#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni5 n THR 2 N 0.00 0.00 0.04 2.46 -2.24 -1.26 -0.15 114.28 113.13 1ni5 n THR 2 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1ni5 n THR 2 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 1ni5 n THR 2 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1ni5 h LEU 3 N 0.00 -0.46 -1.07 3.22 5.85 -2.02 -1.59 115.31 119.23 1ni5 h LEU 3 Ca 0.00 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.87 1ni5 h LEU 3 Cb 0.00 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1ni5 h LEU 3 CO 0.00 -0.21 0.62 0.74 -0.34 0.00 0.00 178.44 179.25 1ni5 h THR 4 N -0.24 1.04 0.35 1.05 2.02 -1.00 -2.97 112.91 113.16 1ni5 h THR 4 Ca 0.06 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1ni5 h THR 4 Cb 0.33 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1ni5 h THR 4 CO -0.18 0.19 -0.21 -0.07 0.37 0.00 0.00 175.52 175.63 1ni5 h LEU 5 N 1.07 -0.51 -1.17 2.58 3.38 -1.55 -2.94 115.31 116.17 1ni5 h LEU 5 Ca 0.43 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.38 1ni5 h LEU 5 Cb 0.27 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1ni5 h LEU 5 CO -0.18 -0.33 0.09 -0.55 0.09 0.00 0.00 178.44 177.56 1ni5 h ASN 6 N -0.53 0.62 -0.57 -0.43 7.08 -1.26 -1.35 115.58 119.15 1ni5 h ASN 6 Ca -0.04 -0.10 -0.03 0.00 -3.08 0.00 0.00 56.30 53.05 1ni5 h ASN 6 Cb 0.43 -0.16 -0.03 0.00 -2.08 0.00 0.00 38.32 36.48 1ni5 h ASN 6 CO 0.05 0.63 0.24 -0.09 -2.08 0.00 0.00 177.43 176.17 1ni5 h ARG 7 N 0.65 0.84 0.00 4.14 2.43 -1.51 -0.40 114.38 120.54 1ni5 h ARG 7 Ca 0.15 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ni5 h ARG 7 Cb 0.27 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1ni5 h ARG 7 CO -0.00 0.72 0.00 1.96 -1.51 0.00 0.00 179.97 181.14 1ni5 h GLN 8 N 0.78 0.00 -0.24 0.20 4.20 -1.31 -3.28 115.11 115.46 1ni5 h GLN 8 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1ni5 h GLN 8 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1ni5 h GLN 8 CO -0.02 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.42 1ni5 n LEU 9 N -2.83 2.66 -0.06 1.46 4.77 -0.53 -4.65 117.00 117.82 1ni5 n LEU 9 Ca 0.03 -1.55 -0.07 0.00 -0.03 0.00 0.00 56.01 54.39 1ni5 n LEU 9 Cb 0.43 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1ni5 n LEU 9 CO 0.30 0.60 0.80 -0.07 -1.33 0.00 0.00 177.39 177.70 1ni5 h LEU 10 N 2.52 -0.30 -1.47 2.23 3.38 -1.15 -1.73 115.31 118.79 1ni5 h LEU 10 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ni5 h LEU 10 Cb 0.68 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1ni5 h LEU 10 CO 0.00 -0.11 0.00 0.35 0.09 0.00 0.00 178.44 178.77 1ni5 n THR 11 N -5.25 0.34 -3.90 0.22 -2.24 -1.26 -4.74 114.28 97.44 1ni5 n THR 11 Ca -0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 1ni5 n THR 11 Cb 0.17 -0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 67.68 1ni5 n THR 11 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ni5 s SER 12 N 0.32 0.07 -0.00 3.42 0.01 -0.65 -5.04 113.70 111.83 1ni5 s SER 12 Ca 0.00 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1ni5 s SER 12 Cb 0.00 0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.28 1ni5 s SER 12 CO 0.00 -0.11 -0.00 0.54 0.41 0.00 0.00 173.24 174.08 1ni5 n ARG 13 N 2.56 1.71 -3.95 12.44 3.00 -1.26 -4.99 116.66 126.16 1ni5 n ARG 13 Ca -0.16 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.33 1ni5 n ARG 13 Cb 0.58 -1.00 -0.14 0.00 0.00 0.00 0.00 32.46 31.90 1ni5 n ARG 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1ni5 s GLN 14 N -2.00 2.72 0.14 5.56 -0.21 -1.26 -2.56 119.66 122.05 1ni5 s GLN 14 Ca -0.00 -1.06 0.06 0.00 0.02 0.00 0.00 55.36 54.38 1ni5 s GLN 14 Cb 0.00 -3.04 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 1ni5 s GLN 14 CO 0.00 -0.46 0.03 0.42 -2.12 0.00 0.00 175.29 173.16 1ni5 s ILE 15 N 1.30 4.00 -0.15 1.08 1.09 -0.95 0.16 121.20 127.73 1ni5 s ILE 15 Ca -0.01 -1.20 -0.05 0.00 -1.10 0.00 0.00 60.65 58.29 1ni5 s ILE 15 Cb -0.18 -2.98 0.06 0.00 -1.06 0.00 0.00 42.46 38.30 1ni5 s ILE 15 CO -0.03 -0.03 0.09 -0.22 -0.10 0.00 0.00 174.94 174.64 1ni5 s LEU 16 N -2.77 0.32 -0.23 2.97 1.98 -0.56 -0.41 118.68 119.98 1ni5 s LEU 16 Ca 0.28 -0.52 -0.09 0.00 -2.89 0.00 0.00 54.13 50.91 1ni5 s LEU 16 Cb -0.10 -0.23 -0.05 0.00 0.66 0.00 0.00 46.19 46.47 1ni5 s LEU 16 CO 0.20 -0.34 0.13 0.54 -1.89 0.00 0.00 176.35 174.99 1ni5 s VAL 17 N 2.14 5.10 -0.30 1.68 0.11 0.59 -1.23 120.40 128.48 1ni5 s VAL 17 Ca 0.02 0.09 -0.28 0.00 -2.93 0.00 0.00 61.98 58.88 1ni5 s VAL 17 Cb -0.15 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.30 1ni5 s VAL 17 CO -0.08 0.37 2.08 0.00 -3.33 0.00 0.00 175.10 174.14 1ni5 s ALA 18 N 0.95 2.65 -0.47 1.54 0.00 -0.93 -1.77 121.76 123.72 1ni5 s ALA 18 Ca 0.06 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 1ni5 s ALA 18 Cb -0.13 -4.09 0.13 0.00 0.00 0.00 0.00 23.12 19.02 1ni5 s ALA 18 CO 0.03 -2.94 0.27 0.12 0.00 0.00 0.00 175.76 173.24 1ni5 s PHE 19 N 8.23 3.53 0.32 0.00 5.36 -0.29 -4.62 117.98 130.50 1ni5 s PHE 19 Ca 0.92 -2.52 -0.02 0.00 -0.96 0.00 0.00 56.93 54.34 1ni5 s PHE 19 Cb -0.27 -3.21 -0.04 0.00 -0.34 0.00 0.00 43.02 39.16 1ni5 s PHE 19 CO 0.33 -0.93 0.55 -1.54 -1.46 0.00 0.00 175.22 172.17 1ni5 s SER 20 N 1.45 6.37 0.63 6.13 1.04 -1.26 -3.90 113.70 124.16 1ni5 s SER 20 Ca 0.11 0.59 0.37 0.00 0.48 0.00 0.00 55.95 57.50 1ni5 s SER 20 Cb -0.22 -2.09 1.99 0.00 0.10 0.00 0.00 66.02 65.80 1ni5 s SER 20 CO -0.04 -0.24 2.12 1.23 0.98 0.00 0.00 173.24 177.29 1ni5 h GLY 21 N 1.26 0.00 -1.87 7.32 0.00 -1.92 -3.40 103.07 104.46 1ni5 h GLY 21 Ca -0.48 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.35 1ni5 h GLY 21 CO 0.64 0.00 -1.39 0.61 0.00 0.00 0.00 176.54 176.40 1ni5 n GLY 22 N -1.15 -2.75 0.00 4.60 0.00 -1.25 -3.13 105.19 101.51 1ni5 n GLY 22 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1ni5 n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ni5 n LEU 23 N 0.05 0.00 -0.32 0.99 7.94 -1.25 0.12 117.00 124.52 1ni5 n LEU 23 Ca 0.01 0.87 0.16 0.00 -1.11 0.00 0.00 56.01 55.94 1ni5 n LEU 23 Cb 0.62 -0.37 0.32 0.00 0.53 0.00 0.00 43.42 44.52 1ni5 n LEU 23 CO 0.50 -0.37 0.87 -2.24 -1.11 0.00 0.00 177.39 175.03 1ni5 h ASP 24 N 0.00 -0.26 -0.19 1.96 -0.00 -1.93 0.75 116.42 116.75 1ni5 h ASP 24 Ca 0.00 0.25 -0.05 0.00 -0.00 0.00 0.00 57.03 57.23 1ni5 h ASP 24 Cb 0.00 0.40 -0.01 0.00 -0.00 0.00 0.00 39.33 39.73 1ni5 h ASP 24 CO 0.00 -0.31 -0.08 0.28 -0.00 0.00 0.00 179.24 179.13 1ni5 h SER 25 N 0.06 0.40 -0.90 4.15 0.02 -1.76 0.10 113.55 115.62 1ni5 h SER 25 Ca 0.61 -0.40 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1ni5 h SER 25 Cb 1.29 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 1ni5 h SER 25 CO -0.82 0.71 0.59 0.74 -1.14 0.00 0.00 176.83 176.91 1ni5 h THR 26 N 0.08 1.23 -0.17 -2.27 2.02 0.39 0.44 112.91 114.65 1ni5 h THR 26 Ca 0.04 -0.43 -0.20 0.00 0.77 0.00 0.00 66.41 66.60 1ni5 h THR 26 Cb 0.56 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1ni5 h THR 26 CO 0.03 0.23 -0.68 0.58 0.37 0.00 0.00 175.52 176.04 1ni5 h VAL 27 N 1.22 1.31 -0.14 3.16 2.07 0.28 -1.37 116.25 122.79 1ni5 h VAL 27 Ca 0.33 -1.94 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 1ni5 h VAL 27 Cb -0.13 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1ni5 h VAL 27 CO -0.07 0.61 -0.04 0.25 0.02 0.00 0.00 177.57 178.33 1ni5 h LEU 28 N 0.48 0.27 -0.33 2.57 5.85 -0.39 -2.40 115.31 121.36 1ni5 h LEU 28 Ca -0.02 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1ni5 h LEU 28 Cb 1.28 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1ni5 h LEU 28 CO 0.13 0.60 0.07 0.25 -0.34 0.00 0.00 178.44 179.15 1ni5 h LEU 29 N -0.05 0.51 -1.10 2.25 5.85 -0.18 -1.38 115.31 121.21 1ni5 h LEU 29 Ca 0.03 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1ni5 h LEU 29 Cb 0.48 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1ni5 h LEU 29 CO 0.02 0.61 0.61 -0.74 -0.34 0.00 0.00 178.44 178.60 1ni5 h HIS 30 N 0.38 1.13 -0.19 1.25 2.76 -1.28 0.07 115.15 119.26 1ni5 h HIS 30 Ca 0.10 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.22 1ni5 h HIS 30 Cb 0.31 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1ni5 h HIS 30 CO 0.02 0.66 -0.24 1.96 -1.30 0.00 0.00 177.93 179.02 1ni5 h GLN 31 N 1.17 0.35 -0.04 5.26 4.20 -1.19 -0.99 115.11 123.87 1ni5 h GLN 31 Ca 0.37 -0.12 -0.22 0.00 0.06 0.00 0.00 58.65 58.74 1ni5 h GLN 31 Cb 0.01 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1ni5 h GLN 31 CO -0.11 0.57 -0.87 -0.07 -0.67 0.00 0.00 178.83 177.68 1ni5 h LEU 32 N 0.31 0.61 -1.21 1.46 3.38 -0.05 0.14 115.31 119.96 1ni5 h LEU 32 Ca 0.05 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 1ni5 h LEU 32 Cb 0.60 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1ni5 h LEU 32 CO 0.04 1.23 -0.24 0.58 0.09 0.00 0.00 178.44 180.14 1ni5 h VAL 33 N 0.30 0.64 -0.04 1.22 2.07 -0.86 0.42 116.25 120.01 1ni5 h VAL 33 Ca -0.07 -1.11 -0.17 0.00 0.82 0.00 0.00 66.70 66.16 1ni5 h VAL 33 Cb 1.48 1.73 0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1ni5 h VAL 33 CO 0.16 0.24 -0.65 -0.61 0.02 0.00 0.00 177.57 176.72 1ni5 h GLN 34 N 0.00 0.52 -0.57 1.57 5.75 -0.92 -3.04 115.11 118.43 1ni5 h GLN 34 Ca -0.00 -0.50 -0.08 0.00 -0.15 0.00 0.00 58.65 57.92 1ni5 h GLN 34 Cb 0.71 0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 1ni5 h GLN 34 CO 0.03 1.14 0.05 2.35 -2.65 0.00 0.00 178.83 179.75 1ni5 h TRP 35 N 0.10 1.01 -0.51 3.99 7.01 0.31 -3.02 115.95 124.83 1ni5 h TRP 35 Ca -0.07 -0.14 -0.04 0.00 2.11 0.00 0.00 58.89 60.75 1ni5 h TRP 35 Cb 1.33 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 28.09 1ni5 h TRP 35 CO 0.12 0.88 0.17 -0.09 -2.79 0.00 0.00 178.44 176.73 1ni5 h ARG 36 N 0.89 0.78 0.00 2.65 2.43 -0.23 -1.87 114.38 119.03 1ni5 h ARG 36 Ca 0.17 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ni5 h ARG 36 Cb 0.44 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1ni5 h ARG 36 CO 0.02 0.72 0.00 2.41 -1.51 0.00 0.00 179.97 181.60 1ni5 n THR 37 N -4.51 1.04 0.59 0.20 -1.04 -1.15 -1.50 114.28 107.92 1ni5 n THR 37 Ca 0.02 0.61 0.08 0.00 -2.04 0.00 0.00 64.05 62.72 1ni5 n THR 37 Cb 0.18 -1.59 -0.11 0.00 -1.82 0.00 0.00 70.33 67.00 1ni5 n THR 37 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1ni5 n GLU 38 N -2.21 1.19 -3.63 -2.82 4.07 -0.75 -4.74 120.64 111.74 1ni5 n GLU 38 Ca -0.01 -0.04 -0.28 0.00 -0.06 0.00 0.00 57.16 56.77 1ni5 n GLU 38 Cb 0.08 -1.33 -0.12 0.00 -0.06 0.00 0.00 31.44 30.01 1ni5 n GLU 38 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1ni5 s ASN 39 N -2.96 3.08 0.25 4.31 -0.87 -0.56 -5.11 114.94 113.08 1ni5 s ASN 39 Ca 0.03 -3.12 -0.30 0.00 -1.57 0.00 0.00 52.86 47.90 1ni5 s ASN 39 Cb 0.12 -0.93 -0.14 0.00 -0.02 0.00 0.00 41.25 40.28 1ni5 s ASN 39 CO 0.70 -0.18 1.23 -2.65 -2.57 0.00 0.00 177.10 173.63 1ni5 n PRO 40 N 2.86 1.67 -0.05 -0.60 -0.02 -1.25 -1.89 135.00 135.71 1ni5 n PRO 40 Ca 0.20 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1ni5 n PRO 40 Cb 0.40 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1ni5 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ni5 n GLY 41 N 1.66 0.78 3.62 -1.23 0.00 -1.26 -5.03 105.19 103.73 1ni5 n GLY 41 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1ni5 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ni5 s VAL 42 N -2.32 4.72 0.09 1.61 1.01 -0.79 -5.00 120.40 119.71 1ni5 s VAL 42 Ca 0.00 1.37 -0.17 0.00 0.00 0.00 0.00 61.98 63.18 1ni5 s VAL 42 Cb 0.00 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 1ni5 s VAL 42 CO 0.00 -0.30 0.55 0.00 0.00 0.00 0.00 175.10 175.35 1ni5 s ALA 43 N 3.14 3.59 -0.02 5.51 0.00 -1.06 -4.91 121.76 128.01 1ni5 s ALA 43 Ca 0.36 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1ni5 s ALA 43 Cb -0.14 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.41 1ni5 s ALA 43 CO 0.13 0.42 -0.05 -1.17 0.00 0.00 0.00 175.76 175.09 1ni5 s LEU 44 N -1.37 1.64 0.06 0.00 2.96 -1.26 -2.25 118.68 118.46 1ni5 s LEU 44 Ca 0.31 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 1ni5 s LEU 44 Cb -0.18 -0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.10 1ni5 s LEU 44 CO 0.18 0.01 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.96 1ni5 s ARG 45 N 0.42 0.79 0.15 1.98 0.52 0.45 -4.32 118.95 118.94 1ni5 s ARG 45 Ca -0.05 -0.88 0.10 0.00 -0.52 0.00 0.00 55.73 54.37 1ni5 s ARG 45 Cb -0.09 -0.77 -0.04 0.00 0.52 0.00 0.00 34.95 34.57 1ni5 s ARG 45 CO -0.00 0.17 -0.23 0.00 0.02 0.00 0.00 175.30 175.26 1ni5 s ALA 46 N -1.20 2.20 -0.13 2.13 0.00 -0.90 -0.30 121.76 123.56 1ni5 s ALA 46 Ca -0.02 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.44 1ni5 s ALA 46 Cb -0.10 -0.29 0.06 0.00 0.00 0.00 0.00 23.12 22.79 1ni5 s ALA 46 CO 0.02 0.41 0.14 -1.50 0.00 0.00 0.00 175.76 174.83 1ni5 s ILE 47 N -1.44 -0.21 -0.12 0.00 2.07 -0.73 -1.21 121.20 119.56 1ni5 s ILE 47 Ca 0.14 0.12 -0.15 0.00 -1.41 0.00 0.00 60.65 59.35 1ni5 s ILE 47 Cb -0.09 -0.44 -0.05 0.00 0.13 0.00 0.00 42.46 42.02 1ni5 s ILE 47 CO 0.07 -0.04 0.36 -2.28 -1.91 0.00 0.00 174.94 171.13 1ni5 s HIS 48 N 2.25 3.53 -0.42 3.50 5.65 -0.62 -1.14 115.29 128.05 1ni5 s HIS 48 Ca 0.04 0.75 -0.07 0.00 0.25 0.00 0.00 55.06 56.02 1ni5 s HIS 48 Cb -0.14 -2.37 0.09 0.00 -1.18 0.00 0.00 32.58 28.98 1ni5 s HIS 48 CO -0.08 0.32 0.24 0.08 -0.65 0.00 0.00 174.74 174.66 1ni5 s VAL 49 N 0.15 3.95 -0.46 0.89 1.01 -1.26 -2.35 120.40 122.32 1ni5 s VAL 49 Ca 0.20 -1.59 -0.25 0.00 0.00 0.00 0.00 61.98 60.34 1ni5 s VAL 49 Cb -0.14 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1ni5 s VAL 49 CO 0.07 -0.56 0.93 -2.28 0.00 0.00 0.00 175.10 173.26 1ni5 s HIS 50 N 1.35 2.92 0.05 5.22 5.65 0.15 -5.00 115.29 125.63 1ni5 s HIS 50 Ca 0.04 0.38 0.02 0.00 0.25 0.00 0.00 55.06 55.75 1ni5 s HIS 50 Cb -0.23 -3.97 -0.03 0.00 -1.18 0.00 0.00 32.58 27.17 1ni5 s HIS 50 CO 0.00 -1.10 -0.07 -3.38 -0.65 0.00 0.00 174.74 169.54 1ni5 s HIS 51 N 3.76 0.68 0.24 3.88 -3.43 -1.25 -3.16 115.29 116.01 1ni5 s HIS 51 Ca 0.37 -0.62 0.00 0.00 -0.80 0.00 0.00 55.06 54.01 1ni5 s HIS 51 Cb -0.10 -0.41 0.00 0.00 -1.43 0.00 0.00 32.58 30.64 1ni5 s HIS 51 CO 0.26 -0.12 0.00 0.41 -2.00 0.00 0.00 174.74 173.29 1ni5 n GLY 52 N 1.09 -2.33 3.17 -1.38 0.00 -1.26 -4.59 105.19 99.89 1ni5 n GLY 52 Ca -0.20 -1.30 -0.44 0.00 0.00 0.00 0.00 46.02 44.08 1ni5 n GLY 52 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ni5 n LEU 53 N -3.36 5.96 -4.87 0.99 7.94 -1.26 -4.95 117.00 117.45 1ni5 n LEU 53 Ca -0.02 -4.98 -0.30 0.00 -1.11 0.00 0.00 56.01 49.60 1ni5 n LEU 53 Cb 0.32 -1.42 -0.02 0.00 0.53 0.00 0.00 43.42 42.84 1ni5 n LEU 53 CO 0.01 1.40 0.55 -0.55 -1.11 0.00 0.00 177.39 177.69 1ni5 s SER 54 N 0.30 6.42 0.29 1.96 0.15 -1.26 -4.98 113.70 116.59 1ni5 s SER 54 Ca 0.34 1.23 -0.01 0.00 0.70 0.00 0.00 55.95 58.21 1ni5 s SER 54 Cb -0.01 -2.37 0.43 0.00 -1.71 0.00 0.00 66.02 62.36 1ni5 s SER 54 CO 0.01 -0.57 1.86 0.00 1.20 0.00 0.00 173.24 175.73 1ni5 h ALA 55 N 0.63 1.27 -0.17 5.45 0.00 -2.00 -3.02 119.26 121.42 1ni5 h ALA 55 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1ni5 h ALA 55 Cb 1.