6 h ARG 196 Ca 0.02 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 58.96 1ni6 h ARG 196 Cb 1.09 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1ni6 h ARG 196 CO 0.11 0.50 -0.55 0.37 -1.51 0.00 0.00 179.97 178.89 1ni6 h GLN 197 N 0.75 0.64 -0.69 0.20 -0.00 -1.24 -2.33 115.11 112.44 1ni6 h GLN 197 Ca 0.20 -0.40 -0.07 0.00 -0.00 0.00 0.00 58.65 58.37 1ni6 h GLN 197 Cb -0.05 0.05 -0.03 0.00 0.00 0.00 0.00 27.48 27.45 1ni6 h GLN 197 CO -0.04 1.02 0.14 0.00 0.00 0.00 0.00 178.83 179.95 1ni6 h ARG 198 N 0.49 1.12 -0.42 1.69 3.08 -1.06 -1.18 114.38 118.09 1ni6 h ARG 198 Ca 0.01 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1ni6 h ARG 198 Cb 1.11 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1ni6 h ARG 198 CO 0.11 1.00 0.14 0.28 -1.07 0.00 0.00 179.97 180.42 1ni6 h VAL 199 N 1.05 1.22 -0.58 2.04 2.07 -1.18 0.11 116.25 120.98 1ni6 h VAL 199 Ca 0.21 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1ni6 h VAL 199 Cb 0.40 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1ni6 h VAL 199 CO 0.01 0.25 0.15 0.40 0.02 0.00 0.00 177.57 178.40 1ni6 h ILE 200 N 0.54 1.23 -0.37 4.57 2.04 -1.25 -0.66 117.51 123.61 1ni6 h ILE 200 Ca 0.14 -0.84 -0.11 0.00 1.00 0.00 0.00 64.86 65.05 1ni6 h ILE 200 Cb 0.25 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1ni6 h ILE 200 CO -0.01 0.32 -0.20 -0.08 0.00 0.00 0.00 178.15 178.18 1ni6 h GLU 201 N 0.87 0.72 0.00 2.37 4.57 -0.81 -2.40 114.58 119.90 1ni6 h GLU 201 Ca 0.19 -0.28 -0.11 0.00 -1.18 0.00 0.00 59.36 57.99 1ni6 h GLU 201 Cb 0.30 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1ni6 h GLU 201 CO -0.00 0.87 -0.51 1.49 -1.18 0.00 0.00 179.01 179.68 1ni6 h GLU 202 N 0.64 0.00 -0.64 1.92 4.57 -0.17 -1.47 114.58 119.43 1ni6 h GLU 202 Ca 0.09 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1ni6 h GLU 202 Cb 0.69 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 1ni6 h GLU 202 CO 0.05 0.51 0.16 0.00 -1.18 0.00 0.00 179.01 178.55 1ni6 h ALA 203 N 1.49 1.07 -0.35 2.92 0.00 -0.78 -0.02 119.26 123.59 1ni6 h ALA 203 Ca -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ni6 h ALA 203 Cb 1.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1ni6 h ALA 203 CO 0.07 0.62 0.20 0.87 0.00 0.00 0.00 179.25 181.00 1ni6 h LYS 204 N 0.96 0.48 -0.60 0.00 1.79 -0.91 -2.46 116.57 115.83 1ni6 h LYS 204 Ca 0.20 -0.05 0.08 0.00 -2.18 0.00 0.00 60.65 58.71 1ni6 h LYS 204 Cb 0.34 -0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 30.82 1ni6 h LYS 204 CO -0.00 0.38 0.24 1.15 -1.08 0.00 0.00 179.45 180.14 1ni6 h THR 205 N 0.44 0.81 -0.16 -0.16 2.02 -0.48 0.08 112.91 115.46 1ni6 h THR 205 Ca 0.12 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.20 1ni6 h THR 205 Cb 0.04 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.74 1ni6 h THR 205 CO -0.02 0.08 -0.13 0.00 0.37 0.00 0.00 175.52 175.82 1ni6 h ALA 206 N 1.39 -0.01 -0.67 6.16 0.00 -0.63 0.26 119.26 125.76 1ni6 h ALA 206 Ca 0.29 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1ni6 h ALA 206 Cb 0.33 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1ni6 h ALA 206 CO -0.28 -0.57 0.23 0.74 0.00 0.00 0.00 179.25 179.38 1ni6 h PHE 207 N -0.14 1.06 -0.55 0.00 -1.00 -0.98 -2.15 116.94 113.18 1ni6 h PHE 207 Ca 0.10 -0.10 -0.05 0.00 2.81 0.00 0.00 57.97 60.74 1ni6 h PHE 207 Cb 0.29 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.51 1ni6 h PHE 207 CO -0.26 0.84 0.15 -0.07 -1.61 0.00 0.00 178.31 177.36 1ni6 h LEU 208 N 0.97 0.77 -1.04 1.54 3.38 -0.35 -0.54 115.31 120.03 1ni6 h LEU 208 Ca 0.22 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1ni6 h LEU 208 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1ni6 h LEU 208 CO -0.01 0.74 0.02 -0.07 0.09 0.00 0.00 178.44 179.21 1ni6 h LEU 209 N 0.80 0.67 -0.44 1.67 3.38 -0.14 -1.42 115.31 119.83 1ni6 h LEU 209 Ca 0.18 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 1ni6 h LEU 209 Cb 0.26 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ni6 h LEU 209 CO -0.01 0.73 -0.52 0.78 0.09 0.00 0.00 178.44 179.52 1ni6 h ASN 210 N 0.67 0.79 -0.34 -0.43 2.35 -0.73 -2.31 115.58 115.58 1ni6 h ASN 210 Ca 0.14 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.46 1ni6 h ASN 210 Cb 0.38 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1ni6 h ASN 210 CO 0.01 1.16 0.12 0.40 -1.65 0.00 0.00 177.43 177.47 1ni6 h ILE 211 N 0.56 1.20 0.00 2.81 2.04 -0.69 0.16 117.51 123.59 1ni6 h ILE 211 Ca 0.02 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 1ni6 h ILE 211 Cb 1.08 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1ni6 h ILE 211 CO 0.11 0.22 -0.24 0.06 0.00 0.00 0.00 178.15 178.29 1ni6 h GLN 212 N 0.40 0.00 -0.08 2.37 -0.00 -1.27 -0.35 115.11 116.19 1ni6 h GLN 212 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.74 1ni6 h GLN 212 Cb 0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.70 1ni6 h GLN 212 CO -0.01 0.24 -0.05 1.25 -0.00 0.00 0.00 178.83 180.27 1ni6 h LEU 213 N 0.00 0.18 -0.59 0.06 5.85 -0.87 -2.16 115.31 117.78 1ni6 h LEU 213 Ca -0.00 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.32 1ni6 h LEU 213 Cb 0.44 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1ni6 h LEU 213 CO 0.03 0.57 0.35 -0.26 -0.34 0.00 0.00 178.44 178.80 1ni6 h PHE 214 N -0.21 0.66 -0.91 1.25 0.04 -0.53 0.00 116.94 117.24 1ni6 h PHE 214 Ca 0.02 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.83 1ni6 h PHE 214 Cb 0.51 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 1ni6 h PHE 214 CO 0.07 0.36 0.60 0.93 -0.60 0.00 0.00 178.31 179.67 1ni6 h GLU 215 N 0.69 1.15 -0.11 1.51 5.08 -1.05 -1.51 114.58 120.34 1ni6 h GLU 215 Ca 0.24 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1ni6 h GLU 215 Cb 0.05 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1ni6 h GLU 215 CO -0.12 0.76 -0.07 1.49 -1.00 0.00 0.00 179.01 180.07 1ni6 h GLU 216 N 1.19 0.25 -1.00 2.33 4.81 -0.65 -2.27 114.58 119.24 1ni6 h GLU 216 Ca 0.35 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 1ni6 h GLU 216 Cb -0.07 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.24 1ni6 h GLU 216 CO -0.10 0.62 0.65 -0.07 -0.73 0.00 0.00 179.01 179.38 1ni6 h LEU 217 N -0.12 1.03 -0.47 1.64 3.38 -0.86 0.65 115.31 120.56 1ni6 h LEU 217 Ca 0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ni6 h LEU 217 Cb 0.55 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1ni6 h LEU 217 CO 0.02 0.65 0.22 -0.61 0.09 0.00 0.00 178.44 178.81 1ni6 h GLN 218 N 1.16 0.68 -0.06 1.13 5.75 -1.23 -1.65 115.11 120.88 1ni6 h GLN 218 Ca 0.44 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1ni6 h GLN 218 Cb 0.19 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 1ni6 h GLN 218 CO -0.18 0.58 0.04 1.49 -2.65 0.00 0.00 178.83 178.11 1ni6 h GLU 219 N 0.62 0.09 -0.30 1.69 4.57 -0.70 -1.80 114.58 118.75 1ni6 h GLU 219 Ca 0.16 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.38 1ni6 h GLU 219 Cb 0.13 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 1ni6 h GLU 219 CO -0.02 0.12 0.04 -0.07 -1.18 0.00 0.00 179.01 177.90 1ni6 h LEU 220 N 0.03 -0.02 -0.59 1.64 3.38 -0.72 -1.91 115.31 117.11 1ni6 h LEU 220 Ca 0.02 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1ni6 h LEU 220 Cb 0.06 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1ni6 h LEU 220 CO -0.00 0.02 0.18 -0.07 0.09 0.00 0.00 178.44 178.66 1ni6 h LEU 221 N 0.15 0.87 -0.75 1.67 3.38 -1.19 -2.93 115.31 116.50 1ni6 h LEU 221 Ca 0.14 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ni6 h LEU 221 Cb 0.16 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1ni6 h LEU 221 CO -0.20 0.85 0.00 0.71 0.09 0.00 0.00 178.44 179.89 1ni6 h THR 222 N 0.85 0.00 -0.26 0.22 1.35 -1.05 -3.28 112.91 110.74 1ni6 h THR 222 Ca 0.19 -0.41 -0.20 0.00 -0.55 0.00 0.00 66.41 65.45 1ni6 h THR 222 Cb 0.30 1.28 -0.18 0.00 -1.73 0.00 0.00 68.15 67.81 1ni6 h THR 222 CO -0.00 0.00 -0.66 1.41 -0.25 0.00 0.00 175.52 176.01 1ni6 n HIS 223 N -2.55 0.94 0.43 4.73 8.25 -0.74 -5.09 115.22 121.19 1ni6 n HIS 223 Ca 0.02 -1.69 0.05 0.00 -0.26 0.00 0.00 57.72 55.85 1ni6 n HIS 223 Cb 0.31 -0.27 0.04 0.00 1.12 0.00 0.00 29.99 31.19 1ni6 n HIS 223 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73