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1ni5 h ALA 55 CO 0.62 0.53 0.00 0.09 0.00 0.00 0.00 179.25 180.49 1ni5 n ASN 56 N -4.30 2.37 -0.29 0.00 4.13 -1.26 -4.74 115.26 111.17 1ni5 n ASN 56 Ca 0.04 -1.89 0.23 0.00 1.68 0.00 0.00 54.58 54.64 1ni5 n ASN 56 Cb 0.19 -0.11 0.42 0.00 -1.54 0.00 0.00 39.78 38.75 1ni5 n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ni5 n ALA 57 N 0.11 0.74 0.08 5.41 0.00 -1.14 0.11 120.51 125.81 1ni5 n ALA 57 Ca 0.06 0.91 -0.13 0.00 0.00 0.00 0.00 53.44 54.28 1ni5 n ALA 57 Cb 0.32 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 1ni5 n ALA 57 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ni5 h ASP 58 N 0.00 0.44 -0.30 0.00 5.19 -1.85 -3.21 116.42 116.70 1ni5 h ASP 58 Ca 0.67 -0.38 -0.13 0.00 -0.62 0.00 0.00 57.03 56.57 1ni5 h ASP 58 Cb 1.65 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 41.02 1ni5 h ASP 58 CO -0.73 1.20 -0.31 0.00 -3.12 0.00 0.00 179.24 176.29 1ni5 h ALA 59 N 0.76 0.45 -0.67 3.45 0.00 0.44 -2.80 119.26 120.89 1ni5 h ALA 59 Ca -0.08 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.50 1ni5 h ALA 59 Cb 1.65 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.28 1ni5 h ALA 59 CO 0.17 0.48 0.33 -1.49 0.00 0.00 0.00 179.25 178.73 1ni5 h TRP 60 N 0.51 0.58 -0.02 0.00 6.55 -0.87 0.91 115.95 123.62 1ni5 h TRP 60 Ca 0.05 0.03 0.03 0.00 0.95 0.00 0.00 58.89 59.94 1ni5 h TRP 60 Cb 0.89 -0.16 -0.04 0.00 -0.86 0.00 0.00 29.16 28.99 1ni5 h TRP 60 CO 0.07 0.22 -0.17 0.28 -1.05 0.00 0.00 178.44 177.79 1ni5 h VAL 61 N 0.57 0.59 -0.69 1.49 2.07 -1.53 -0.69 116.25 118.07 1ni5 h VAL 61 Ca 0.32 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.93 1ni5 h VAL 61 Cb 0.33 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1ni5 h VAL 61 CO -0.25 0.00 0.34 0.74 0.02 0.00 0.00 177.57 178.42 1ni5 h THR 62 N -0.27 0.86 -0.82 2.57 2.02 -0.99 -0.65 112.91 115.63 1ni5 h THR 62 Ca 0.06 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1ni5 h THR 62 Cb 0.34 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 1ni5 h THR 62 CO -0.17 0.11 0.54 -0.74 0.37 0.00 0.00 175.52 175.63 1ni5 h HIS 63 N 0.59 1.03 0.00 3.16 6.17 -0.24 -1.99 115.15 123.87 1ni5 h HIS 63 Ca 0.34 0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.37 1ni5 h HIS 63 Cb 0.34 -0.35 -0.01 0.00 2.52 0.00 0.00 27.41 29.91 1ni5 h HIS 63 CO -0.11 0.64 -0.34 0.00 0.71 0.00 0.00 177.93 178.83 1ni5 h GLU 65 N 0.00 0.47 -0.00 0.00 5.08 -0.47 -2.56 114.58 117.10 1ni5 h GLU 65 Ca -0.00 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1ni5 h GLU 65 Cb 0.65 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1ni5 h GLU 65 CO 0.04 0.98 -0.01 -0.91 -1.00 0.00 0.00 179.01 178.12 1ni5 h ASN 66 N 0.33 0.01 -0.24 1.42 2.35 -1.16 -2.69 115.58 115.61 1ni5 h ASN 66 Ca -0.02 -0.54 0.02 0.00 -0.55 0.00 0.00 56.30 55.21 1ni5 h ASN 66 Cb 1.24 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 1ni5 h ASN 66 CO 0.12 0.55 0.09 -0.37 -1.65 0.00 0.00 177.43 176.17 1ni5 h VAL 67 N -0.52 0.96 -0.33 2.81 -1.51 -1.47 0.28 116.25 116.47 1ni5 h VAL 67 Ca 0.00 -0.07 0.02 0.00 -1.23 0.00 0.00 66.70 65.42 1ni5 h VAL 67 Cb 0.54 0.73 -0.02 0.00 -2.13 0.00 0.00 31.29 30.40 1ni5 h VAL 67 CO 0.00 0.04 0.18 0.00 -1.23 0.00 0.00 177.57 176.56 1ni5 h GLN 69 N 0.37 0.43 -0.08 0.00 4.15 -1.22 0.61 115.11 119.36 1ni5 h GLN 69 Ca 0.13 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.49 1ni5 h GLN 69 Cb 0.03 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.65 1ni5 h GLN 69 CO -0.08 0.49 0.14 0.37 -1.93 0.00 0.00 178.83 177.82 1ni5 h GLN 70 N 0.29 0.00 -0.28 1.69 5.75 -0.13 0.70 115.11 123.12 1ni5 h GLN 70 Ca 0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1ni5 h GLN 70 Cb 0.23 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.78 1ni5 h GLN 70 CO -0.00 0.00 0.00 0.91 -2.65 0.00 0.00 178.83 177.09 1ni5 n TRP 71 N -3.50 0.37 -3.35 3.99 8.01 -0.30 -5.02 117.44 117.64 1ni5 n TRP 71 Ca -0.01 -0.34 -0.16 0.00 -1.31 0.00 0.00 57.50 55.68 1ni5 n TRP 71 Cb 0.23 -0.02 0.04 0.00 -2.01 0.00 0.00 31.31 29.56 1ni5 n TRP 71 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 1ni5 n GLN 72 N 0.69 -1.67 -3.70 -0.99 1.13 0.19 -5.01 117.38 108.02 1ni5 n GLN 72 Ca 0.12 0.92 -0.20 0.00 -1.94 0.00 0.00 57.00 55.90 1ni5 n GLN 72 Cb 0.41 -5.12 -0.18 0.00 0.11 0.00 0.00 30.24 25.47 1ni5 n GLN 72 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ni5 s VAL 73 N -3.27 0.01 0.71 5.09 1.01 0.03 -4.99 120.40 118.99 1ni5 s VAL 73 Ca 0.31 0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.47 1ni5 s VAL 73 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1ni5 s VAL 73 CO 0.79 0.20 0.88 -0.81 0.00 0.00 0.00 175.10 176.15 1ni5 n PRO 74 N 5.20 0.49 -3.56 2.72 -0.04 -1.26 -4.42 135.00 134.12 1ni5 n PRO 74 Ca -0.05 0.22 -0.23 0.00 -0.04 0.00 0.00 63.50 63.40 1ni5 n PRO 74 Cb 0.50 -2.14 -0.15 0.00 -0.04 0.00 0.00 33.50 31.67 1ni5 n PRO 74 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ni5 s LEU 75 N -2.49 0.16 0.20 1.53 2.96 -1.26 -2.13 118.68 117.66 1ni5 s LEU 75 Ca 0.72 -0.47 -0.26 0.00 -0.22 0.00 0.00 54.13 53.91 1ni5 s LEU 75 Cb -0.35 0.01 -0.08 0.00 0.50 0.00 0.00 46.19 46.27 1ni5 s LEU 75 CO 0.51 -0.34 0.81 -0.69 -1.32 0.00 0.00 176.35 175.32 1ni5 s VAL 76 N 2.21 4.33 -0.55 1.68 1.01 -0.35 -4.95 120.40 123.79 1ni5 s VAL 76 Ca 0.04 1.73 0.04 0.00 0.00 0.00 0.00 61.98 63.80 1ni5 s VAL 76 Cb -0.16 -4.13 0.17 0.00 0.00 0.00 0.00 36.38 32.26 1ni5 s VAL 76 CO -0.11 0.45 0.40 -0.69 0.00 0.00 0.00 175.10 175.15 1ni5 s VAL 77 N -1.23 1.61 0.15 2.92 1.01 -1.26 -1.58 120.40 122.01 1ni5 s VAL 77 Ca 0.39 -3.37 -0.31 0.00 0.00 0.00 0.00 61.98 58.69 1ni5 s VAL 77 Cb -0.23 -2.08 -0.08 0.00 0.00 0.00 0.00 36.38 34.00 1ni5 s VAL 77 CO 0.26 -1.09 1.33 -0.70 0.00 0.00 0.00 175.10 174.90 1ni5 s GLU 78 N -0.58 4.36 -0.15 2.72 2.56 -0.99 -4.83 118.70 121.80 1ni5 s GLU 78 Ca 0.27 2.03 0.16 0.00 0.00 0.00 0.00 54.97 57.44 1ni5 s GLU 78 Cb -0.03 -3.23 0.68 0.00 2.00 0.00 0.00 34.13 33.55 1ni5 s GLU 78 CO -0.16 -0.33 1.60 0.54 -0.56 0.00 0.00 175.26 176.35 1ni5 n ARG 79 N 3.33 3.83 -1.05 4.30 1.74 -1.25 0.32 116.66 127.87 1ni5 n ARG 79 Ca 0.09 -2.89 -0.38 0.00 -0.77 0.00 0.00 57.85 53.90 1ni5 n ARG 79 Cb 0.43 -1.93 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 1ni5 n ARG 79 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ni5 n VAL 80 N 0.66 0.97 -4.10 1.55 0.31 -1.19 -4.63 118.33 111.91 1ni5 n VAL 80 Ca 0.24 -0.24 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1ni5 n VAL 80 Cb 0.93 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.71 1ni5 n VAL 80 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ni5 s GLN 81 N -0.49 0.57 -0.29 5.55 0.00 -1.26 -3.94 119.66 119.80 1ni5 s GLN 81 Ca 0.53 -0.08 -0.16 0.00 -0.00 0.00 0.00 55.36 55.66 1ni5 s GLN 81 Cb -0.76 -0.62 0.15 0.00 0.00 0.00 0.00 33.01 31.78 1ni5 s GLN 81 CO 0.41 -0.04 1.00 -1.17 0.00 0.00 0.00 175.29 175.49 1ni5 s LEU 82 N 0.66 -0.49 -0.30 2.60 2.96 -1.26 -5.01 118.68 117.83 1ni5 s LEU 82 Ca -0.08 0.76 -0.17 0.00 -0.22 0.00 0.00 54.13 54.42 1ni5 s LEU 82 Cb -0.11 1.68 0.18 0.00 0.50 0.00 0.00 46.19 48.44 1ni5 s LEU 82 CO -0.00 -0.12 1.16 0.00 -1.32 0.00 0.00 176.35 176.07 1ni5 s ALA 83 N 1.57 -3.22 -0.36 5.97 0.00 -1.26 -4.63 121.76 119.82 1ni5 s ALA 83 Ca -0.08 1.74 0.14 0.00 0.00 0.00 0.00 51.96 53.77 1ni5 s ALA 83 Cb -0.04 -2.30 0.43 0.00 0.00 0.00 0.00 23.12 21.21 1ni5 s ALA 83 CO -0.15 -1.11 0.96 1.04 0.00 0.00 0.00 175.76 176.50 1ni5 n GLN 84 N 4.93 1.71 0.00 0.00 6.02 -1.26 -4.96 117.38 123.81 1ni5 n GLN 84 Ca -0.08 -3.61 0.00 0.00 -0.01 0.00 0.00 57.00 53.30 1ni5 n GLN 84 Cb 0.54 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.24 1ni5 n GLN 84 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1ni5 n GLU 85 N -0.11 0.00 0.00 -1.09 4.07 -1.26 -4.90 120.64 117.34 1ni5 n GLU 85 Ca 0.19 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 1ni5 n GLU 85 Cb 0.74 -3.18 0.00 0.00 -0.06 0.00 0.00 31.44 28.94 1ni5 n GLU 85 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ni5 n GLY 86 N -1.99 0.13 3.62 8.31 0.00 -1.26 -4.86 105.19 109.13 1ni5 n GLY 86 Ca 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1ni5 n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ni5 s LEU 87 N 0.00 3.78 0.00 0.99 1.43 -1.26 -5.00 118.68 118.61 1ni5 s LEU 87 Ca 0.00 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 1ni5 s LEU 87 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1ni5 s LEU 87 CO 0.00 -1.25 0.00 0.61 0.23 0.00 0.00 176.35 175.94 1ni5 n GLY 88 N 4.67 -1.72 0.35 -3.19 0.00 -1.26 -2.63 105.19 101.42 1ni5 n GLY 88 Ca 0.16 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1ni5 n GLY 88 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ni5 h ILE 89 N -0.27 0.28 0.00 -0.61 2.04 -1.97 0.92 117.51 117.89 1ni5 h ILE 89 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ni5 h ILE 89 Cb 0.00 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1ni5 h ILE 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.53 1ni5 n GLU 90 N -5.43 0.18 0.03 2.37 -0.58 -1.26 -2.97 120.64 112.98 1ni5 n GLU 90 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1ni5 n GLU 90 Cb 0.34 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 1ni5 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ni5 n ALA 91 N 1.42 0.00 0.09 0.62 0.00 -1.08 -4.92 120.51 116.64 1ni5 n ALA 91 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1ni5 n ALA 91 Cb 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 1ni5 n ALA 91 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ni5 h GLN 92 N 0.00 -0.51 -0.12 0.00 5.75 -0.57 -2.65 115.11 117.01 1ni5 h GLN 92 Ca 0.00 0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1ni5 h GLN 92 Cb 0.00 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1ni5 h GLN 92 CO 0.00 -0.34 0.04 0.00 -2.65 0.00 0.00 178.83 175.88 1ni5 h ALA 93 N -0.89 0.14 -1.04 3.38 0.00 -1.67 -2.68 119.26 116.49 1ni5 h ALA 93 Ca -0.01 0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.18 1ni5 h ALA 93 Cb 0.53 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 1ni5 h ALA 93 CO -0.18 -0.40 0.66 0.00 0.00 0.00 0.00 179.25 179.32 1ni5 h ARG 94 N 0.11 0.41 0.04 0.00 3.08 -1.54 0.36 114.38 116.83 1ni5 h ARG 94 Ca 0.05 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ni5 h ARG 94 Cb 0.03 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1ni5 h ARG 94 CO -0.05 0.27 -0.02 1.96 -1.07 0.00 0.00 179.97 181.06 1ni5 h GLN 95 N 0.42 -0.05 -0.97 0.04 4.20 -1.15 -2.38 115.11 115.21 1ni5 h GLN 95 Ca 0.61 0.00 0.12 0.00 0.06 0.00 0.00 58.65 59.45 1ni5 h GLN 95 Cb 1.49 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 29.19 1ni5 h GLN 95 CO -0.33 0.48 0.60 0.00 -0.67 0.00 0.00 178.83 178.91 1ni5 h ALA 96 N 0.30 1.47 0.29 3.87 0.00 -0.68 0.12 119.26 124.64 1ni5 h ALA 96 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ni5 h ALA 96 Cb 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ni5 h ALA 96 CO 0.01 0.18 -0.14 -0.09 0.00 0.00 0.00 179.25 179.21 1ni5 h ARG 97 N 0.94 -0.38 0.00 0.00 2.43 -0.39 0.35 114.38 117.33 1ni5 h ARG 97 Ca 0.49 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.66 1ni5 h ARG 97 Cb 0.51 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1ni5 h ARG 97 CO -0.28 -0.11 -0.11 1.88 -1.51 0.00 0.00 179.97 179.85 1ni5 h TYR 98 N -0.63 0.00 -0.12 2.20 -1.99 -0.96 0.47 116.97 115.94 1ni5 h TYR 98 Ca -0.04 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.61 1ni5 h TYR 98 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.18 1ni5 h TYR 98 CO 0.00 0.11 -0.22 1.96 -0.00 0.00 0.00 178.16 180.01 1ni5 h GLN 99 N 0.00 0.37 -0.92 4.88 4.20 -0.54 0.13 115.11 123.22 1ni5 h GLN 99 Ca -0.00 -0.23 0.09 0.00 0.06 0.00 0.00 58.65 58.57 1ni5 h GLN 99 Cb 0.21 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 1ni5 h GLN 99 CO 0.01 0.82 0.59 0.00 -0.67 0.00 0.00 178.83 179.59 1ni5 h ALA 100 N 0.54 1.58 -0.23 3.87 0.00 0.19 0.71 119.26 125.91 1ni5 h ALA 100 Ca 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ni5 h ALA 100 Cb 0.80 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ni5 h ALA 100 CO 0.05 0.23 -0.04 0.74 0.00 0.00 0.00 179.25 180.24 1ni5 h PHE 101 N 0.95 0.49 0.15 0.00 0.05 0.05 -2.06 116.94 116.57 1ni5 h PHE 101 Ca 0.42 -0.10 0.01 0.00 3.82 0.00 0.00 57.97 62.12 1ni5 h PHE 101 Cb 0.37 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 38.18 1ni5 h PHE 101 CO -0.00 0.65 -0.18 0.00 -0.18 0.00 0.00 178.31 178.60 1ni5 h ALA 102 N 0.77 -0.34 0.08 2.45 0.00 0.15 -3.04 119.26 119.32 1ni5 h ALA 102 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ni5 h ALA 102 Cb 0.48 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1ni5 h ALA 102 CO 0.02 -0.72 -0.24 -0.09 0.00 0.00 0.00 179.25 178.22 1ni5 h ARG 103 N -0.38 -0.34 -2.00 0.00 2.43 0.33 -3.07 114.38 111.35 1ni5 h ARG 103 Ca 0.01 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1ni5 h ARG 103 Cb 0.37 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1ni5 h ARG 103 CO -0.07 -0.23 -0.03 0.25 -1.51 0.00 0.00 179.97 178.39 1ni5 n THR 104 N -3.78 2.04 -4.26 0.20 -2.24 -0.78 -4.84 114.28 100.61 1ni5 n THR 104 Ca -0.04 -0.57 -0.30 0.00 -2.27 0.00 0.00 64.05 60.87 1ni5 n THR 104 Cb 0.19 -1.53 -0.16 0.00 -2.10 0.00 0.00 70.33 66.72 1ni5 n THR 104 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ni5 s LEU 105 N 0.00 1.83 0.71 3.22 2.96 -1.15 -4.97 118.68 121.27 1ni5 s LEU 105 Ca 0.05 -0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 53.33 1ni5 s LEU 105 Cb 0.02 -1.24 0.02 0.00 0.50 0.00 0.00 46.19 45.49 1ni5 s LEU 105 CO 0.00 -0.01 1.07 -0.76 -1.32 0.00 0.00 176.35 175.34 1ni5 s LEU 106 N 1.21 3.17 -0.09 -0.68 1.43 -1.26 -4.99 118.68 117.46 1ni5 s LEU 106 Ca -0.00 1.74 -0.30 0.00 -1.03 0.00 0.00 54.13 54.55 1ni5 s LEU 106 Cb -0.14 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.55 1ni5 s LEU 106 CO -0.07 -1.62 1.12 -2.16 0.23 0.00 0.00 176.35 173.85 1ni5 s PRO 107 N -4.80 4.36 0.00 1.29 0.04 -1.26 -2.64 135.00 132.00 1ni5 s PRO 107 Ca 0.60 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1ni5 s PRO 107 Cb -0.16 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1ni5 s PRO 107 CO 0.52 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.54 1ni5 n GLY 108 N 3.28 0.20 3.77 0.56 0.00 -1.26 -5.05 105.19 106.68 1ni5 n GLY 108 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1ni5 n GLY 108 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ni5 s GLU 109 N -0.96 4.37 -0.24 1.61 2.12 -1.08 -4.37 118.70 120.16 1ni5 s GLU 109 Ca 0.00 0.87 -0.12 0.00 0.36 0.00 0.00 54.97 56.09 1ni5 s GLU 109 Cb 0.00 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 31.03 1ni5 s GLU 109 CO 0.00 0.43 0.21 0.08 -0.54 0.00 0.00 175.26 175.44 1ni5 s VAL 110 N -0.47 5.32 0.05 3.70 1.01 0.42 -4.76 120.40 125.67 1ni5 s VAL 110 Ca 0.33 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1ni5 s VAL 110 Cb -0.20 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1ni5 s VAL 110 CO 0.20 0.32 1.02 -0.22 0.00 0.00 0.00 175.10 176.42 1ni5 s LEU 111 N 1.18 4.41 -0.07 3.92 2.96 -1.09 -1.49 118.68 128.50 1ni5 s LEU 111 Ca 0.10 1.78 0.03 0.00 -0.22 0.00 0.00 54.13 55.82 1ni5 s LEU 111 Cb -0.14 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.98 1ni5 s LEU 111 CO 0.06 -0.24 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.00 1ni5 s VAL 112 N 0.65 1.42 0.27 1.68 1.01 -0.37 -1.12 120.40 123.95 1ni5 s VAL 112 Ca 0.51 -0.66 0.11 0.00 0.00 0.00 0.00 61.98 61.95 1ni5 s VAL 112 Cb -0.24 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1ni5 s VAL 112 CO 0.29 0.42 -0.16 0.42 0.00 0.00 0.00 175.10 176.07 1ni5 s THR 113 N 0.42 2.68 -0.82 3.92 -4.23 -0.84 -2.20 115.64 114.58 1ni5 s THR 113 Ca -0.13 -2.29 -0.02 0.00 -1.18 0.00 0.00 61.69 58.08 1ni5 s THR 113 Cb -0.15 -2.41 0.36 0.00 1.34 0.00 0.00 72.50 71.64 1ni5 s THR 113 CO 0.04 -0.38 1.99 0.00 -0.54 0.00 0.00 174.62 175.73 1ni5 n ALA 114 N -0.64 6.45 -2.70 3.99 0.00 -1.26 -4.25 120.51 122.10 1ni5 n ALA 114 Ca -0.06 -4.07 -0.40 0.00 0.00 0.00 0.00 53.44 48.92 1ni5 n ALA 114 Cb 0.60 -1.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 1ni5 n ALA 114 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ni5 s GLN 115 N -4.03 4.36 0.30 0.00 -0.21 -1.26 -4.64 119.66 114.17 1ni5 s GLN 115 Ca 0.53 0.86 0.00 0.00 0.02 0.00 0.00 55.36 56.77 1ni5 s GLN 115 Cb 0.45 -3.50 0.00 0.00 1.00 0.00 0.00 33.01 30.96 1ni5 s GLN 115 CO -0.37 -0.08 0.03 -2.39 -2.12 0.00 0.00 175.29 170.36 1ni5 n HIS 116 N 4.35 0.48 -0.30 0.91 1.44 -1.25 -2.57 115.22 118.28 1ni5 n HIS 116 Ca -0.00 -1.44 0.02 0.00 -2.01 0.00 0.00 57.72 54.28 1ni5 n HIS 116 Cb 0.50 -0.20 0.07 0.00 0.12 0.00 0.00 29.99 30.48 1ni5 n HIS 116 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1ni5 n LEU 117 N 0.00 -0.41 -0.04 2.39 7.94 -0.70 0.88 117.00 127.06 1ni5 n LEU 117 Ca -0.11 1.38 0.17 0.00 -1.11 0.00 0.00 56.01 56.34 1ni5 n LEU 117 Cb 0.37 -0.36 0.61 0.00 0.53 0.00 0.00 43.42 44.57 1ni5 n LEU 117 CO 0.20 -1.28 1.19 0.44 -1.11 0.00 0.00 177.39 176.83 1ni5 h ASP 118 N 0.00 0.16 0.43 1.96 5.19 -1.88 0.14 116.42 122.42 1ni5 h ASP 118 Ca 0.33 0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.56 1ni5 h ASP 118 Cb 0.53 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1ni5 h ASP 118 CO -0.81 0.09 -0.78 0.44 -3.12 0.00 0.00 179.24 175.07 1ni5 h ASP 119 N 0.17 0.33 -0.67 6.45 3.32 0.11 -1.56 116.42 124.57 1ni5 h ASP 119 Ca 0.27 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1ni5 h ASP 119 Cb 0.85 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1ni5 h ASP 119 CO -0.04 0.98 0.27 1.56 -1.72 0.00 0.00 179.24 180.29 1ni5 h GLN 120 N 0.17 1.01 -0.30 3.56 1.08 -0.39 0.10 115.11 120.35 1ni5 h GLN 120 Ca -0.03 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 56.94 1ni5 h GLN 120 Cb 1.36 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 1ni5 h GLN 120 CO 0.12 0.84 0.02 0.00 -0.95 0.00 0.00 178.83 178.86 1ni5 h GLU 122 N 0.31 0.94 -0.57 0.00 5.08 -1.04 -0.30 114.58 119.00 1ni5 h GLU 122 Ca 0.09 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1ni5 h GLU 122 Cb 0.40 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1ni5 h GLU 122 CO 0.01 0.79 0.21 1.15 -1.00 0.00 0.00 179.01 180.17 1ni5 h THR 123 N 0.88 1.23 0.71 1.13 2.02 -0.70 -0.39 112.91 117.79 1ni5 h THR 123 Ca 0.21 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 1ni5 h THR 123 Cb 0.20 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1ni5 h THR 123 CO -0.02 0.28 -0.35 0.15 0.37 0.00 0.00 175.52 175.95 1ni5 h PHE 124 N 0.79 -0.92 -0.54 3.16 3.57 -0.83 -0.38 116.94 121.78 1ni5 h PHE 124 Ca 0.19 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.77 1ni5 h PHE 124 Cb 0.23 0.31 -0.08 0.00 2.79 0.00 0.00 35.95 39.20 1ni5 h PHE 124 CO 0.01 -0.57 0.07 -0.07 -2.23 0.00 0.00 178.31 175.52 1ni5 h LEU 125 N -0.97 -0.09 -1.17 0.59 4.07 -0.93 0.37 115.31 117.17 1ni5 h LEU 125 Ca -0.10 0.11 0.01 0.00 0.08 0.00 0.00 57.88 57.99 1ni5 h LEU 125 Cb 0.75 0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.62 1ni5 h LEU 125 CO 0.15 -0.03 0.57 -0.07 -1.08 0.00 0.00 178.44 177.98 1ni5 h LEU 126 N 0.19 0.97 -0.57 1.67 3.38 -0.83 0.23 115.31 120.35 1ni5 h LEU 126 Ca 0.28 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 1ni5 h LEU 126 Cb 0.41 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1ni5 h LEU 126 CO -0.40 0.70 0.08 0.00 0.09 0.00 0.00 178.44 178.91 1ni5 h ALA 127 N 1.47 0.76 0.02 1.53 0.00 0.86 -2.92 119.26 120.98 1ni5 h ALA 127 Ca 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ni5 h ALA 127 Cb -0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1ni5 h ALA 127 CO -0.07 0.52 -0.03 1.25 0.00 0.00 0.00 179.25 180.92 1ni5 h LEU 128 N 0.84 -0.07 0.00 0.00 6.46 0.10 -1.28 115.31 121.36 1ni5 h LEU 128 Ca 0.17 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1ni5 h LEU 128 Cb 0.44 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1ni5 h LEU 128 CO 0.01 -0.04 0.00 2.29 -0.62 0.00 0.00 178.44 180.08 1ni5 n LYS 129 N -5.13 0.38 0.00 1.25 -0.00 0.67 0.14 118.16 115.46 1ni5 n LYS 129 Ca -0.07 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.28 1ni5 n LYS 129 Cb 0.06 -1.33 -0.01 0.00 -0.00 0.00 0.00 35.03 33.76 1ni5 n LYS 129 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1ni5 n ARG 130 N -0.83 2.67 -3.07 -1.58 0.63 -0.54 -5.00 116.66 108.95 1ni5 n ARG 130 Ca 0.06 -0.43 -0.18 0.00 -0.92 0.00 0.00 57.85 56.38 1ni5 n ARG 130 Cb 0.03 -0.97 0.04 0.00 0.45 0.00 0.00 32.46 32.01 1ni5 n ARG 130 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ni5 n GLY 131 N 0.85 -0.23 3.87 5.14 0.00 0.37 -5.00 105.19 110.18 1ni5 n GLY 131 Ca 0.03 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ni5 n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ni5 s SER 132 N -2.98 6.47 0.64 1.61 1.04 -0.88 -5.03 113.70 114.58 1ni5 s SER 132 Ca 0.33 1.27 0.00 0.00 0.48 0.00 0.00 55.95 58.03 1ni5 s SER 132 Cb -0.15 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1ni5 s SER 132 CO 0.41 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1ni5 n GLY 133 N -1.71 -0.34 0.34 7.32 0.00 -1.26 -4.70 105.19 104.83 1ni5 n GLY 133 Ca 0.04 -1.77 0.14 0.00 0.00 0.00 0.00 46.02 44.42 1ni5 n GLY 133 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ni5 h PRO 134 N 0.00 0.64 -0.05 1.61 0.11 -1.95 -0.16 132.00 132.21 1ni5 h PRO 134 Ca 0.00 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.08 1ni5 h PRO 134 Cb 0.00 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 1ni5 h PRO 134 CO 0.00 0.42 -0.01 0.00 -0.21 0.00 0.00 178.00 178.21 1ni5 h ALA 135 N 1.67 0.03 0.00 -0.75 0.00 -1.93 -2.37 119.26 115.91 1ni5 h ALA 135 Ca 0.59 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1ni5 h ALA 135 Cb 0.99 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ni5 h ALA 135 CO -0.42 -0.49 0.00 0.78 0.00 0.00 0.00 179.25 179.11 1ni5 h GLY 136 N 0.00 0.00 -1.43 0.00 0.00 -1.70 -3.04 103.07 96.89 1ni5 h GLY 136 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1ni5 h GLY 136 CO -0.05 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.53 1ni5 n LEU 137 N -2.45 2.37 0.00 3.11 4.77 -0.14 -3.57 117.00 121.08 1ni5 n LEU 137 Ca 0.03 -1.03 0.15 0.00 -0.03 0.00 0.00 56.01 55.14 1ni5 n LEU 137 Cb 0.35 -0.18 0.81 0.00 -2.33 0.00 0.00 43.42 42.07 1ni5 n LEU 137 CO 0.26 0.51 1.04 -1.20 -1.33 0.00 0.00 177.39 176.67 1ni5 n SER 138 N 0.79 0.00 0.00 -1.43 7.64 -0.95 -4.26 113.62 115.41 1ni5 n SER 138 Ca 0.17 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1ni5 n SER 138 Cb 0.43 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1ni5 n SER 138 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ni5 n ALA 139 N -1.18 0.00 -3.34 -0.43 0.00 -1.23 -4.72 120.51 109.61 1ni5 n ALA 139 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.47 1ni5 n ALA 139 Cb 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 1ni5 n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ni5 s ALA 141 N 0.00 -1.12 0.46 0.00 0.00 -1.26 -5.04 121.76 114.80 1ni5 s ALA 141 Ca 0.00 0.78 0.15 0.00 0.00 0.00 0.00 51.96 52.89 1ni5 s ALA 141 Cb 0.00 -0.11 1.04 0.00 0.00 0.00 0.00 23.12 24.05 1ni5 s ALA 141 CO 0.00 -0.28 2.01 1.49 0.00 0.00 0.00 175.76 178.98 1ni5 h GLU 142 N 3.94 0.00 -3.31 0.00 4.81 -1.91 -3.41 114.58 114.70 1ni5 h GLU 142 Ca -0.28 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.61 1ni5 h GLU 142 Cb 1.17 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 30.18 1ni5 h GLU 142 CO 0.36 0.16 -0.71 0.08 -0.73 0.00 0.00 179.01 178.17 1ni5 s VAL 143 N -4.68 -0.12 0.26 0.32 1.01 -1.26 -1.65 120.40 114.27 1ni5 s VAL 143 Ca -0.04 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1ni5 s VAL 143 Cb 0.16 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.32 1ni5 s VAL 143 CO 0.69 0.15 0.10 -0.94 0.00 0.00 0.00 175.10 175.10 1ni5 s SER 144 N 1.90 1.17 -0.12 3.32 1.04 -0.89 -4.96 113.70 115.15 1ni5 s SER 144 Ca 0.01 -1.39 -0.13 0.00 0.48 0.00 0.00 55.95 54.91 1ni5 s SER 144 Cb -0.12 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 1ni5 s SER 144 CO -0.04 -0.74 0.30 -1.61 0.98 0.00 0.00 173.24 172.13 1ni5 s GLU 145 N -4.03 4.10 -0.09 4.02 2.02 -1.26 0.68 118.70 124.14 1ni5 s GLU 145 Ca 0.38 0.14 -0.04 0.00 0.02 0.00 0.00 54.97 55.47 1ni5 s GLU 145 Cb 0.08 -3.36 0.05 0.00 0.10 0.00 0.00 34.13 30.99 1ni5 s GLU 145 CO 0.14 0.38 0.20 0.12 0.02 0.00 0.00 175.26 176.12 1ni5 s PHE 146 N 0.01 -0.26 -1.11 1.61 5.36 0.44 -4.82 117.98 119.20 1ni5 s PHE 146 Ca 0.18 0.69 -0.25 0.00 -0.96 0.00 0.00 56.93 56.59 1ni5 s PHE 146 Cb -0.14 -0.07 0.02 0.00 -0.34 0.00 0.00 43.02 42.50 1ni5 s PHE 146 CO 0.06 -0.24 0.70 0.00 -1.46 0.00 0.00 175.22 174.28 1ni5 n ALA 147 N 4.61 -2.63 0.00 11.12 0.00 -1.26 -1.11 120.51 131.23 1ni5 n ALA 147 Ca -0.19 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1ni5 n ALA 147 Cb 0.51 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1ni5 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni5 n GLY 148 N -1.91 1.05 0.00 0.00 0.00 -1.26 -4.90 105.19 98.16 1ni5 n GLY 148 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1ni5 n GLY 148 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ni5 n THR 149 N 0.00 0.00 -3.76 2.61 5.66 -0.27 -5.08 114.28 113.44 1ni5 n THR 149 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1ni5 n THR 149 Cb 0.00 -0.90 -0.04 0.00 -1.55 0.00 0.00 70.33 67.84 1ni5 n THR 149 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1ni5 s ARG 150 N -0.72 3.52 -0.30 1.09 0.52 -1.26 0.17 118.95 121.96 1ni5 s ARG 150 Ca 0.00 -0.33 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 1ni5 s ARG 150 Cb 0.00 -2.89 0.08 0.00 0.52 0.00 0.00 34.95 32.66 1ni5 s ARG 150 CO 0.00 0.47 -0.03 -1.17 0.02 0.00 0.00 175.30 174.59 1ni5 s LEU 151 N -3.01 4.09 -0.03 2.53 2.96 0.21 -2.66 118.68 122.78 1ni5 s LEU 151 Ca 0.38 -1.75 -0.13 0.00 -0.22 0.00 0.00 54.13 52.41 1ni5 s LEU 151 Cb -0.12 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 1ni5 s LEU 151 CO 0.28 -0.28 0.34 -0.63 -1.32 0.00 0.00 176.35 174.73 1ni5 s ILE 152 N 1.02 5.16 -0.55 6.68 1.01 -0.27 -2.10 121.20 132.13 1ni5 s ILE 152 Ca 0.00 0.67 0.04 0.00 0.00 0.00 0.00 60.65 61.37 1ni5 s ILE 152 Cb -0.20 -3.63 0.16 0.00 0.01 0.00 0.00 42.46 38.80 1ni5 s ILE 152 CO -0.06 0.58 0.38 -0.13 0.00 0.00 0.00 174.94 175.72 1ni5 s ARG 153 N -1.02 1.74 0.04 2.79 0.52 -0.66 -1.98 118.95 120.37 1ni5 s ARG 153 Ca 0.21 -2.67 -0.18 0.00 -0.52 0.00 0.00 55.73 52.58 1ni5 s ARG 153 Cb -0.15 -2.61 -0.09 0.00 0.52 0.00 0.00 34.95 32.62 1ni5 s ARG 153 CO 0.11 -1.28 1.28 -1.35 0.02 0.00 0.00 175.30 174.07 1ni5 h PRO 154 N 5.81 -0.52 -0.12 3.54 0.11 -1.84 -3.10 132.00 135.87 1ni5 h PRO 154 Ca 0.14 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1ni5 h PRO 154 Cb 0.84 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1ni5 h PRO 154 CO 0.57 -0.34 0.00 1.28 -0.21 0.00 0.00 178.00 179.29 1ni5 n LEU 155 N -3.86 0.12 0.12 2.35 4.77 -1.26 -4.02 117.00 115.22 1ni5 n LEU 155 Ca -0.06 -0.06 0.05 0.00 -0.03 0.00 0.00 56.01 55.90 1ni5 n LEU 155 Cb 0.24 -0.06 0.48 0.00 -2.33 0.00 0.00 43.42 41.75 1ni5 n LEU 155 CO 0.15 0.03 1.04 0.25 -1.33 0.00 0.00 177.39 177.53 1ni5 h LEU 156 N 0.76 0.24 0.00 2.23 5.85 -1.42 -2.89 115.31 120.09 1ni5 h LEU 156 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ni5 h LEU 156 Cb 0.06 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1ni5 h LEU 156 CO 0.00 0.25 -1.25 0.00 -0.34 0.00 0.00 178.44 177.10 1ni5 n ALA 157 N -2.50 2.65 -1.77 1.25 0.00 -1.26 -1.72 120.51 117.16 1ni5 n ALA 157 Ca -0.00 -0.31 -0.38 0.00 0.00 0.00 0.00 53.44 52.74 1ni5 n ALA 157 Cb 0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 1ni5 n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ni5 s ARG 158 N -3.39 4.10 0.32 0.00 3.00 -1.09 -4.64 118.95 117.26 1ni5 s ARG 158 Ca -0.02 1.84 -0.08 0.00 0.00 0.00 0.00 55.73 57.47 1ni5 s ARG 158 Cb 0.11 -2.71 -0.06 0.00 0.00 0.00 0.00 34.95 32.29 1ni5 s ARG 158 CO 0.82 -0.28 0.64 0.95 0.00 0.00 0.00 175.30 177.43 1ni5 s THR 159 N -1.40 4.90 0.45 0.02 -4.23 -1.26 -1.82 115.64 112.30 1ni5 s THR 159 Ca 0.56 0.37 0.15 0.00 -1.18 0.00 0.00 61.69 61.59 1ni5 s THR 159 Cb -0.31 -3.71 0.33 0.00 1.34 0.00 0.00 72.50 70.16 1ni5 s THR 159 CO 0.39 -0.35 1.99 -0.09 -0.54 0.00 0.00 174.62 176.02 1ni5 h ARG 160 N 1.69 0.35 0.42 3.99 2.43 -1.98 0.20 114.38 121.49 1ni5 h ARG 160 Ca -0.47 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1ni5 h ARG 160 Cb 1.18 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1ni5 h ARG 160 CO 0.66 0.23 -0.40 0.78 -1.51 0.00 0.00 179.97 179.73 1ni5 h GLY 161 N 0.36 -0.97 0.09 2.80 0.00 -1.99 0.77 103.07 104.13 1ni5 h GLY 161 Ca 0.26 0.46 0.17 0.00 0.00 0.00 0.00 47.33 48.22 1ni5 h GLY 161 CO -0.07 -0.33 0.43 0.83 0.00 0.00 0.00 176.54 177.40 1ni5 h GLU 162 N -0.84 0.54 -0.52 4.80 5.08 -1.38 0.89 114.58 123.15 1ni5 h GLU 162 Ca -0.04 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1ni5 h GLU 162 Cb 0.74 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1ni5 h GLU 162 CO -0.05 0.36 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.18 1ni5 h LEU 163 N 0.55 0.92 -0.32 1.33 4.07 -0.85 -2.10 115.31 118.92 1ni5 h LEU 163 Ca 0.50 -0.27 -0.07 0.00 0.08 0.00 0.00 57.88 58.12 1ni5 h LEU 163 Cb 0.79 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 1ni5 h LEU 163 CO -0.42 1.01 -0.08 0.58 -1.08 0.00 0.00 178.44 178.46 1ni5 h VAL 164 N 0.85 1.28 0.00 1.22 2.07 0.74 0.06 116.25 122.47 1ni5 h VAL 164 Ca 0.15 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1ni5 h VAL 164 Cb 0.58 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1ni5 h VAL 164 CO 0.04 0.36 -0.01 -0.61 0.02 0.00 0.00 177.57 177.37 1ni5 h GLN 165 N 0.38 0.00 0.00 1.57 4.15 -0.72 -0.98 115.11 119.52 1ni5 h GLN 165 Ca 0.08 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1ni5 h GLN 165 Cb 0.57 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 1ni5 h GLN 165 CO 0.03 0.01 -0.48 2.35 -1.93 0.00 0.00 178.83 178.81 1ni5 h TRP 166 N 0.00 0.00 -1.05 3.99 2.91 -1.02 -2.78 115.95 118.00 1ni5 h TRP 166 Ca -0.00 0.00 0.30 0.00 1.13 0.00 0.00 58.89 60.32 1ni5 h TRP 166 Cb 0.02 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.63 1ni5 h TRP 166 CO 0.00 0.24 0.79 0.00 -1.03 0.00 0.00 178.44 178.44 1ni5 h ALA 167 N -0.89 2.96 0.19 2.65 0.00 -0.93 0.19 119.26 123.43 1ni5 h ALA 167 Ca -0.05 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 1ni5 h ALA 167 Cb 0.53 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ni5 h ALA 167 CO -0.03 -1.33 -1.56 -0.09 0.00 0.00 0.00 179.25 176.24 1ni5 h ARG 168 N 0.00 0.39 0.00 0.00 2.43 -1.31 0.14 114.38 116.03 1ni5 h ARG 168 Ca 0.50 -0.67 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1ni5 h ARG 168 Cb 2.08 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 31.88 1ni5 h ARG 168 CO -0.01 1.30 0.00 0.37 -1.51 0.00 0.00 179.97 180.12 1ni5 h GLN 169 N 0.11 0.00 -0.15 0.20 4.15 -0.35 -2.14 115.11 116.93 1ni5 h GLN 169 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1ni5 h GLN 169 Cb 2.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.78 1ni5 h GLN 169 CO 0.21 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.77 1ni5 n TYR 170 N -3.08 0.49 -4.06 3.99 4.02 -0.83 -5.00 117.16 112.69 1ni5 n TYR 170 Ca -0.01 -0.87 -0.30 0.00 -0.01 0.00 0.00 57.90 56.71 1ni5 n TYR 170 Cb 0.22 -0.21 -0.04 0.00 -0.02 0.00 0.00 39.34 39.29 1ni5 n TYR 170 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1ni5 n ASP 171 N -0.80 -0.81 -4.81 7.72 9.92 -0.80 -4.94 116.55 122.03 1ni5 n ASP 171 Ca 0.17 -1.13 -0.39 0.00 -0.53 0.00 0.00 54.79 52.92 1ni5 n ASP 171 Cb 0.72 -2.46 -0.06 0.00 -0.64 0.00 0.00 41.12 38.68 1ni5 n ASP 171 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1ni5 s LEU 172 N -7.11 4.53 -0.17 0.64 1.43 0.48 -5.03 118.68 113.44 1ni5 s LEU 172 Ca 0.10 1.31 -0.07 0.00 -1.03 0.00 0.00 54.13 54.44 1ni5 s LEU 172 Cb -0.05 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 1ni5 s LEU 172 CO 0.93 0.26 0.05 -0.13 0.23 0.00 0.00 176.35 177.69 1ni5 s ARG 173 N -1.17 3.87 0.05 1.70 3.00 -1.26 -4.77 118.95 120.37 1ni5 s ARG 173 Ca 0.30 -0.35 -0.04 0.00 0.00 0.00 0.00 55.73 55.65 1ni5 s ARG 173 Cb -0.20 -3.16 -0.02 0.00 0.00 0.00 0.00 34.95 31.57 1ni5 s ARG 173 CO 0.20 0.32 0.05 1.67 0.00 0.00 0.00 175.30 177.54 1ni5 s TRP 174 N 0.23 0.31 0.55 -0.53 -2.14 -1.26 -5.05 118.94 111.05 1ni5 s TRP 174 Ca 0.04 -0.71 0.02 0.00 2.66 0.00 0.00 56.10 58.11 1ni5 s TRP 174 Cb -0.12 -0.22 0.04 0.00 -3.10 0.00 0.00 33.47 30.06 1ni5 s TRP 174 CO 0.01 -0.37 0.77 0.96 -2.66 0.00 0.00 176.95 175.65 1ni5 s ILE 175 N -3.05 2.65 -0.31 0.66 -4.36 -1.18 -4.91 121.20 110.70 1ni5 s ILE 175 Ca -0.01 -0.71 -0.12 0.00 -0.26 0.00 0.00 60.65 59.55 1ni5 s ILE 175 Cb 0.02 -2.94 0.19 0.00 1.25 0.00 0.00 42.46 40.97 1ni5 s ILE 175 CO -0.07 0.00 1.12 -1.83 0.24 0.00 0.00 174.94 174.40 1ni5 s GLU 176 N -4.74 0.07 -0.67 0.37 -1.05 -1.26 -3.95 118.70 107.47 1ni5 s GLU 176 Ca 0.58 -0.02 -0.14 0.00 -0.15 0.00 0.00 54.97 55.23 1ni5 s GLU 176 Cb -0.10 0.01 0.17 0.00 -0.44 0.00 0.00 34.13 33.77 1ni5 s GLU 176 CO 0.38 -0.10 0.61 0.34 0.95 0.00 0.00 175.26 177.45 1ni5 s ASP 177 N 1.95 6.40 0.47 0.83 -1.08 -1.26 -4.94 116.67 119.04 1ni5 s ASP 177 Ca 0.15 -2.22 0.33 0.00 -0.52 0.00 0.00 52.55 50.29 1ni5 s ASP 177 Cb 0.05 -2.19 1.45 0.00 -1.46 0.00 0.00 42.92 40.76 1ni5 s ASP 177 CO -0.16 -0.71 1.68 -0.08 0.52 0.00 0.00 175.17 176.42 1ni5 h GLU 178 N 8.34 0.11 -5.77 4.34 4.81 -2.07 -3.46 114.58 120.87 1ni5 h GLU 178 Ca -0.11 -0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 58.81 1ni5 h GLU 178 Cb 1.07 -0.02 0.14 0.00 0.63 0.00 0.00 28.75 30.56 1ni5 h GLU 178 CO 0.90 0.07 -0.83 -1.13 -0.73 0.00 0.00 179.01 177.29 1ni5 n SER 179 N -4.44 -6.21 -0.36 1.04 3.41 -1.26 -4.90 113.62 100.90 1ni5 n SER 179 Ca 0.34 -0.78 -0.09 0.00 -0.26 0.00 0.00 58.87 58.07 1ni5 n SER 179 Cb 1.39 -4.44 -0.09 0.00 -0.26 0.00 0.00 64.21 60.82 1ni5 n SER 179 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ni5 n ASN 180 N -2.88 -0.91 0.00 4.04 3.02 -1.26 -1.64 115.26 115.63 1ni5 n ASN 180 Ca -0.08 1.60 0.00 0.00 -0.03 0.00 0.00 54.58 56.07 1ni5 n ASN 180 Cb 0.60 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1ni5 n ASN 180 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ni5 n GLN 181 N -5.00 0.00 -0.39 3.52 1.13 -1.26 -1.59 117.38 113.79 1ni5 n GLN 181 Ca 0.02 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.15 1ni5 n GLN 181 Cb 0.22 -1.14 0.25 0.00 0.11 0.00 0.00 30.24 29.68 1ni5 n GLN 181 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1ni5 n ASP 182 N -0.60 3.30 0.00 1.08 9.92 -0.65 -4.30 116.55 125.30 1ni5 n ASP 182 Ca 0.00 -2.22 0.01 0.00 -0.53 0.00 0.00 54.79 52.05 1ni5 n ASP 182 Cb 0.00 -0.44 0.06 0.00 -0.64 0.00 0.00 41.12 40.09 1ni5 n ASP 182 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ni5 n ASP 183 N 0.83 0.00 -0.74 -2.24 -0.08 -0.62 -1.01 116.55 112.68 1ni5 n ASP 183 Ca 0.18 0.49 0.09 0.00 -1.51 0.00 0.00 54.79 54.03 1ni5 n ASP 183 Cb 0.60 -0.49 0.26 0.00 2.34 0.00 0.00 41.12 43.83 1ni5 n ASP 183 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1ni5 n SER 184 N -1.49 2.18 -4.05 1.67 3.41 -1.26 -4.07 113.62 110.01 1ni5 n SER 184 Ca 0.01 -1.90 -0.33 0.00 -0.26 0.00 0.00 58.87 56.39 1ni5 n SER 184 Cb 0.03 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 63.63 1ni5 n SER 184 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1ni5 s TYR 185 N -1.56 3.60 0.00 7.33 1.51 -0.18 -5.04 117.35 123.01 1ni5 s TYR 185 Ca 0.31 -2.82 0.00 0.00 -1.01 0.00 0.00 57.07 53.55 1ni5 s TYR 185 Cb 0.16 -3.03 0.00 0.00 -0.11 0.00 0.00 41.96 38.98 1ni5 s TYR 185 CO 0.23 -0.92 0.00 -0.25 -1.11 0.00 0.00 175.55 173.50 1ni5 n ASP 186 N 4.14 0.00 0.30 2.29 8.00 -1.26 0.35 116.55 130.36 1ni5 n ASP 186 Ca 0.03 0.00 0.20 0.00 0.71 0.00 0.00 54.79 55.72 1ni5 n ASP 186 Cb 0.40 0.00 1.02 0.00 -0.02 0.00 0.00 41.12 42.52 1ni5 n ASP 186 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1ni5 h ARG 187 N 0.00 0.00 0.12 -1.24 2.43 -1.95 -2.42 114.38 111.32 1ni5 h ARG 187 Ca 0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 1ni5 h ARG 187 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1ni5 h ARG 187 CO 0.00 0.00 -1.25 -0.91 -1.51 0.00 0.00 179.97 176.30 1ni5 h ASN 188 N 0.00 0.39 -0.04 -3.80 2.35 -0.36 -3.21 115.58 110.90 1ni5 h ASN 188 Ca 0.00 -0.87 0.01 0.00 -0.55 0.00 0.00 56.30 54.89 1ni5 h ASN 188 Cb 0.09 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1ni5 h ASN 188 CO 0.00 1.56 0.14 0.15 -1.65 0.00 0.00 177.43 177.63 1ni5 h PHE 189 N -0.34 0.00 0.00 1.19 3.57 -1.48 -2.52 116.94 117.36 1ni5 h PHE 189 Ca -0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1ni5 h PHE 189 Cb 1.71 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.45 1ni5 h PHE 189 CO 0.14 0.00 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.06 1ni5 h LEU 190 N 0.00 0.00 -1.52 0.59 3.38 -1.58 -2.71 115.31 113.47 1ni5 h LEU 190 Ca 0.02 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.26 1ni5 h LEU 190 Cb 0.30 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1ni5 h LEU 190 CO -0.00 0.31 0.69 -0.09 0.09 0.00 0.00 178.44 179.43 1ni5 h ARG 191 N -0.51 0.30 0.09 1.13 9.65 -1.54 -0.29 114.38 123.21 1ni5 h ARG 191 Ca 0.00 -0.02 -0.37 0.00 -1.10 0.00 0.00 59.98 58.49 1ni5 h ARG 191 Cb 0.10 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 1ni5 h ARG 191 CO 0.00 0.20 -2.10 1.28 2.80 0.00 0.00 179.97 182.15 1ni5 n LEU 192 N -4.52 2.69 -0.03 3.80 4.77 -0.96 -4.19 117.00 118.57 1ni5 n LEU 192 Ca 0.24 0.13 -0.03 0.00 -0.03 0.00 0.00 56.01 56.32 1ni5 n LEU 192 Cb 0.92 -1.07 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1ni5 n LEU 192 CO 0.29 0.86 -0.25 0.54 -1.33 0.00 0.00 177.39 177.50 1ni5 n ARG 193 N -3.47 0.20 0.06 3.23 5.12 -1.04 -4.58 116.66 116.18 1ni5 n ARG 193 Ca -0.35 0.08 -0.02 0.00 -1.93 0.00 0.00 57.85 55.62 1ni5 n ARG 193 Cb 1.02 -0.81 -0.01 0.00 -1.16 0.00 0.00 32.46 31.50 1ni5 n ARG 193 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ni5 h VAL 194 N -0.37 0.00 -0.74 1.55 2.07 -1.30 -2.53 116.25 114.93 1ni5 h VAL 194 Ca 0.00 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1ni5 h VAL 194 Cb 0.37 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.01 1ni5 h VAL 194 CO 0.00 0.00 -0.35 0.58 0.02 0.00 0.00 177.57 177.82 1ni5 h VAL 195 N -0.17 0.11 -0.52 2.57 2.07 -1.33 0.42 116.25 119.41 1ni5 h VAL 195 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1ni5 h VAL 195 Cb 0.12 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 1ni5 h VAL 195 CO 0.03 0.00 0.30 1.55 0.02 0.00 0.00 177.57 179.47 1ni5 h PRO 196 N -0.10 0.58 -0.77 1.57 0.13 -1.73 0.30 132.00 131.97 1ni5 h PRO 196 Ca 0.28 -0.03 0.17 0.00 -0.87 0.00 0.00 66.00 65.54 1ni5 h PRO 196 Cb 0.57 -0.13 -0.05 0.00 0.13 0.00 0.00 31.00 31.52 1ni5 h PRO 196 CO -0.79 0.38 0.52 1.25 -0.23 0.00 0.00 178.00 179.13 1ni5 h LEU 197 N 0.60 0.34 0.04 1.56 6.46 -0.54 -0.57 115.31 123.20 1ni5 h LEU 197 Ca 0.21 0.02 -0.14 0.00 -0.12 0.00 0.00 57.88 57.86 1ni5 h LEU 197 Cb 0.04 -0.04 0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1ni5 h LEU 197 CO -0.10 0.17 -0.57 -0.07 -0.62 0.00 0.00 178.44 177.25 1ni5 h LEU 198 N 0.36 0.43 -0.76 2.25 3.38 0.89 -3.18 115.31 118.68 1ni5 h LEU 198 Ca 0.38 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1ni5 h LEU 198 Cb 0.97 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1ni5 h LEU 198 CO -0.11 1.21 0.00 1.67 0.09 0.00 0.00 178.44 181.30 1ni5 n GLN 199 N -4.26 0.08 0.08 1.13 7.27 0.82 -0.57 117.38 121.93 1ni5 n GLN 199 Ca -0.11 0.55 -0.03 0.00 0.07 0.00 0.00 57.00 57.48 1ni5 n GLN 199 Cb 0.67 -1.75 -0.02 0.00 2.41 0.00 0.00 30.24 31.55 1ni5 n GLN 199 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1ni5 h GLN 200 N 0.00 -0.21 0.00 3.69 4.15 -1.25 -1.44 115.11 120.06 1ni5 h GLN 200 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1ni5 h GLN 200 Cb 0.04 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1ni5 h GLN 200 CO 0.00 -0.14 0.00 -0.09 -1.93 0.00 0.00 178.83 176.67 1ni5 h ARG 201 N -0.26 0.00 -2.75 1.69 9.65 -1.69 -3.37 114.38 117.65 1ni5 h ARG 201 Ca -0.02 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 58.26 1ni5 h ARG 201 Cb 0.16 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 28.35 1ni5 h ARG 201 CO 0.04 0.00 -0.80 -1.58 2.80 0.00 0.00 179.97 180.43 1ni5 s TRP 202 N -3.22 1.78 0.54 2.20 0.51 0.26 -4.99 118.94 116.02 1ni5 s TRP 202 Ca 0.07 -2.42 0.26 0.00 -2.12 0.00 0.00 56.10 51.89 1ni5 s TRP 202 Cb 0.07 -1.57 1.43 0.00 -0.81 0.00 0.00 33.47 32.59 1ni5 s TRP 202 CO 0.63 -0.76 2.01 -1.00 -0.51 0.00 0.00 176.95 177.32 1ni5 h PRO 203 N 6.22 0.00 -0.45 4.98 0.13 -1.43 -1.91 132.00 139.54 1ni5 h PRO 203 Ca 0.11 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.01 1ni5 h PRO 203 Cb 0.90 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.89 1ni5 h PRO 203 CO 0.45 0.00 0.03 0.72 -0.23 0.00 0.00 178.00 178.97 1ni5 n HIS 204 N -4.25 1.39 -0.11 1.56 8.25 -1.26 -4.73 115.22 116.06 1ni5 n HIS 204 Ca 0.08 -1.63 -0.05 0.00 -0.26 0.00 0.00 57.72 55.86 1ni5 n HIS 204 Cb 0.55 -0.56 0.02 0.00 1.12 0.00 0.00 29.99 31.13 1ni5 n HIS 204 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1ni5 h PHE 205 N 1.03 0.02 -0.03 4.41 3.57 -1.67 -0.84 116.94 123.45 1ni5 h PHE 205 Ca 0.28 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.81 1ni5 h PHE 205 Cb 1.84 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 40.63 1ni5 h PHE 205 CO 1.12 -0.05 0.02 0.00 -2.23 0.00 0.00 178.31 177.18 1ni5 h ALA 206 N 1.31 1.77 -0.01 2.41 0.00 -1.85 -1.49 119.26 121.41 1ni5 h ALA 206 Ca 0.18 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.84 1ni5 h ALA 206 Cb 0.24 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ni5 h ALA 206 CO -0.29 -0.04 -1.01 1.49 0.00 0.00 0.00 179.25 179.41 1ni5 h GLU 207 N 0.00 0.63 -0.38 0.00 4.81 -1.54 -3.03 114.58 115.07 1ni5 h GLU 207 Ca 0.01 -0.67 -0.05 0.00 -0.13 0.00 0.00 59.36 58.52 1ni5 h GLU 207 Cb 0.06 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1ni5 h GLU 207 CO -0.00 1.27 0.01 0.00 -0.73 0.00 0.00 179.01 179.55 1ni5 h ALA 208 N 0.50 1.31 -0.36 2.92 0.00 -0.51 -2.62 119.26 120.49 1ni5 h ALA 208 Ca -0.11 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1ni5 h ALA 208 Cb 1.65 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1ni5 h ALA 208 CO 0.19 0.47 -0.26 1.15 0.00 0.00 0.00 179.25 180.81 1ni5 h THR 209 N 0.57 1.27 -0.24 0.00 2.02 -1.35 -1.02 112.91 114.17 1ni5 h THR 209 Ca 0.12 -1.38 -0.10 0.00 0.77 0.00 0.00 66.41 65.82 1ni5 h THR 209 Cb 0.35 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1ni5 h THR 209 CO 0.01 0.46 -0.28 0.00 0.37 0.00 0.00 175.52 176.07 1ni5 h ALA 210 N 1.06 1.07 -0.16 6.16 0.00 -1.39 0.95 119.26 126.95 1ni5 h ALA 210 Ca 0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ni5 h ALA 210 Cb 0.77 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ni5 h ALA 210 CO 0.06 0.57 0.09 -0.09 0.00 0.00 0.00 179.25 179.88 1ni5 h ARG 211 N 0.41 0.22 -0.32 0.00 2.43 -1.06 0.20 114.38 116.26 1ni5 h ARG 211 Ca 0.06 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1ni5 h ARG 211 Cb 0.71 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1ni5 h ARG 211 CO 0.05 0.23 0.12 0.77 -1.51 0.00 0.00 179.97 179.63 1ni5 h SER 212 N 0.15 0.45 -0.36 -3.80 0.02 -0.75 -0.97 113.55 108.29 1ni5 h SER 212 Ca 0.06 -0.17 0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1ni5 h SER 212 Cb 0.07 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.43 1ni5 h SER 212 CO -0.01 0.50 -0.05 0.00 -1.14 0.00 0.00 176.83 176.13 1ni5 h ALA 213 N 0.97 0.28 -0.98 3.77 0.00 -0.51 -0.30 119.26 122.49 1ni5 h ALA 213 Ca 0.11 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1ni5 h ALA 213 Cb 0.20 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1ni5 h ALA 213 CO -0.01 -0.44 0.64 0.00 0.00 0.00 0.00 179.25 179.44 1ni5 h ALA 214 N 1.35 1.42 -0.22 0.00 0.00 -0.22 -1.23 119.26 120.37 1ni5 h ALA 214 Ca 0.18 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1ni5 h ALA 214 Cb 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ni5 h ALA 214 CO -0.34 0.43 -0.41 -0.07 0.00 0.00 0.00 179.25 178.86 1ni5 h LEU 215 N 1.15 0.53 -0.56 0.00 3.38 0.11 -0.76 115.31 119.16 1ni5 h LEU 215 Ca 0.42 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1ni5 h LEU 215 Cb 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1ni5 h LEU 215 CO -0.16 0.88 0.15 0.00 0.09 0.00 0.00 178.44 179.40 1ni5 h ALA 217 N 1.03 0.29 -0.98 0.00 0.00 -0.95 -1.47 119.26 117.18 1ni5 h ALA 217 Ca 0.18 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1ni5 h ALA 217 Cb 0.33 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1ni5 h ALA 217 CO 0.00 -0.18 0.62 1.49 0.00 0.00 0.00 179.25 181.18 1ni5 h GLU 218 N 0.26 0.92 -0.39 0.00 4.81 -0.85 -0.95 114.58 118.38 1ni5 h GLU 218 Ca 0.08 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.10 1ni5 h GLU 218 Cb 0.07 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1ni5 h GLU 218 CO -0.01 0.61 -0.34 1.96 -0.73 0.00 0.00 179.01 180.49 1ni5 h GLN 219 N 0.95 0.93 -0.27 1.92 1.08 -0.94 -0.80 115.11 117.98 1ni5 h GLN 219 Ca 0.48 -0.47 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1ni5 h GLN 219 Cb 0.51 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1ni5 h GLN 219 CO -0.25 1.13 -0.06 0.93 -0.95 0.00 0.00 178.83 179.63 1ni5 h GLU 220 N 0.75 0.42 0.00 1.46 4.39 -0.32 -0.01 114.58 121.27 1ni5 h GLU 220 Ca 0.07 -0.10 -0.14 0.00 0.34 0.00 0.00 59.36 59.53 1ni5 h GLU 220 Cb 0.94 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1ni5 h GLU 220 CO 0.09 0.50 -0.69 0.66 -1.16 0.00 0.00 179.01 178.41 1ni5 h SER 221 N 0.40 0.00 -0.31 1.42 4.64 -1.01 -0.12 113.55 118.57 1ni5 h SER 221 Ca 0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 1ni5 h SER 221 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1ni5 h SER 221 CO 0.02 0.69 0.10 0.25 -0.87 0.00 0.00 176.83 177.01 1ni5 h LEU 222 N 0.00 0.46 -0.88 5.97 6.46 0.22 -1.04 115.31 126.50 1ni5 h LEU 222 Ca -0.01 -0.21 -0.04 0.00 -0.12 0.00 0.00 57.88 57.51 1ni5 h LEU 222 Cb 1.31 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 41.08 1ni5 h LEU 222 CO 0.09 0.54 0.35 -0.07 -0.62 0.00 0.00 178.44 178.73 1ni5 h LEU 223 N 0.35 1.07 -0.52 2.25 3.38 -0.83 0.53 115.31 121.54 1ni5 h LEU 223 Ca 0.10 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1ni5 h LEU 223 Cb 0.25 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 1ni5 h LEU 223 CO -0.00 0.92 0.05 0.44 0.09 0.00 0.00 178.44 179.93 1ni5 h ASP 224 N 1.14 -0.13 0.90 -0.43 3.32 -0.31 0.60 116.42 121.51 1ni5 h ASP 224 Ca 0.27 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.39 1ni5 h ASP 224 Cb 0.17 0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.91 1ni5 h ASP 224 CO -0.03 -0.04 -0.43 -0.08 -1.72 0.00 0.00 179.24 176.94 1ni5 h GLU 225 N 0.17 -1.16 -0.48 3.56 4.81 -0.54 -1.78 114.58 119.16 1ni5 h GLU 225 Ca 0.27 0.08 0.14 0.00 -0.13 0.00 0.00 59.36 59.71 1ni5 h GLU 225 Cb 0.39 0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1ni5 h GLU 225 CO -0.40 -0.77 0.42 -0.07 -0.73 0.00 0.00 179.01 177.45 1ni5 h LEU 226 N -1.27 0.00 0.00 1.64 3.38 -0.16 -2.20 115.31 116.71 1ni5 h LEU 226 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ni5 h LEU 226 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1ni5 h LEU 226 CO 0.20 0.00 -1.25 0.18 0.09 0.00 0.00 178.44 177.67 1ni5 n LEU 227 N -4.00 0.64 -0.24 1.67 4.77 0.20 -4.67 117.00 115.37 1ni5 n LEU 227 Ca 0.09 -0.25 -0.06 0.00 -0.03 0.00 0.00 56.01 55.75 1ni5 n LEU 227 Cb 0.62 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 1ni5 n LEU 227 CO 0.32 0.14 0.29 0.00 -1.33 0.00 0.00 177.39 176.80 1ni5 n ALA 228 N -1.77 -0.36 0.13 -1.18 0.00 -0.68 -0.35 120.51 116.30 1ni5 n ALA 228 Ca 0.02 0.48 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 1ni5 n ALA 228 Cb 0.41 -0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 1ni5 n ALA 228 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ni5 h ASP 229 N 0.00 -0.82 -0.91 0.00 3.45 -1.83 0.25 116.42 116.56 1ni5 h ASP 229 Ca 0.09 0.09 0.20 0.00 0.43 0.00 0.00 57.03 57.84 1ni5 h ASP 229 Cb 0.23 0.31 -0.11 0.00 -0.56 0.00 0.00 39.33 39.19 1ni5 h ASP 229 CO -0.54 -0.38 0.47 0.44 -1.57 0.00 0.00 179.24 177.66 1ni5 h ASP 230 N -0.52 0.50 -0.10 6.45 3.32 -1.00 0.12 116.42 125.19 1ni5 h ASP 230 Ca 0.02 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1ni5 h ASP 230 Cb 0.54 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1ni5 h ASP 230 CO -0.15 0.11 -0.04 0.25 -1.72 0.00 0.00 179.24 177.69 1ni5 h LEU 231 N 0.54 0.21 -0.53 1.55 6.46 0.03 -1.72 115.31 121.85 1ni5 h LEU 231 Ca 0.55 -0.40 0.09 0.00 -0.12 0.00 0.00 57.88 58.00 1ni5 h LEU 231 Cb 0.95 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.75 1ni5 h LEU 231 CO -0.45 0.56 0.13 0.00 -0.62 0.00 0.00 178.44 178.05 1ni5 h ALA 232 N 0.66 0.62 -0.03 1.25 0.00 0.12 0.10 119.26 121.97 1ni5 h ALA 232 Ca 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ni5 h ALA 232 Cb 0.48 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ni5 h ALA 232 CO 0.01 -0.28 0.01 1.25 0.00 0.00 0.00 179.25 180.23 1ni5 h HIS 233 N 0.27 0.06 0.00 0.00 -0.00 -1.02 -3.22 115.15 111.24 1ni5 h HIS 233 Ca 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1ni5 h HIS 233 Cb 0.36 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1ni5 h HIS 233 CO -0.22 0.28 0.00 0.00 -0.00 0.00 0.00 177.93 177.99 1ni5 s GLN 235 N -3.29 4.08 0.96 0.00 0.74 0.33 0.95 119.66 123.42 1ni5 s GLN 235 Ca 0.06 0.34 -0.16 0.00 0.05 0.00 0.00 55.36 55.65 1ni5 s GLN 235 Cb 0.07 -3.65 0.19 0.00 1.10 0.00 0.00 33.01 30.73 1ni5 s GLN 235 CO 0.61 -0.34 1.30 -1.54 -0.55 0.00 0.00 175.29 174.77 1ni5 s SER 236 N 1.52 3.14 0.15 6.67 1.04 -0.66 -4.83 113.70 120.73 1ni5 s SER 236 Ca 0.22 0.33 0.02 0.00 0.48 0.00 0.00 55.95 57.00 1ni5 s SER 236 Cb -0.16 -0.43 -0.05 0.00 0.10 0.00 0.00 66.02 65.48 1ni5 s SER 236 CO 0.09 -2.72 1.34 -0.65 0.98 0.00 0.00 173.24 172.28 1ni5 h PRO 237 N -1.63 0.21 -0.49 4.02 0.11 -1.96 -3.23 132.00 129.02 1ni5 h PRO 237 Ca -0.45 -0.24 -0.01 0.00 0.11 0.00 0.00 66.00 65.42 1ni5 h PRO 237 Cb 1.25 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 1ni5 h PRO 237 CO 0.40 0.99 0.28 1.96 -0.21 0.00 0.00 178.00 181.43 1ni5 h GLN 238 N 0.11 0.67 0.00 1.05 7.50 -2.03 -3.46 115.11 118.95 1ni5 h GLN 238 Ca -0.05 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.04 1ni5 h GLN 238 Cb 1.57 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.96 1ni5 h GLN 238 CO 0.14 0.49 0.00 0.41 -1.50 0.00 0.00 178.83 178.37 1ni5 n GLY 239 N -1.33 1.88 3.85 3.46 0.00 -1.22 -5.13 105.19 106.70 1ni5 n GLY 239 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1ni5 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ni5 s THR 240 N -2.00 1.60 -0.15 2.61 -4.23 -1.26 -4.70 115.64 107.51 1ni5 s THR 240 Ca 0.00 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 58.88 1ni5 s THR 240 Cb 0.00 -2.25 0.01 0.00 1.34 0.00 0.00 72.50 71.61 1ni5 s THR 240 CO 0.00 0.00 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.66 1ni5 s LEU 241 N -4.13 2.06 -0.02 4.79 2.96 -0.86 -1.65 118.68 121.82 1ni5 s LEU 241 Ca 0.27 -0.60 -0.30 0.00 -0.22 0.00 0.00 54.13 53.28 1ni5 s LEU 241 Cb -0.01 -1.41 -0.06 0.00 0.50 0.00 0.00 46.19 45.21 1ni5 s LEU 241 CO 0.16 0.04 1.55 -1.10 -1.32 0.00 0.00 176.35 175.68 1ni5 s GLN 242 N 1.03 4.22 -0.06 1.98 -1.52 0.27 -1.11 119.66 124.47 1ni5 s GLN 242 Ca -0.02 2.11 -0.25 0.00 -1.95 0.00 0.00 55.36 55.24 1ni5 s GLN 242 Cb -0.14 -3.77 -0.23 0.00 -0.22 0.00 0.00 33.01 28.65 1ni5 s GLN 242 CO -0.06 -0.73 1.03 0.82 -0.25 0.00 0.00 175.29 176.10 1ni5 h ILE 243 N 5.22 1.56 -0.82 1.08 2.04 -1.72 -3.36 117.51 121.50 1ni5 h ILE 243 Ca -0.38 -1.85 0.19 0.00 1.00 0.00 0.00 64.86 63.82 1ni5 h ILE 243 Cb 1.18 2.74 -0.15 0.00 -0.74 0.00 0.00 36.82 39.85 1ni5 h ILE 243 CO 0.94 0.50 -0.02 0.58 0.00 0.00 0.00 178.15 180.14 1ni5 h VAL 244 N -0.58 0.25 0.00 1.67 2.07 -1.92 -2.65 116.25 115.09 1ni5 h VAL 244 Ca -0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1ni5 h VAL 244 Cb 0.89 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1ni5 h VAL 244 CO 0.03 0.01 0.00 -2.65 0.02 0.00 0.00 177.57 174.98 1ni5 n PRO 245 N -5.40 0.27 0.00 1.57 -0.02 -1.26 -4.45 135.00 125.71 1ni5 n PRO 245 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1ni5 n PRO 245 Cb 0.52 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 1ni5 n PRO 245 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ni5 n LEU 247 N 1.24 0.00 -1.49 2.45 4.77 -1.00 -5.08 117.00 117.88 1ni5 n LEU 247 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1ni5 n LEU 247 Cb 0.14 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1ni5 n LEU 247 CO 0.00 0.00 0.86 0.00 -1.33 0.00 0.00 177.39 176.92 1ni5 n ALA 248 N 0.00 3.83 -2.55 -1.18 0.00 -1.26 -5.13 120.51 114.22 1ni5 n ALA 248 Ca 0.00 -0.92 -0.24 0.00 0.00 0.00 0.00 53.44 52.28 1ni5 n ALA 248 Cb 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.20 1ni5 n ALA 248 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ni5 s SER 250 N 0.49 4.03 0.21 0.00 1.04 -1.26 -5.16 113.70 113.04 1ni5 s SER 250 Ca 0.18 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 55.67 1ni5 s SER 250 Cb 0.15 -0.55 0.29 0.00 0.10 0.00 0.00 66.02 66.00 1ni5 s SER 250 CO 0.02 0.03 1.66 0.44 0.98 0.00 0.00 173.24 176.37 1ni5 h ASP 251 N 2.22 -0.31 -0.53 7.02 3.32 -2.00 -0.24 116.42 125.90 1ni5 h ASP 251 Ca -0.43 0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 1ni5 h ASP 251 Cb 1.25 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 41.06 1ni5 h ASP 251 CO 0.59 -0.13 0.13 0.00 -1.72 0.00 0.00 179.24 178.12 1ni5 h ALA 252 N 1.57 0.70 0.32 3.45 0.00 -2.04 -0.76 119.26 122.50 1ni5 h ALA 252 Ca 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ni5 h ALA 252 Cb 0.51 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ni5 h ALA 252 CO -0.54 0.39 -0.31 0.00 0.00 0.00 0.00 179.25 178.79 1ni5 h ARG 253 N 0.74 -0.61 -0.65 0.00 2.47 -1.75 -0.47 114.38 114.11 1ni5 h ARG 253 Ca 0.17 0.04 0.09 0.00 -1.26 0.00 0.00 59.98 59.02 1ni5 h ARG 253 Cb 0.33 0.14 -0.11 0.00 -1.65 0.00 0.00 29.97 28.67 1ni5 h ARG 253 CO 0.00 -0.40 -0.44 0.00 0.56 0.00 0.00 179.97 179.69 1ni5 h ARG 254 N -0.63 -0.18 -0.56 0.04 3.08 -0.97 -1.08 114.38 114.07 1ni5 h ARG 254 Ca -0.04 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1ni5 h ARG 254 Cb 0.54 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 1ni5 h ARG 254 CO -0.03 -0.12 0.20 0.00 -1.07 0.00 0.00 179.97 178.94 1ni5 h ALA 255 N 0.69 0.70 -0.41 0.04 0.00 -0.96 0.40 119.26 119.73 1ni5 h ALA 255 Ca 0.19 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ni5 h ALA 255 Cb 0.56 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ni5 h ALA 255 CO -0.73 -0.21 0.26 0.00 0.00 0.00 0.00 179.25 178.56 1ni5 h ALA 256 N 1.39 1.68 0.17 0.00 0.00 0.12 0.20 119.26 122.82 1ni5 h ALA 256 Ca 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ni5 h ALA 256 Cb 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ni5 h ALA 256 CO -0.29 0.29 -0.08 0.82 0.00 0.00 0.00 179.25 179.99 1ni5 h ILE 257 N 0.56 0.55 -0.94 0.00 1.08 -0.11 -1.35 117.51 117.31 1ni5 h ILE 257 Ca 0.15 -1.10 0.22 0.00 -0.39 0.00 0.00 64.86 63.73 1ni5 h ILE 257 Cb -0.04 0.97 -0.12 0.00 -3.07 0.00 0.00 36.82 34.56 1ni5 h ILE 257 CO -0.03 0.16 0.49 0.40 -0.69 0.00 0.00 178.15 178.48 1ni5 h ILE 258 N -0.97 0.56 0.70 -0.67 2.04 -0.09 0.50 117.51 119.56 1ni5 h ILE 258 Ca -0.02 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1ni5 h ILE 258 Cb 0.43 -0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1ni5 h ILE 258 CO 0.04 0.10 -0.33 -0.09 0.00 0.00 0.00 178.15 177.86 1ni5 h ARG 259 N 0.53 -0.90 -0.49 2.37 2.43 -0.62 -0.25 114.38 117.45 1ni5 h ARG 259 Ca 0.58 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 1ni5 h ARG 259 Cb 1.04 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1ni5 h ARG 259 CO -0.47 -0.60 0.31 0.00 -1.51 0.00 0.00 179.97 177.70 1ni5 h ARG 260 N -0.94 0.65 -0.07 0.20 3.08 0.01 -1.66 114.38 115.64 1ni5 h ARG 260 Ca -0.10 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1ni5 h ARG 260 Cb 0.72 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1ni5 h ARG 260 CO 0.16 0.44 0.01 2.35 -1.07 0.00 0.00 179.97 181.86 1ni5 h TRP 261 N 0.67 0.13 -0.04 3.04 7.01 0.17 -2.37 115.95 124.55 1ni5 h TRP 261 Ca 0.18 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1ni5 h TRP 261 Cb -0.05 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 26.97 1ni5 h TRP 261 CO 0.00 0.34 0.01 -0.07 -2.79 0.00 0.00 178.44 175.93 1ni5 h LEU 262 N -0.12 0.05 -0.78 0.65 3.38 -0.65 -0.18 115.31 117.66 1ni5 h LEU 262 Ca 0.02 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1ni5 h LEU 262 Cb 0.28 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1ni5 h LEU 262 CO 0.00 0.05 -0.16 0.00 0.09 0.00 0.00 178.44 178.42 1ni5 h ALA 263 N 1.96 0.96 -0.74 1.53 0.00 -0.98 -1.57 119.26 120.42 1ni5 h ALA 263 Ca 0.02 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1ni5 h ALA 263 Cb 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1ni5 h ALA 263 CO -0.00 0.61 0.49 0.78 0.00 0.00 0.00 179.25 181.13 1ni5 h GLY 264 N 0.97 1.05 0.22 0.00 0.00 -0.52 0.35 103.07 105.14 1ni5 h GLY 264 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ni5 h GLY 264 CO 0.05 0.38 0.00 -1.06 0.00 0.00 0.00 176.54 175.91 1ni5 n GLN 265 N -4.42 0.96 -3.71 4.80 1.13 -1.10 -4.84 117.38 110.20 1ni5 n GLN 265 Ca 0.08 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.90 1ni5 n GLN 265 Cb 0.03 -1.11 0.03 0.00 0.11 0.00 0.00 30.24 29.30 1ni5 n GLN 265 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1ni5 n ASN 266 N -0.61 -2.56 -4.97 1.08 5.03 0.12 -4.97 115.26 108.39 1ni5 n ASN 266 Ca 0.05 -0.90 -0.21 0.00 0.87 0.00 0.00 54.58 54.38 1ni5 n ASN 266 Cb 0.02 -3.76 -0.01 0.00 -1.02 0.00 0.00 39.78 35.01 1ni5 n ASN 266 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ni5 s ALA 267 N -3.65 3.93 0.00 5.41 0.00 -0.61 -5.03 121.76 121.81 1ni5 s ALA 267 Ca 0.17 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1ni5 s ALA 267 Cb -0.05 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1ni5 s ALA 267 CO 0.84 -0.05 0.00 -0.35 0.00 0.00 0.00 175.76 176.19 1ni5 n PRO 268 N -1.73 0.00 -4.07 0.00 -0.04 -1.26 -4.73 135.00 123.18 1ni5 n PRO 268 Ca -0.03 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 1ni5 n PRO 268 Cb 0.57 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.93 1ni5 n PRO 268 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1ni5 s PRO 270 N 0.00 0.55 0.31 0.54 0.02 -1.26 -5.01 135.00 130.16 1ni5 s PRO 270 Ca 0.00 -1.03 -0.27 0.00 0.02 0.00 0.00 61.00 59.73 1ni5 s PRO 270 Cb 0.00 0.08 -0.10 0.00 0.02 0.00 0.00 34.50 34.50 1ni5 s PRO 270 CO 0.00 -0.07 0.95 -1.54 -0.33 0.00 0.00 177.00 176.02 1ni5 s SER 271 N -2.42 7.35 0.52 2.53 1.04 -1.26 -4.90 113.70 116.56 1ni5 s SER 271 Ca -0.00 1.87 0.30 0.00 0.48 0.00 0.00 55.95 58.60 1ni5 s SER 271 Cb 0.01 -2.58 1.42 0.00 0.10 0.00 0.00 66.02 64.97 1ni5 s SER 271 CO -0.06 -0.06 1.87 0.03 0.98 0.00 0.00 173.24 176.01 1ni5 h ARG 272 N 3.29 0.07 0.02 4.02 -0.00 -2.00 0.74 114.38 120.51 1ni5 h ARG 272 Ca -0.47 -0.00 -0.21 0.00 -0.50 0.00 0.00 59.98 58.80 1ni5 h ARG 272 Cb 1.19 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 31.13 1ni5 h ARG 272 CO 0.65 0.04 -0.97 0.22 0.00 0.00 0.00 179.97 179.91 1ni5 h ASP 273 N 0.07 0.10 -0.20 7.04 1.82 -1.99 -2.70 116.42 120.55 1ni5 h ASP 273 Ca 0.45 -0.09 0.01 0.00 -0.39 0.00 0.00 57.03 57.01 1ni5 h ASP 273 Cb 1.69 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 41.65 1ni5 h ASP 273 CO -0.04 1.01 0.09 0.00 -1.61 0.00 0.00 179.24 178.69 1ni5 h ALA 274 N 0.98 0.23 -0.84 -0.78 0.00 0.07 0.85 119.26 119.78 1ni5 h ALA 274 Ca -0.03 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1ni5 h ALA 274 Cb 1.68 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 1ni5 h ALA 274 CO 0.14 -0.32 0.54 -0.07 0.00 0.00 0.00 179.25 179.53 1ni5 h LEU 275 N 0.20 0.64 -0.14 0.00 3.38 -1.13 0.08 115.31 118.34 1ni5 h LEU 275 Ca 0.08 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1ni5 h LEU 275 Cb 0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ni5 h LEU 275 CO -0.06 0.36 -0.03 0.58 0.09 0.00 0.00 178.44 179.38 1ni5 h VAL 276 N 0.70 1.28 -0.31 1.22 2.07 -0.78 -3.15 116.25 117.28 1ni5 h VAL 276 Ca 0.40 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1ni5 h VAL 276 Cb 0.59 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1ni5 h VAL 276 CO -0.17 0.28 0.18 0.03 0.02 0.00 0.00 177.57 177.91 1ni5 h ARG 277 N -0.03 0.43 -0.67 1.57 3.08 0.12 -2.05 114.38 116.83 1ni5 h ARG 277 Ca 0.04 -0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.18 1ni5 h ARG 277 Cb 0.44 -0.09 -0.12 0.00 0.08 0.00 0.00 29.97 30.28 1ni5 h ARG 277 CO 0.01 0.35 -0.11 0.82 -1.07 0.00 0.00 179.97 179.97 1ni5 h ILE 278 N 0.39 0.36 -0.04 2.04 2.04 -1.04 0.60 117.51 121.86 1ni5 h ILE 278 Ca 0.11 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 1ni5 h ILE 278 Cb 0.04 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1ni5 h ILE 278 CO -0.02 0.01 -0.18 -0.25 0.00 0.00 0.00 178.15 177.71 1ni5 h TRP 279 N 0.03 0.25 -0.28 1.37 2.91 -1.48 -1.28 115.95 117.47 1ni5 h TRP 279 Ca 0.33 -0.11 -0.14 0.00 1.13 0.00 0.00 58.89 60.10 1ni5 h TRP 279 Cb 0.53 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 1ni5 h TRP 279 CO -0.49 0.82 -0.40 1.96 -1.03 0.00 0.00 178.44 179.29 1ni5 h GLN 280 N -0.39 0.68 0.00 2.65 1.08 -1.03 -1.65 115.11 116.44 1ni5 h GLN 280 Ca -0.01 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 1ni5 h GLN 280 Cb 0.84 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1ni5 h GLN 280 CO 0.04 0.96 -1.40 0.39 -0.95 0.00 0.00 178.83 177.87 1ni5 n GLU 281 N -4.03 0.36 0.01 1.46 1.02 0.21 -4.40 120.64 115.25 1ni5 n GLU 281 Ca -0.02 -0.08 -0.01 0.00 -0.02 0.00 0.00 57.16 57.03 1ni5 n GLU 281 Cb 0.53 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1ni5 n GLU 281 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ni5 n VAL 282 N -1.80 0.62 -0.20 2.62 0.31 -0.54 -4.36 118.33 114.97 1ni5 n VAL 282 Ca 0.01 0.22 -0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1ni5 n VAL 282 Cb 0.42 -1.41 0.10 0.00 -0.91 0.00 0.00 33.84 32.04 1ni5 n VAL 282 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ni5 h ALA 283 N -0.33 0.79 -0.24 3.52 0.00 -1.36 -0.64 119.26 121.00 1ni5 h ALA 283 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ni5 h ALA 283 Cb 0.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ni5 h ALA 283 CO 0.00 -0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.36 1ni5 n LEU 284 N -4.97 1.62 -4.89 0.00 4.77 -0.63 -4.88 117.00 108.02 1ni5 n LEU 284 Ca 0.08 -0.75 -0.29 0.00 -0.03 0.00 0.00 56.01 55.02 1ni5 n LEU 284 Cb 0.26 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1ni5 n LEU 284 CO 0.23 0.38 0.41 0.00 -1.33 0.00 0.00 177.39 177.07 1ni5 s ALA 285 N -1.69 3.40 -0.05 -1.18 0.00 -0.25 -4.98 121.76 117.02 1ni5 s ALA 285 Ca 0.27 -0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 1ni5 s ALA 285 Cb 0.14 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 1ni5 s ALA 285 CO 0.20 -0.05 1.25 0.50 0.00 0.00 0.00 175.76 177.66 1ni5 s ARG 286 N -4.01 4.33 0.56 0.00 3.52 -1.26 -4.91 118.95 117.18 1ni5 s ARG 286 Ca 0.49 1.73 0.23 0.00 -0.13 0.00 0.00 55.73 58.06 1ni5 s ARG 286 Cb -0.10 -3.57 1.53 0.00 -1.56 0.00 0.00 34.95 31.25 1ni5 s ARG 286 CO 0.34 -0.49 2.16 0.93 -0.81 0.00 0.00 175.30 177.44 1ni5 h GLU 287 N 7.58 0.00 -1.00 5.12 5.08 -1.92 -0.19 114.58 129.25 1ni5 h GLU 287 Ca -0.35 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1ni5 h GLU 287 Cb 1.16 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 1ni5 h GLU 287 CO 0.89 0.00 0.64 0.22 -1.00 0.00 0.00 179.01 179.76 1ni5 h ASP 288 N 0.00 0.99 -0.55 1.42 1.82 -1.96 -2.31 116.42 115.82 1ni5 h ASP 288 Ca 0.04 0.02 -0.24 0.00 -0.39 0.00 0.00 57.03 56.46 1ni5 h ASP 288 Cb 0.17 -0.19 -0.15 0.00 0.68 0.00 0.00 39.33 39.85 1ni5 h ASP 288 CO -0.00 0.60 0.31 0.00 -1.61 0.00 0.00 179.24 178.54 1ni5 n ALA 289 N -2.36 4.16 -2.32 -0.78 0.00 -0.08 -4.99 120.51 114.14 1ni5 n ALA 289 Ca 0.17 -1.63 -0.09 0.00 0.00 0.00 0.00 53.44 51.89 1ni5 n ALA 289 Cb 0.24 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.47 1ni5 n ALA 289 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ni5 n SER 290 N -0.30 -3.85 -4.76 0.00 7.64 -0.87 -4.87 113.62 106.61 1ni5 n SER 290 Ca 0.32 0.12 -0.40 0.00 1.01 0.00 0.00 58.87 59.92 1ni5 n SER 290 Cb 1.13 -0.98 -0.04 0.00 -1.01 0.00 0.00 64.21 63.30 1ni5 n SER 290 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ni5 s PRO 291 N -0.94 4.65 -0.28 1.43 0.04 -1.26 -5.04 135.00 133.60 1ni5 s PRO 291 Ca 0.09 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1ni5 s PRO 291 Cb -0.01 -3.19 0.11 0.00 0.04 0.00 0.00 34.50 31.45 1ni5 s PRO 291 CO 0.19 0.23 0.65 0.00 0.04 0.00 0.00 177.00 178.12 1ni5 s LEU 293 N 2.31 3.44 -0.11 0.00 2.96 -0.70 -5.01 118.68 121.58 1ni5 s LEU 293 Ca -0.08 -1.20 -0.30 0.00 -0.22 0.00 0.00 54.13 52.34 1ni5 s LEU 293 Cb -0.09 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1ni5 s LEU 293 CO -0.19 -0.19 1.13 -0.60 -1.32 0.00 0.00 176.35 175.18 1ni5 s ARG 294 N 1.20 4.35 -0.57 1.98 3.52 -1.26 -2.14 118.95 126.03 1ni5 s ARG 294 Ca -0.05 1.54 0.05 0.00 -0.13 0.00 0.00 55.73 57.14 1ni5 s ARG 294 Cb -0.19 -3.59 0.20 0.00 -1.56 0.00 0.00 34.95 29.81 1ni5 s ARG 294 CO -0.04 -0.46 0.52 -0.11 -0.81 0.00 0.00 175.30 174.39 1ni5 n LEU 295 N 5.46 1.90 0.00 -0.88 7.94 0.44 -4.99 117.00 126.86 1ni5 n LEU 295 Ca 0.11 -4.98 0.00 0.00 -1.11 0.00 0.00 56.01 50.03 1ni5 n LEU 295 Cb 0.47 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.21 1ni5 n LEU 295 CO 0.54 1.90 0.00 0.61 -1.11 0.00 0.00 177.39 179.33 1ni5 n GLY 296 N 1.84 0.38 0.16 -3.96 0.00 -1.26 -2.99 105.19 99.37 1ni5 n GLY 296 Ca 0.25 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.47 1ni5 n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ni5 h ALA 297 N -0.03 1.00 -1.86 4.61 0.00 -1.98 -3.44 119.26 117.55 1ni5 h ALA 297 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1ni5 h ALA 297 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1ni5 h ALA 297 CO 0.00 0.00 -0.43 -0.06 0.00 0.00 0.00 179.25 178.76 1ni5 s PHE 298 N -3.39 2.97 -0.07 0.00 0.08 -1.16 -1.32 117.98 115.09 1ni5 s PHE 298 Ca 0.04 -0.27 -0.12 0.00 0.12 0.00 0.00 56.93 56.70 1ni5 s PHE 298 Cb 0.09 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.75 1ni5 s PHE 298 CO 0.44 0.16 0.30 -1.83 -0.10 0.00 0.00 175.22 174.19 1ni5 s GLU 299 N -4.03 0.49 -0.09 0.44 -1.05 -0.37 -0.42 118.70 113.67 1ni5 s GLU 299 Ca 0.41 0.13 -0.01 0.00 -0.15 0.00 0.00 54.97 55.35 1ni5 s GLU 299 Cb -0.07 0.22 -0.03 0.00 -0.44 0.00 0.00 34.13 33.81 1ni5 s GLU 299 CO 0.28 -0.10 -0.03 0.42 0.95 0.00 0.00 175.26 176.77 1ni5 s ILE 300 N -0.52 4.01 0.30 1.83 1.01 -0.91 -1.48 121.20 125.45 1ni5 s ILE 300 Ca -0.06 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 1ni5 s ILE 300 Cb -0.04 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 1ni5 s ILE 300 CO 0.02 0.58 0.42 0.00 0.00 0.00 0.00 174.94 175.96 1ni5 s ARG 301 N -0.65 1.70 -0.12 2.79 1.70 -0.67 -1.71 118.95 122.00 1ni5 s ARG 301 Ca 0.10 -1.60 -0.00 0.00 -0.47 0.00 0.00 55.73 53.75 1ni5 s ARG 301 Cb -0.12 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.67 1ni5 s ARG 301 CO 0.02 -0.69 -0.10 0.50 -1.08 0.00 0.00 175.30 173.95 1ni5 s ARG 302 N -3.50 3.25 -0.27 3.89 3.52 -1.23 -0.61 118.95 124.00 1ni5 s ARG 302 Ca 0.30 -0.62 -0.15 0.00 -0.13 0.00 0.00 55.73 55.13 1ni5 s ARG 302 Cb 0.01 -2.67 0.08 0.00 -1.56 0.00 0.00 34.95 30.81 1ni5 s ARG 302 CO 0.16 0.35 0.66 -0.47 -0.81 0.00 0.00 175.30 175.19 1ni5 s TYR 303 N 0.03 -1.03 -1.34 5.12 5.04 -0.58 -4.63 117.35 119.95 1ni5 s TYR 303 Ca -0.03 2.06 -0.06 0.00 -2.44 0.00 0.00 57.07 56.60 1ni5 s TYR 303 Cb -0.14 0.61 0.02 0.00 0.35 0.00 0.00 41.96 42.80 1ni5 s TYR 303 CO 0.04 -0.52 1.02 1.04 -1.34 0.00 0.00 175.55 175.79 1ni5 n GLN 304 N 4.37 -6.66 -3.76 4.97 6.02 -1.26 -2.23 117.38 118.83 1ni5 n GLN 304 Ca -0.20 0.76 -0.25 0.00 -0.01 0.00 0.00 57.00 57.30 1ni5 n GLN 304 Cb 0.58 -5.70 0.04 0.00 1.02 0.00 0.00 30.24 26.18 1ni5 n GLN 304 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ni5 n SER 305 N -3.02 -3.16 -3.80 1.08 7.64 -1.26 -4.96 113.62 106.14 1ni5 n SER 305 Ca -0.12 -0.76 -0.12 0.00 1.01 0.00 0.00 58.87 58.88 1ni5 n SER 305 Cb 0.60 -4.15 -0.09 0.00 -1.01 0.00 0.00 64.21 59.57 1ni5 n SER 305 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ni5 s GLN 306 N -6.23 0.66 -0.16 1.43 -0.21 -0.95 -1.98 119.66 112.24 1ni5 s GLN 306 Ca 0.32 -0.38 -0.07 0.00 0.02 0.00 0.00 55.36 55.24 1ni5 s GLN 306 Cb -0.16 0.29 -0.04 0.00 1.00 0.00 0.00 33.01 34.10 1ni5 s GLN 306 CO 0.81 -0.19 0.10 -0.51 -2.12 0.00 0.00 175.29 173.38 1ni5 s LEU 307 N -1.64 4.10 -0.05 2.90 1.43 -0.27 -1.53 118.68 123.63 1ni5 s LEU 307 Ca -0.10 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 1ni5 s LEU 307 Cb -0.04 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 1ni5 s LEU 307 CO 0.01 0.28 -0.23 0.26 0.23 0.00 0.00 176.35 176.89 1ni5 s TRP 308 N -0.26 2.46 -0.36 0.29 0.52 0.22 -2.04 118.94 119.78 1ni5 s TRP 308 Ca 0.10 -0.59 -0.10 0.00 0.02 0.00 0.00 56.10 55.53 1ni5 s TRP 308 Cb -0.12 -1.59 0.03 0.00 -1.15 0.00 0.00 33.47 30.64 1ni5 s TRP 308 CO 0.01 -0.13 0.18 -0.46 0.02 0.00 0.00 176.95 176.56 1ni5 s TRP 309 N -0.30 3.23 0.04 -1.98 -0.11 -1.26 -1.67 118.94 116.89 1ni5 s TRP 309 Ca 0.01 -1.01 0.01 0.00 1.22 0.00 0.00 56.10 56.32 1ni5 s TRP 309 Cb -0.13 -2.39 -0.03 0.00 -1.50 0.00 0.00 33.47 29.43 1ni5 s TRP 309 CO 0.02 -0.64 -0.05 0.96 -4.62 0.00 0.00 176.95 172.62 1ni5 s ILE 310 N 1.53 0.36 -0.41 5.86 -5.25 -0.55 -5.01 121.20 117.73 1ni5 s ILE 310 Ca 0.02 -1.28 -0.28 0.00 -0.99 0.00 0.00 60.65 58.12 1ni5 s ILE 310 Cb -0.19 -0.81 -0.01 0.00 2.95 0.00 0.00 42.46 44.40 1ni5 s ILE 310 CO 0.06 -0.61 1.73 -0.75 -1.79 0.00 0.00 174.94 173.58 1ni5 s LYS 311 N -2.29 3.24 0.57 0.37 2.47 -1.26 -1.23 119.74 121.61 1ni5 s LYS 311 Ca -0.06 1.15 -0.18 0.00 -1.56 0.00 0.00 55.97 55.33 1ni5 s LYS 311 Cb -0.05 -4.20 -0.11 0.00 -1.46 0.00 0.00 37.83 32.01 1ni5 s LYS 311 CO -0.03 -1.98 0.21 0.45 0.16 0.00 0.00 175.35 174.16 1ni5 n SER 312 N 10.48 -2.33 -3.65 1.43 2.88 -0.44 -4.92 113.62 117.08 1ni5 n SER 312 Ca 0.21 0.67 -0.09 0.00 -1.33 0.00 0.00 58.87 58.33 1ni5 n SER 312 Cb 0.48 -1.03 -0.08 0.00 -0.75 0.00 0.00 64.21 62.84 1ni5 n SER 312 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ni5 s VAL 313 N -1.86 -0.00 0.27 2.46 1.01 -1.26 -4.95 120.40 116.06 1ni5 s VAL 313 Ca 0.62 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 1ni5 s VAL 313 Cb -0.45 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 34.92 1ni5 s VAL 313 CO 0.61 0.01 1.14 0.42 0.00 0.00 0.00 175.10 177.27 1ni5 s THR 314 N 1.38 3.41 1.15 3.92 -4.23 -1.26 -5.01 115.64 115.00 1ni5 s THR 314 Ca -0.08 1.37 -0.18 0.00 -1.18 0.00 0.00 61.69 61.63 1ni5 s THR 314 Cb -0.06 -3.87 0.18 0.00 1.34 0.00 0.00 72.50 70.09 1ni5 s THR 314 CO -0.15 0.31 0.29 0.61 -0.54 0.00 0.00 174.62 175.14 1ni5 n GLY 315 N 1.32 -2.56 0.18 3.99 0.00 -1.26 -4.93 105.19 101.92 1ni5 n GLY 315 Ca -0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1ni5 n GLY 315 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ni5 n GLN 316 N -2.90 0.00 -0.05 1.61 -0.06 -0.83 -4.94 117.38 110.22 1ni5 n GLN 316 Ca 0.03 -0.22 0.20 0.00 -2.00 0.00 0.00 57.00 55.01 1ni5 n GLN 316 Cb 0.57 -0.16 0.66 0.00 -4.06 0.00 0.00 30.24 27.25 1ni5 n GLN 316 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1ni5 h SER 317 N 0.00 0.07 0.47 1.69 4.64 -1.80 0.80 113.55 119.43 1ni5 h SER 317 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ni5 h SER 317 Cb 1.05 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1ni5 h SER 317 CO 0.00 0.04 -0.45 -0.62 -0.87 0.00 0.00 176.83 174.93 1ni5 n GLU 318 N -4.39 0.13 -3.09 4.77 4.71 -1.26 -4.36 120.64 117.15 1ni5 n GLU 318 Ca 0.12 -0.07 -0.33 0.00 -0.01 0.00 0.00 57.16 56.87 1ni5 n GLU 318 Cb 0.63 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.50 1ni5 n GLU 318 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1ni5 s ASN 319 N -2.92 6.81 -0.27 1.62 3.04 0.27 -5.06 114.94 118.43 1ni5 s ASN 319 Ca 0.13 1.35 -0.02 0.00 0.04 0.00 0.00 52.86 54.36 1ni5 s ASN 319 Cb 0.18 -2.40 0.12 0.00 -1.54 0.00 0.00 41.25 37.61 1ni5 s ASN 319 CO 0.67 -0.22 0.25 -0.63 -3.04 0.00 0.00 177.10 174.13 1ni5 s ILE 320 N -2.00 -0.33 -0.44 -5.21 1.01 -1.26 -4.04 121.20 108.92 1ni5 s ILE 320 Ca 0.55 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.61 1ni5 s ILE 320 Cb -0.10 -0.92 0.05 0.00 0.01 0.00 0.00 42.46 41.50 1ni5 s ILE 320 CO 0.17 -0.45 0.34 0.54 0.00 0.00 0.00 174.94 175.54 1ni5 s VAL 321 N 2.31 5.10 0.62 2.92 0.11 -0.31 -4.95 120.40 126.20 1ni5 s VAL 321 Ca 0.09 -0.95 -0.19 0.00 -2.93 0.00 0.00 61.98 58.00 1ni5 s VAL 321 Cb -0.15 -3.97 -0.02 0.00 -1.53 0.00 0.00 36.38 30.71 1ni5 s VAL 321 CO -0.29 -0.46 1.27 -2.16 -3.33 0.00 0.00 175.10 170.13 1ni5 s PRO 322 N 1.63 2.77 -0.58 1.54 0.04 -1.26 -0.99 135.00 138.14 1ni5 s PRO 322 Ca 0.04 2.00 0.06 0.00 0.04 0.00 0.00 61.00 63.13 1ni5 s PRO 322 Cb -0.22 -1.92 0.21 0.00 0.04 0.00 0.00 34.50 32.61 1ni5 s PRO 322 CO 0.07 -1.41 0.55 1.87 0.04 0.00 0.00 177.00 178.12 1ni5 n TRP 323 N -1.70 2.03 -0.15 0.56 -0.00 -0.36 -4.84 117.44 112.99 1ni5 n TRP 323 Ca 0.14 -3.96 -0.06 0.00 -0.00 0.00 0.00 57.50 53.62 1ni5 n TRP 323 Cb 0.48 -0.40 0.11 0.00 -0.00 0.00 0.00 31.31 31.50 1ni5 n TRP 323 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1ni5 h GLN 324 N 4.82 0.91 -2.38 5.87 1.08 -1.95 -3.26 115.11 120.19 1ni5 h GLN 324 Ca 0.17 -0.26 -0.69 0.00 -1.45 0.00 0.00 58.65 56.43 1ni5 h GLN 324 Cb 0.77 -0.10 -0.36 0.00 -0.05 0.00 0.00 27.48 27.75 1ni5 h GLN 324 CO 0.65 0.90 0.05 2.41 -0.95 0.00 0.00 178.83 181.89 1ni5 n THR 325 N -4.20 4.07 0.29 -0.54 -1.04 -1.26 -4.85 114.28 106.76 1ni5 n THR 325 Ca 0.03 -5.66 0.03 0.00 -2.04 0.00 0.00 64.05 56.40 1ni5 n THR 325 Cb 0.31 -1.76 0.15 0.00 -1.82 0.00 0.00 70.33 67.21 1ni5 n THR 325 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 1ni5 n TRP 326 N 0.40 0.00 0.21 -1.42 4.27 -1.23 -0.72 117.44 118.95 1ni5 n TRP 326 Ca 0.33 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 54.05 1ni5 n TRP 326 Cb 0.35 -0.14 0.26 0.00 -1.36 0.00 0.00 31.31 30.43 1ni5 n TRP 326 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 1ni5 h LEU 327 N 0.00 0.00 -9.32 5.67 5.85 -1.92 -3.40 115.31 112.18 1ni5 h LEU 327 Ca 0.00 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 58.06 1ni5 h LEU 327 Cb 0.02 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.91 1ni5 h LEU 327 CO 0.00 0.12 -0.72 -1.10 -0.34 0.00 0.00 178.44 176.40 1ni5 s GLN 328 N -3.29 2.22 0.70 1.25 -1.52 0.10 -4.96 119.66 114.15 1ni5 s GLN 328 Ca 0.05 -1.01 -0.16 0.00 -1.95 0.00 0.00 55.36 52.28 1ni5 s GLN 328 Cb 0.07 -2.34 -0.01 0.00 -0.22 0.00 0.00 33.01 30.50 1ni5 s GLN 328 CO 0.66 0.51 0.91 -2.30 -0.25 0.00 0.00 175.29 174.81 1ni5 n PRO 329 N 0.58 0.56 -3.99 2.91 -0.02 -1.26 -4.91 135.00 128.87 1ni5 n PRO 329 Ca -0.13 0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 61.25 1ni5 n PRO 329 Cb 0.53 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.70 1ni5 n PRO 329 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ni5 s LEU 330 N -2.53 2.67 0.02 2.45 2.96 -0.06 -4.93 118.68 119.25 1ni5 s LEU 330 Ca 0.73 -0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 53.79 1ni5 s LEU 330 Cb -0.36 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1ni5 s LEU 330 CO 0.50 -0.03 1.29 -0.70 -1.32 0.00 0.00 176.35 176.09 1ni5 s GLU 331 N 1.39 4.35 0.36 1.98 2.56 -1.26 -1.73 118.70 126.35 1ni5 s GLU 331 Ca 0.05 1.84 -0.06 0.00 0.00 0.00 0.00 54.97 56.80 1ni5 s GLU 331 Cb -0.14 -3.46 -0.05 0.00 2.00 0.00 0.00 34.13 32.48 1ni5 s GLU 331 CO -0.07 -0.43 0.65 -0.51 -0.56 0.00 0.00 175.26 174.34 1ni5 s LEU 332 N 1.80 3.93 1.20 2.70 1.43 0.82 -4.99 118.68 125.56 1ni5 s LEU 332 Ca 0.60 0.83 -0.18 0.00 -1.03 0.00 0.00 54.13 54.35 1ni5 s LEU 332 Cb -0.30 -3.69 0.28 0.00 0.03 0.00 0.00 46.19 42.51 1ni5 s LEU 332 CO 0.26 -0.32 1.08 -2.16 0.23 0.00 0.00 176.35 175.44 1ni5 s PRO 333 N -3.89 -1.23 -0.91 1.29 0.04 -1.26 -4.13 135.00 124.92 1ni5 s PRO 333 Ca 0.46 0.09 -0.14 0.00 0.04 0.00 0.00 61.00 61.46 1ni5 s PRO 333 Cb -0.10 -1.58 0.02 0.00 0.04 0.00 0.00 34.50 32.87 1ni5 s PRO 333 CO 0.33 -3.75 0.26 0.00 0.04 0.00 0.00 177.00 173.88 1ni5 n ALA 334 N -4.81 -1.90 -4.19 8.56 0.00 -1.26 -0.79 120.51 116.11 1ni5 n ALA 334 Ca 0.11 -0.35 -0.38 0.00 0.00 0.00 0.00 53.44 52.82 1ni5 n ALA 334 Cb 0.59 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 1ni5 n ALA 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni5 n GLY 335 N -1.87 -0.35 0.01 0.00 0.00 -1.26 -4.78 105.19 96.95 1ni5 n GLY 335 Ca -0.14 0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1ni5 n GLY 335 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ni5 n LEU 336 N -3.66 0.05 0.00 0.99 4.77 0.03 -4.79 117.00 114.39 1ni5 n LEU 336 Ca 0.09 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1ni5 n LEU 336 Cb 0.41 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1ni5 n LEU 336 CO 0.85 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1ni5 n GLY 337 N 1.29 -1.35 3.85 -0.72 0.00 -1.26 -4.56 105.19 102.45 1ni5 n GLY 337 Ca 0.14 -2.09 -0.25 0.00 0.00 0.00 0.00 46.02 43.82 1ni5 n GLY 337 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ni5 s SER 338 N -4.00 4.68 -0.02 1.61 1.04 0.10 -0.13 113.70 116.98 1ni5 s SER 338 Ca 0.00 -1.08 -0.10 0.00 0.48 0.00 0.00 55.95 55.25 1ni5 s SER 338 Cb 0.00 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.06 1ni5 s SER 338 CO 0.00 -0.84 0.22 0.54 0.98 0.00 0.00 173.24 174.15 1ni5 s VAL 339 N -2.65 0.06 0.09 5.02 0.11 -0.71 -1.34 120.40 120.99 1ni5 s VAL 339 Ca 0.39 -0.48 -0.23 0.00 -2.93 0.00 0.00 61.98 58.73 1ni5 s VAL 339 Cb -0.01 -0.48 0.06 0.00 -1.53 0.00 0.00 36.38 34.42 1ni5 s VAL 339 CO 0.23 -0.27 0.56 0.00 -3.33 0.00 0.00 175.10 172.29 1ni5 s GLN 340 N -1.08 1.15 -0.42 1.54 -2.07 -0.52 -0.89 119.66 117.38 1ni5 s GLN 340 Ca -0.12 -0.34 -0.11 0.00 -1.82 0.00 0.00 55.36 52.97 1ni5 s GLN 340 Cb -0.06 0.53 0.06 0.00 -1.09 0.00 0.00 33.01 32.45 1ni5 s GLN 340 CO 0.02 -0.45 0.28 -0.51 -1.32 0.00 0.00 175.29 173.30 1ni5 s LEU 341 N -2.33 5.14 0.01 2.60 1.43 -1.26 -1.06 118.68 123.21 1ni5 s LEU 341 Ca -0.02 -1.32 -0.07 0.00 -1.03 0.00 0.00 54.13 51.69 1ni5 s LEU 341 Cb -0.00 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1ni5 s LEU 341 CO -0.07 -0.52 0.28 0.20 0.23 0.00 0.00 176.35 176.47 1ni5 s ASN 342 N 2.07 6.51 0.28 2.29 0.02 -0.59 -4.88 114.94 120.63 1ni5 s ASN 342 Ca 0.03 0.58 -0.30 0.00 -1.02 0.00 0.00 52.86 52.15 1ni5 s ASN 342 Cb -0.22 -2.10 -0.10 0.00 0.02 0.00 0.00 41.25 38.85 1ni5 s ASN 342 CO 0.04 0.25 1.45 0.00 0.02 0.00 0.00 177.10 178.86 1ni5 s ALA 343 N -1.30 3.62 0.00 0.60 0.00 -1.26 -0.60 121.76 122.82 1ni5 s ALA 343 Ca 0.28 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1ni5 s ALA 343 Cb -0.13 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1ni5 s ALA 343 CO 0.16 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1ni5 n GLY 344 N 1.82 0.27 0.00 0.00 0.00 0.10 -4.77 105.19 102.61 1ni5 n GLY 344 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1ni5 n GLY 344 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ni5 n GLY 345 N 1.00 1.55 0.28 -0.02 0.00 -0.89 -3.41 105.19 103.70 1ni5 n GLY 345 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 46.02 45.05 1ni5 n GLY 345 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ni5 n ASP 346 N 0.00 0.73 -4.63 1.61 8.00 -1.19 -2.64 116.55 118.43 1ni5 n ASP 346 Ca 0.00 -2.03 -0.35 0.00 0.71 0.00 0.00 54.79 53.13 1ni5 n ASP 346 Cb 0.00 -0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 1ni5 n ASP 346 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ni5 s ILE 347 N -1.73 4.40 0.19 0.53 1.01 -0.68 -0.45 121.20 124.48 1ni5 s ILE 347 Ca 0.06 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 1ni5 s ILE 347 Cb 0.04 -2.92 -0.09 0.00 0.01 0.00 0.00 42.46 39.50 1ni5 s ILE 347 CO 0.04 0.53 1.33 -0.60 0.00 0.00 0.00 174.94 176.23 1ni5 s ARG 348 N -0.17 4.37 0.98 2.79 3.52 -0.43 0.12 118.95 130.13 1ni5 s ARG 348 Ca 0.05 2.07 -0.11 0.00 -0.13 0.00 0.00 55.73 57.61 1ni5 s ARG 348 Cb -0.12 -3.20 0.18 0.00 -1.56 0.00 0.00 34.95 30.25 1ni5 s ARG 348 CO 0.02 -0.29 1.10 -2.14 -0.81 0.00 0.00 175.30 173.18 1ni5 s PRO 349 N 0.04 0.55 0.20 5.12 0.02 -1.26 -4.81 135.00 134.84 1ni5 s PRO 349 Ca 0.58 1.20 -0.07 0.00 0.02 0.00 0.00 61.00 62.73 1ni5 s PRO 349 Cb -0.37 -1.70 -0.06 0.00 0.02 0.00 0.00 34.50 32.39 1ni5 s PRO 349 CO 0.37 -2.84 0.47 -1.25 -0.33 0.00 0.00 177.00 173.43 1ni5 s PRO 350 N -4.65 3.71 0.31 5.54 0.04 -1.26 -5.07 135.00 133.61 1ni5 s PRO 350 Ca 0.66 0.09 -0.21 0.00 0.04 0.00 0.00 61.00 61.59 1ni5 s PRO 350 Cb -0.22 -2.74 -0.09 0.00 0.04 0.00 0.00 34.50 31.49 1ni5 s PRO 350 CO 0.60 0.38 0.82 1.03 0.04 0.00 0.00 177.00 179.87 1ni5 s ARG 351 N -2.81 4.28 0.00 4.56 0.52 -1.26 -4.90 118.95 119.34 1ni5 s ARG 351 Ca 0.44 0.99 0.09 0.00 -0.52 0.00 0.00 55.73 56.73 1ni5 s ARG 351 Cb -0.12 -2.63 0.48 0.00 0.52 0.00 0.00 34.95 33.20 1ni5 s ARG 351 CO 0.23 0.24 1.08 0.00 0.02 0.00 0.00 175.30 176.86 1ni5 n ALA 352 N 0.20 1.69 0.66 2.13 0.00 -1.26 -1.42 120.51 122.51 1ni5 n ALA 352 Ca 0.02 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1ni5 n ALA 352 Cb 0.52 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 1ni5 n ALA 352 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ni5 n ASP 353 N -1.16 0.66 -4.88 0.00 5.68 -1.26 -4.97 116.55 110.61 1ni5 n ASP 353 Ca 0.05 -0.59 -0.26 0.00 -0.50 0.00 0.00 54.79 53.49 1ni5 n ASP 353 Cb 0.05 1.22 -0.04 0.00 -1.14 0.00 0.00 41.12 41.21 1ni5 n ASP 353 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1ni5 s GLU 354 N -3.17 3.21 -0.48 0.11 -1.05 -0.51 -5.07 118.70 111.74 1ni5 s GLU 354 Ca 0.03 -0.71 -0.21 0.00 -0.15 0.00 0.00 54.97 53.93 1ni5 s GLU 354 Cb 0.15 -2.83 0.04 0.00 -0.44 0.00 0.00 34.13 31.05 1ni5 s GLU 354 CO 0.87 0.51 0.68 0.00 0.95 0.00 0.00 175.26 178.26 1ni5 s ALA 355 N -1.74 3.33 0.20 -0.84 0.00 -1.26 -4.81 121.76 116.63 1ni5 s ALA 355 Ca 0.33 -1.40 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 1ni5 s ALA 355 Cb -0.11 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 1ni5 s ALA 355 CO 0.26 -1.95 0.77 0.08 0.00 0.00 0.00 175.76 174.92 1ni5 s VAL 356 N 2.92 4.43 0.19 0.00 1.01 -1.26 0.30 120.40 127.99 1ni5 s VAL 356 Ca 0.21 1.57 -0.16 0.00 0.00 0.00 0.00 61.98 63.60 1ni5 s VAL 356 Cb -0.16 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1ni5 s VAL 356 CO 0.17 0.39 0.48 -0.94 0.00 0.00 0.00 175.10 175.20 1ni5 s SER 357 N -1.35 -0.20 -0.09 3.32 1.04 0.68 -1.23 113.70 115.86 1ni5 s SER 357 Ca 0.39 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 56.29 1ni5 s SER 357 Cb -0.21 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 1ni5 s SER 357 CO 0.24 -1.03 -0.20 -0.69 0.98 0.00 0.00 173.24 172.54 1ni5 s VAL 358 N -3.89 2.50 0.26 5.02 1.01 -0.16 -1.01 120.40 124.13 1ni5 s VAL 358 Ca 0.11 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1ni5 s VAL 358 Cb -0.00 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1ni5 s VAL 358 CO -0.02 0.56 0.16 0.54 0.00 0.00 0.00 175.10 176.34 1ni5 n ARG 359 N 3.22 0.45 -0.42 2.72 1.74 -0.38 -1.16 116.66 122.82 1ni5 n ARG 359 Ca -0.18 -2.39 0.01 0.00 -0.77 0.00 0.00 57.85 54.52 1ni5 n ARG 359 Cb 0.53 1.69 0.01 0.00 -1.02 0.00 0.00 32.46 33.67 1ni5 n ARG 359 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1ni5 n PHE 360 N -0.53 0.00 -3.88 -1.55 3.01 -1.26 -0.86 117.46 112.40 1ni5 n PHE 360 Ca 0.02 -0.10 -0.09 0.00 1.01 0.00 0.00 57.45 58.29 1ni5 n PHE 360 Cb 0.43 -0.06 -0.07 0.00 -0.01 0.00 0.00 39.48 39.77 1ni5 n PHE 360 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1ni5 s LYS 361 N -0.29 0.93 -0.30 -1.08 2.20 -1.26 -4.52 119.74 115.42 1ni5 s LYS 361 Ca 0.03 -1.01 -0.06 0.00 -0.36 0.00 0.00 55.97 54.57 1ni5 s LYS 361 Cb 0.03 0.35 0.19 0.00 -1.51 0.00 0.00 37.83 36.89 1ni5 s LYS 361 CO 0.00 -0.31 0.82 0.00 -0.36 0.00 0.00 175.35 175.51 1ni5 s ALA 362 N -3.89 -2.95 0.71 3.13 0.00 -1.26 -5.03 121.76 112.47 1ni5 s ALA 362 Ca 0.08 1.52 -0.12 0.00 0.00 0.00 0.00 51.96 53.43 1ni5 s ALA 362 Cb 0.04 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.76 1ni5 s ALA 362 CO -0.08 -1.55 1.09 -1.25 0.00 0.00 0.00 175.76 173.97 1ni5 s PRO 363 N 2.90 2.60 0.04 0.00 0.04 -1.26 -4.44 135.00 134.89 1ni5 s PRO 363 Ca 0.12 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1ni5 s PRO 363 Cb -0.11 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1ni5 s PRO 363 CO -0.18 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 175.88 1ni5 n GLY 364 N -1.06 -1.41 3.75 0.56 0.00 -1.26 -4.85 105.19 100.92 1ni5 n GLY 364 Ca 0.09 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 1ni5 n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ni5 s LEU 365 N -2.84 4.47 -0.01 0.99 1.43 -1.26 -4.36 118.68 117.09 1ni5 s LEU 365 Ca 0.00 2.31 0.07 0.00 -1.03 0.00 0.00 54.13 55.48 1ni5 s LEU 365 Cb 0.00 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 1ni5 s LEU 365 CO 0.00 -0.35 -0.22 -0.76 0.23 0.00 0.00 176.35 175.24 1ni5 s LEU 366 N -0.68 2.06 -0.14 1.79 1.43 0.15 -4.88 118.68 118.41 1ni5 s LEU 366 Ca 0.51 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1ni5 s LEU 366 Cb -0.34 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 1ni5 s LEU 366 CO 0.40 0.27 -0.05 -1.00 0.23 0.00 0.00 176.35 176.19 1ni5 s HIS 367 N -0.55 2.99 0.26 0.29 3.76 -1.26 -2.10 115.29 118.67 1ni5 s HIS 367 Ca 0.09 -0.28 0.09 0.00 -0.15 0.00 0.00 55.06 54.81 1ni5 s HIS 367 Cb -0.09 -1.90 -0.05 0.00 1.11 0.00 0.00 32.58 31.65 1ni5 s HIS 367 CO -0.01 0.01 -0.15 0.42 -0.85 0.00 0.00 174.74 174.17 1ni5 s ILE 368 N 0.15 2.05 0.02 0.60 1.01 -1.26 -1.63 121.20 122.14 1ni5 s ILE 368 Ca -0.02 -2.27 -0.30 0.00 0.00 0.00 0.00 60.65 58.05 1ni5 s ILE 368 Cb -0.14 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 1ni5 s ILE 368 CO 0.03 -0.44 1.32 -0.69 0.00 0.00 0.00 174.94 175.16 1ni5 s VAL 369 N -2.77 3.82 0.00 2.92 1.01 -0.76 -3.03 120.40 121.59 1ni5 s VAL 369 Ca 0.27 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1ni5 s VAL 369 Cb -0.01 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1ni5 s VAL 369 CO 0.12 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1ni5 n GLY 370 N 3.48 0.84 3.05 4.51 0.00 -1.26 -4.89 105.19 110.92 1ni5 n GLY 370 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1ni5 n GLY 370 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ni5 s ARG 371 N -0.92 0.20 -0.66 1.61 1.81 -1.17 -5.11 118.95 114.72 1ni5 s ARG 371 Ca 0.00 0.46 -0.12 0.00 -1.72 0.00 0.00 55.73 54.35 1ni5 s ARG 371 Cb 0.00 -0.08 0.17 0.00 -0.45 0.00 0.00 34.95 34.59 1ni5 s ARG 371 CO 0.00 -0.14 0.58 1.21 -0.68 0.00 0.00 175.30 176.27 1ni5 s ASN 372 N 1.01 6.23 0.00 0.23 3.04 -1.26 -4.45 114.94 119.75 1ni5 s ASN 372 Ca -0.07 -2.31 0.00 0.00 0.04 0.00 0.00 52.86 50.51 1ni5 s ASN 372 Cb -0.09 -2.13 0.00 0.00 -1.54 0.00 0.00 41.25 37.49 1ni5 s ASN 372 CO -0.06 -0.65 0.00 0.61 -3.04 0.00 0.00 177.10 173.95 1ni5 n GLY 373 N 4.45 -1.89 0.00 1.21 0.00 -1.26 -5.12 105.19 102.57 1ni5 n GLY 373 Ca 0.01 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1ni5 n GLY 373 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ni5 n GLY 374 N 0.00 1.43 3.83 -0.02 0.00 -1.25 -4.89 105.19 104.28 1ni5 n GLY 374 Ca 0.00 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 1ni5 n GLY 374 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ni5 s ARG 375 N 0.00 2.24 0.53 1.61 3.03 -0.89 -4.48 118.95 120.98 1ni5 s ARG 375 Ca 0.00 -2.35 -0.15 0.00 2.03 0.00 0.00 55.73 55.26 1ni5 s ARG 375 Cb 0.00 -1.68 -0.07 0.00 -1.03 0.00 0.00 34.95 32.17 1ni5 s ARG 375 CO 0.00 -0.50 0.98 0.15 -1.13 0.00 0.00 175.30 174.80 1ni5 s LYS 376 N -4.03 3.88 0.20 3.89 1.02 -1.26 0.32 119.74 123.76 1ni5 s LYS 376 Ca 0.09 0.89 -0.20 0.00 0.02 0.00 0.00 55.97 56.77 1ni5 s LYS 376 Cb -0.01 -2.14 0.16 0.00 -0.52 0.00 0.00 37.83 35.32 1ni5 s LYS 376 CO 0.06 -0.31 1.57 1.25 -0.92 0.00 0.00 175.35 177.00 1ni5 h LEU 377 N 0.72 -1.29 -1.33 3.17 6.46 -1.78 0.27 115.31 121.54 1ni5 h LEU 377 Ca -0.46 0.26 0.10 0.00 -0.12 0.00 0.00 57.88 57.66 1ni5 h LEU 377 Cb 1.19 0.65 -0.06 0.00 -0.73 0.00 0.00 40.66 41.71 1ni5 h LEU 377 CO 0.62 -0.30 0.53 0.50 -0.62 0.00 0.00 178.44 179.17 1ni5 h LYS 378 N -0.11 0.72 -0.24 1.25 3.64 -1.93 0.44 116.57 120.35 1ni5 h LYS 378 Ca 0.27 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 1ni5 h LYS 378 Cb 0.57 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1ni5 h LYS 378 CO -0.79 0.48 -0.31 -0.22 -2.27 0.00 0.00 179.45 176.34 1ni5 h LYS 379 N 0.74 0.64 -0.46 1.90 1.63 -0.95 -2.09 116.57 117.98 1ni5 h LYS 379 Ca 0.38 -0.36 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1ni5 h LYS 379 Cb 0.47 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 1ni5 h LYS 379 CO -0.15 0.97 0.23 0.82 -3.45 0.00 0.00 179.45 177.87 1ni5 h ILE 380 N 0.35 1.18 -0.08 2.00 2.04 0.40 0.71 117.51 124.12 1ni5 h ILE 380 Ca 0.03 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.43 1ni5 h ILE 380 Cb 0.88 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 1ni5 h ILE 380 CO 0.07 0.20 -0.26 -0.50 0.00 0.00 0.00 178.15 177.66 1ni5 h TRP 381 N 0.60 -0.69 0.13 1.37 -0.00 -0.13 -0.87 115.95 116.35 1ni5 h TRP 381 Ca 0.16 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 59.09 1ni5 h TRP 381 Cb 0.11 0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 29.56 1ni5 h TRP 381 CO -0.01 -0.34 -0.19 1.96 -0.00 0.00 0.00 178.44 179.86 1ni5 h GLN 382 N -0.35 -0.36 -0.63 0.49 4.20 -1.01 -1.29 115.11 116.16 1ni5 h GLN 382 Ca 0.09 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.92 1ni5 h GLN 382 Cb 0.48 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 1ni5 h GLN 382 CO -0.28 -0.24 0.42 0.93 -0.67 0.00 0.00 178.83 178.99 1ni5 h GLU 383 N -0.37 0.44 -0.01 1.46 5.08 -0.60 -0.49 114.58 120.10 1ni5 h GLU 383 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ni5 h GLU 383 Cb 0.38 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ni5 h GLU 383 CO -0.09 0.29 -0.14 1.28 -1.00 0.00 0.00 179.01 179.35 1ni5 n LEU 384 N -4.47 0.82 -0.19 1.33 4.32 -0.36 -4.95 117.00 113.50 1ni5 n LEU 384 Ca 0.10 -0.18 -0.02 0.00 -0.02 0.00 0.00 56.01 55.89 1ni5 n LEU 384 Cb 0.37 -0.12 -0.01 0.00 -1.62 0.00 0.00 43.42 42.03 1ni5 n LEU 384 CO 0.34 0.15 -0.02 0.61 -1.22 0.00 0.00 177.39 177.24 1ni5 n GLY 385 N 1.27 0.58 3.65 -0.72 0.00 -0.19 -5.00 105.19 104.77 1ni5 n GLY 385 Ca 0.15 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1ni5 n GLY 385 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ni5 s VAL 386 N -2.08 4.12 0.42 1.61 1.01 -0.67 -4.98 120.40 119.84 1ni5 s VAL 386 Ca 0.00 1.31 -0.25 0.00 0.00 0.00 0.00 61.98 63.04 1ni5 s VAL 386 Cb 0.00 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1ni5 s VAL 386 CO 0.00 -0.26 1.25 -2.65 0.00 0.00 0.00 175.10 173.44 1ni5 n PRO 387 N 7.01 1.87 -0.32 2.72 -0.02 -1.26 -4.64 135.00 140.36 1ni5 n PRO 387 Ca 0.15 0.67 0.17 0.00 -2.02 0.00 0.00 63.50 62.47 1ni5 n PRO 387 Cb 0.45 -2.36 0.42 0.00 -0.02 0.00 0.00 33.50 32.00 1ni5 n PRO 387 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ni5 h PRO 388 N 2.02 0.55 0.00 0.52 0.11 -1.95 0.63 132.00 133.88 1ni5 h PRO 388 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ni5 h PRO 388 Cb 1.30 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ni5 h PRO 388 CO 0.60 0.36 0.00 -2.67 -0.21 0.00 0.00 178.00 176.08 1ni5 n TRP 389 N -4.67 0.26 0.73 0.65 2.14 -1.26 -2.17 117.44 113.12 1ni5 n TRP 389 Ca 0.23 0.10 0.08 0.00 2.07 0.00 0.00 57.50 59.99 1ni5 n TRP 389 Cb 0.70 -0.67 -0.02 0.00 -0.81 0.00 0.00 31.31 30.52 1ni5 n TRP 389 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1ni5 n LEU 390 N -1.74 1.50 0.00 5.67 4.77 0.19 -4.38 117.00 123.02 1ni5 n LEU 390 Ca 0.03 -0.72 0.10 0.00 -0.03 0.00 0.00 56.01 55.38 1ni5 n LEU 390 Cb 0.18 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.71 1ni5 n LEU 390 CO 0.15 0.29 0.83 0.54 -1.33 0.00 0.00 177.39 177.87 1ni5 n ARG 391 N -0.31 0.01 -0.36 3.23 1.74 -0.92 -2.75 116.66 117.29 1ni5 n ARG 391 Ca 0.06 0.15 0.03 0.00 -0.77 0.00 0.00 57.85 57.33 1ni5 n ARG 391 Cb 0.33 -1.51 0.04 0.00 -1.02 0.00 0.00 32.46 30.30 1ni5 n ARG 391 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ni5 n ASP 392 N -1.52 0.74 -0.12 0.55 5.75 -1.26 -4.70 116.55 115.99 1ni5 n ASP 392 Ca 0.05 -2.33 0.01 0.00 -0.01 0.00 0.00 54.79 52.51 1ni5 n ASP 392 Cb 0.24 -0.27 0.01 0.00 -1.03 0.00 0.00 41.12 40.08 1ni5 n ASP 392 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1ni5 n THR 393 N -0.45 0.42 -3.85 2.12 -2.24 -1.12 -1.96 114.28 107.20 1ni5 n THR 393 Ca 0.05 -0.46 -0.36 0.00 -2.27 0.00 0.00 64.05 61.01 1ni5 n THR 393 Cb 0.68 0.65 -0.12 0.00 -2.10 0.00 0.00 70.33 69.44 1ni5 n THR 393 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ni5 s THR 394 N -0.53 4.50 0.24 4.28 2.01 -1.11 -5.03 115.64 120.00 1ni5 s THR 394 Ca 0.03 -0.12 -0.31 0.00 0.31 0.00 0.00 61.69 61.61 1ni5 s THR 394 Cb 0.03 -3.08 -0.14 0.00 0.01 0.00 0.00 72.50 69.32 1ni5 s THR 394 CO 0.00 0.37 1.36 -2.65 -0.69 0.00 0.00 174.62 173.02 1ni5 n PRO 395 N 4.47 1.91 -4.06 4.92 -0.02 -1.26 -4.62 135.00 136.34 1ni5 n PRO 395 Ca -0.16 0.68 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 1ni5 n PRO 395 Cb 0.52 -2.31 -0.16 0.00 -0.02 0.00 0.00 33.50 31.53 1ni5 n PRO 395 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ni5 s LEU 396 N 0.13 1.96 -0.01 2.45 1.43 -0.04 -2.08 118.68 122.53 1ni5 s LEU 396 Ca 0.68 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 1ni5 s LEU 396 Cb -0.67 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1ni5 s LEU 396 CO 0.51 -0.04 1.11 -0.22 0.23 0.00 0.00 176.35 177.93 1ni5 s LEU 397 N 1.39 4.33 -0.09 1.79 0.20 0.17 -1.25 118.68 125.21 1ni5 s LEU 397 Ca 0.04 1.79 -0.00 0.00 0.69 0.00 0.00 54.13 56.65 1ni5 s LEU 397 Cb -0.13 -3.57 0.02 0.00 -0.43 0.00 0.00 46.19 42.08 1ni5 s LEU 397 CO -0.11 -0.44 -0.06 -0.36 -0.29 0.00 0.00 176.35 175.09 1ni5 s PHE 398 N 1.50 1.22 -0.40 5.38 0.40 -0.18 -0.29 117.98 125.62 1ni5 s PHE 398 Ca 0.55 -0.53 -0.13 0.00 -0.60 0.00 0.00 56.93 56.22 1ni5 s PHE 398 Cb -0.24 -1.05 0.03 0.00 0.51 0.00 0.00 43.02 42.26 1ni5 s PHE 398 CO 0.25 -0.40 0.27 0.71 0.70 0.00 0.00 175.22 176.75 1ni5 s TYR 399 N 1.52 3.24 0.00 0.36 2.02 -0.75 -0.23 117.35 123.51 1ni5 s TYR 399 Ca 0.00 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 55.94 1ni5 s TYR 399 Cb -0.13 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 38.87 1ni5 s TYR 399 CO -0.05 -0.63 0.00 0.41 -1.57 0.00 0.00 175.55 173.72 1ni5 n GLY 400 N 5.09 3.56 1.07 0.71 0.00 0.15 -1.50 105.19 114.27 1ni5 n GLY 400 Ca -0.11 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.92 1ni5 n GLY 400 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ni5 n GLU 401 N 13.54 3.25 -3.95 1.61 -0.58 -1.26 -4.89 120.64 128.35 1ni5 n GLU 401 Ca 0.00 -2.63 -0.36 0.00 -0.42 0.00 0.00 57.16 53.74 1ni5 n GLU 401 Cb 0.00 -1.70 -0.07 0.00 -0.57 0.00 0.00 31.44 29.10 1ni5 n GLU 401 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1ni5 s THR 402 N -1.97 5.28 -0.11 2.62 2.01 -0.56 -5.07 115.64 117.83 1ni5 s THR 402 Ca 0.40 0.13 -0.25 0.00 0.31 0.00 0.00 61.69 62.27 1ni5 s THR 402 Cb 0.27 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 1ni5 s THR 402 CO 0.16 0.59 0.81 -0.22 -0.69 0.00 0.00 174.62 175.27 1ni5 s LEU 403 N -0.80 4.25 -0.25 4.42 2.96 -1.26 -1.81 118.68 126.18 1ni5 s LEU 403 Ca 0.13 1.25 -0.08 0.00 -0.22 0.00 0.00 54.13 55.21 1ni5 s LEU 403 Cb -0.12 -3.24 -0.12 0.00 0.50 0.00 0.00 46.19 43.21 1ni5 s LEU 403 CO 0.03 -0.29 -0.29 -0.38 -1.32 0.00 0.00 176.35 174.10 1ni5 n ILE 404 N 4.32 1.39 -3.62 6.68 2.08 0.61 -4.58 119.36 126.23 1ni5 n ILE 404 Ca 0.03 -0.41 -0.06 0.00 0.56 0.00 0.00 62.75 62.87 1ni5 n ILE 404 Cb 0.50 -1.68 -0.02 0.00 -0.75 0.00 0.00 39.64 37.69 1ni5 n ILE 404 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ni5 s ALA 405 N -2.47 -1.75 -0.30 -1.39 0.00 -1.24 -0.85 121.76 113.75 1ni5 s ALA 405 Ca -0.34 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1ni5 s ALA 405 Cb 0.12 0.52 0.07 0.00 0.00 0.00 0.00 23.12 23.83 1ni5 s ALA 405 CO 0.48 -0.86 -0.02 0.00 0.00 0.00 0.00 175.76 175.37 1ni5 s ALA 406 N -3.19 2.77 -0.28 0.00 0.00 0.76 -0.66 121.76 121.16 1ni5 s ALA 406 Ca 0.08 -1.97 -0.32 0.00 0.00 0.00 0.00 51.96 49.75 1ni5 s ALA 406 Cb -0.01 -1.85 -0.14 0.00 0.00 0.00 0.00 23.12 21.11 1ni5 s ALA 406 CO -0.04 -1.37 1.06 0.00 0.00 0.00 0.00 175.76 175.41 1ni5 n ALA 407 N 4.48 -1.37 -1.13 0.00 0.00 -0.88 0.19 120.51 121.80 1ni5 n ALA 407 Ca -0.10 0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 1ni5 n ALA 407 Cb 0.42 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 1ni5 n ALA 407 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ni5 n GLY 408 N 2.45 0.43 1.19 0.00 0.00 -1.26 -4.74 105.19 103.26 1ni5 n GLY 408 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1ni5 n GLY 408 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ni5 n VAL 409 N -2.08 0.22 -3.75 1.61 0.31 0.13 -5.15 118.33 109.61 1ni5 n VAL 409 Ca -0.05 0.07 -0.06 0.00 -0.01 0.00 0.00 64.34 64.29 1ni5 n VAL 409 Cb 0.54 -1.33 -0.02 0.00 -0.91 0.00 0.00 33.84 32.12 1ni5 n VAL 409 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1ni5 s PHE 410 N -2.00 -0.21 -0.06 3.52 -0.12 -0.87 -4.99 117.98 113.25 1ni5 s PHE 410 Ca 0.00 -0.14 0.02 0.00 -0.05 0.00 0.00 56.93 56.76 1ni5 s PHE 410 Cb 0.00 0.66 0.01 0.00 -0.63 0.00 0.00 43.02 43.06 1ni5 s PHE 410 CO 0.00 -1.00 -0.11 0.08 -0.05 0.00 0.00 175.22 174.14 1ni5 s VAL 411 N -3.61 1.01 0.86 -2.49 1.01 -1.26 -0.17 120.40 115.74 1ni5 s VAL 411 Ca 0.10 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1ni5 s VAL 411 Cb -0.03 -0.93 0.11 0.00 0.00 0.00 0.00 36.38 35.52 1ni5 s VAL 411 CO 0.02 0.32 1.09 0.42 0.00 0.00 0.00 175.10 176.96 1ni5 s THR 412 N 0.67 2.83 0.20 3.92 -4.23 -0.03 -1.82 115.64 117.18 1ni5 s THR 412 Ca -0.13 0.27 0.06 0.00 -1.18 0.00 0.00 61.69 60.70 1ni5 s THR 412 Cb -0.15 -2.80 -0.10 0.00 1.34 0.00 0.00 72.50 70.79 1ni5 s THR 412 CO 0.03 -0.35 1.46 1.56 -0.54 0.00 0.00 174.62 176.78 1ni5 h GLN 413 N -1.41 0.12 0.00 3.99 4.20 -1.59 -2.75 115.11 117.68 1ni5 h GLN 413 Ca -0.48 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.11 1ni5 h GLN 413 Cb 1.27 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1ni5 h GLN 413 CO 0.55 0.83 0.00 0.39 -0.67 0.00 0.00 178.83 179.93 1ni5 n GLU 414 N -3.70 0.18 -0.05 1.46 1.02 -1.26 -3.05 120.64 115.23 1ni5 n GLU 414 Ca -0.02 0.14 0.04 0.00 -0.02 0.00 0.00 57.16 57.30 1ni5 n GLU 414 Cb 0.73 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.73 1ni5 n GLU 414 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ni5 n GLY 415 N 0.30 0.74 3.77 0.62 0.00 -1.04 -5.01 105.19 104.57 1ni5 n GLY 415 Ca 0.07 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1ni5 n GLY 415 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ni5 s VAL 416 N -0.84 2.77 -0.02 1.61 1.01 -1.17 -1.31 120.40 122.45 1ni5 s VAL 416 Ca 0.14 0.64 -0.33 0.00 0.00 0.00 0.00 61.98 62.43 1ni5 s VAL 416 Cb 0.08 -3.35 -0.11 0.00 0.00 0.00 0.00 36.38 33.00 1ni5 s VAL 416 CO 0.12 0.05 1.89 0.00 0.00 0.00 0.00 175.10 177.16 1ni5 n ALA 417 N -0.19 1.24 0.03 5.51 0.00 0.41 -4.18 120.51 123.32 1ni5 n ALA 417 Ca 0.06 0.27 -0.05 0.00 0.00 0.00 0.00 53.44 53.72 1ni5 n ALA 417 Cb 0.45 -2.56 -0.03 0.00 0.00 0.00 0.00 19.45 17.31 1ni5 n ALA 417 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ni5 h GLU 418 N 9.43 -0.22 0.00 0.00 4.57 -1.91 -3.41 114.58 123.05 1ni5 h GLU 418 Ca -0.49 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1ni5 h GLU 418 Cb 1.26 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1ni5 h GLU 418 CO 0.94 -0.14 0.00 0.41 -1.18 0.00 0.00 179.01 179.04 1ni5 n GLY 419 N -1.15 1.33 0.00 1.92 0.00 -1.26 -5.01 105.19 101.02 1ni5 n GLY 419 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ni5 n GLY 419 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ni5 n GLU 420 N 0.00 2.03 0.00 1.61 0.00 -1.26 -4.97 120.64 118.05 1ni5 n GLU 420 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ni5 n GLU 420 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 31.44 31.26 1ni5 n GLU 420 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1ni5 n ASN 421 N -0.06 0.00 -1.46 -1.84 6.94 -1.26 -4.75 115.26 112.84 1ni5 n ASN 421 Ca 0.00 0.15 0.19 0.00 -0.02 0.00 0.00 54.58 54.90 1ni5 n ASN 421 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 1ni5 n ASN 421 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ni5 n GLY 422 N -0.17 -2.28 3.60 4.83 0.00 -1.23 -2.71 105.19 107.23 1ni5 n GLY 422 Ca 0.00 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 1ni5 n GLY 422 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ni5 s VAL 423 N -2.80 1.46 -0.16 1.61 -7.23 0.32 -0.72 120.40 112.89 1ni5 s VAL 423 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1ni5 s VAL 423 Cb 0.00 -2.69 0.01 0.00 0.56 0.00 0.00 36.38 34.26 1ni5 s VAL 423 CO 0.00 0.00 -0.20 -0.44 -0.31 0.00 0.00 175.10 174.15 1ni5 s SER 424 N -3.69 3.19 -0.61 4.85 0.01 0.23 -1.68 113.70 116.00 1ni5 s SER 424 Ca 0.27 -0.60 -0.24 0.00 1.31 0.00 0.00 55.95 56.69 1ni5 s SER 424 Cb 0.07 -1.47 0.05 0.00 0.21 0.00 0.00 66.02 64.88 1ni5 s SER 424 CO 0.14 0.05 1.00 0.12 0.41 0.00 0.00 173.24 174.96 1ni5 s PHE 425 N 0.99 2.68 -0.17 2.43 5.36 -1.26 -1.55 117.98 126.47 1ni5 s PHE 425 Ca -0.03 -0.19 -0.06 0.00 -0.96 0.00 0.00 56.93 55.69 1ni5 s PHE 425 Cb -0.15 -4.23 -0.04 0.00 -0.34 0.00 0.00 43.02 38.27 1ni5 s PHE 425 CO -0.05 -1.55 0.03 0.08 -1.46 0.00 0.00 175.22 172.27 1ni5 s VAL 426 N 4.24 4.54 -0.22 3.12 1.01 -0.23 -4.60 120.40 128.26 1ni5 s VAL 426 Ca 0.28 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 1ni5 s VAL 426 Cb -0.13 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1ni5 s VAL 426 CO 0.16 0.48 0.06 0.86 0.00 0.00 0.00 175.10 176.66 1ni5 s TRP 427 N 0.25 3.12 -0.11 5.22 -0.00 -1.26 -1.43 118.94 124.74 1ni5 s TRP 427 Ca 0.02 -0.26 0.02 0.00 -0.00 0.00 0.00 56.10 55.88 1ni5 s TRP 427 Cb -0.13 -2.18 -0.01 0.00 -0.00 0.00 0.00 33.47 31.16 1ni5 s TRP 427 CO 0.01 -0.19 -0.17 -1.14 -0.00 0.00 0.00 176.95 175.46 1ni5 s GLN 428 N 1.18 3.13 -0.06 5.86 0.74 -0.45 -5.01 119.66 125.06 1ni5 s GLN 428 Ca 0.04 -0.76 0.02 0.00 0.05 0.00 0.00 55.36 54.71 1ni5 s GLN 428 Cb -0.14 -2.47 -0.03 0.00 1.10 0.00 0.00 33.01 31.47 1ni5 s GLN 428 CO 0.03 0.26 -0.10 0.15 -0.55 0.00 0.00 175.29 175.08 1ni5 s LYS 429 N 0.19 2.65 0.75 1.67 1.02 -1.26 0.01 119.74 124.77 1ni5 s LYS 429 Ca -0.10 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.17 1ni5 s LYS 429 Cb -0.16 -2.50 0.04 0.00 -0.52 0.00 0.00 37.83 34.70 1ni5 s LYS 429 CO 0.06 0.64 1.08 0.99 -0.92 0.00 0.00 175.35 177.20 1ni5 s THR 430 N -0.77 3.53 -0.80 2.17 2.01 -1.26 -4.84 115.64 115.69 1ni5 s THR 430 Ca 0.12 0.50 -0.32 0.00 0.31 0.00 0.00 61.69 62.30 1ni5 s THR 430 Cb -0.11 -3.09 -0.18 0.00 0.01 0.00 0.00 72.50 69.13 1ni5 s THR 430 CO 0.01 -0.65 2.54 -0.11 -0.69 0.00 0.00 174.62 175.72 1ni5 n LEU 431 N -3.40 0.85 0.00 4.42 0.00 -1.26 -5.06 117.00 112.56 1ni5 n LEU 431 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 56.01 56.23 1ni5 n LEU 431 Cb 0.53 -1.06 0.00 0.00 0.00 0.00 0.00 43.42 42.89 1ni5 n LEU 431 CO 0.55 -0.88 0.00 -1.20 0.00 0.00 0.00 177.39 175.86