#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nec h ILE 2 N 0.00 1.45 -0.89 5.18 6.09 -2.03 -2.61 117.51 124.70 1nec h ILE 2 Ca 0.00 -2.20 -0.00 0.00 -1.37 0.00 0.00 64.86 61.29 1nec h ILE 2 Cb 0.00 2.17 -0.04 0.00 0.47 0.00 0.00 36.82 39.42 1nec h ILE 2 CO 0.00 0.64 0.55 0.40 -3.07 0.00 0.00 178.15 176.66 1nec h ILE 3 N 0.06 1.24 -0.80 2.19 1.08 -2.05 -1.64 117.51 117.60 1nec h ILE 3 Ca -0.01 -0.51 -0.04 0.00 -0.39 0.00 0.00 64.86 63.91 1nec h ILE 3 Cb 1.17 -0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.86 1nec h ILE 3 CO 0.09 0.25 0.33 0.28 -0.69 0.00 0.00 178.15 178.41 1nec h SER 4 N 1.22 1.09 0.09 1.72 0.02 -1.90 -0.77 113.55 115.02 1nec h SER 4 Ca 0.32 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1nec h SER 4 Cb -0.07 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.17 1nec h SER 4 CO -0.06 0.96 -0.10 0.58 -1.14 0.00 0.00 176.83 177.06 1nec h VAL 5 N 1.15 0.77 -0.79 2.27 2.07 -1.19 -1.86 116.25 118.67 1nec h VAL 5 Ca 0.27 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.88 1nec h VAL 5 Cb 0.20 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1nec h VAL 5 CO -0.02 0.00 0.52 0.00 0.02 0.00 0.00 177.57 178.08 1nec h ALA 6 N 0.67 1.76 0.00 1.67 0.00 -1.02 0.19 119.26 122.54 1nec h ALA 6 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nec h ALA 6 Cb 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nec h ALA 6 CO -0.04 0.08 -0.20 1.28 0.00 0.00 0.00 179.25 180.38 1nec n LEU 7 N -4.51 0.39 -0.06 0.00 4.77 -0.32 -4.26 117.00 113.02 1nec n LEU 7 Ca 0.13 0.37 -0.05 0.00 -0.03 0.00 0.00 56.01 56.43 1nec n LEU 7 Cb 0.32 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 1nec n LEU 7 CO 0.32 -0.02 -0.87 0.29 -1.33 0.00 0.00 177.39 175.78 1nec n LYS 8 N -1.76 1.95 -1.70 3.23 4.76 -0.51 -4.95 118.16 119.18 1nec n LYS 8 Ca 0.06 -0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 55.11 1nec n LYS 8 Cb 0.37 -1.30 0.05 0.00 -1.84 0.00 0.00 35.03 32.31 1nec n LYS 8 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1nec n ARG 9 N -2.41 1.29 -3.88 1.97 1.85 0.57 -5.04 116.66 111.02 1nec n ARG 9 Ca -0.18 0.49 -0.09 0.00 -1.00 0.00 0.00 57.85 57.07 1nec n ARG 9 Cb 0.85 -2.44 -0.07 0.00 -1.05 0.00 0.00 32.46 29.75 1nec n ARG 9 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 1nec s HIS 10 N -1.37 0.20 -0.47 2.89 -3.43 -1.26 -5.00 115.29 106.84 1nec s HIS 10 Ca 0.76 -0.62 -0.29 0.00 -0.80 0.00 0.00 55.06 54.11 1nec s HIS 10 Cb -0.41 -0.07 0.03 0.00 -1.43 0.00 0.00 32.58 30.70 1nec s HIS 10 CO 0.46 -0.56 1.16 -1.12 -2.00 0.00 0.00 174.74 172.68 1nec s SER 11 N -2.88 6.61 0.05 7.38 0.01 -1.26 -4.47 113.70 119.15 1nec s SER 11 Ca 0.07 0.51 -0.31 0.00 1.31 0.00 0.00 55.95 57.53 1nec s SER 11 Cb 0.05 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.66 1nec s SER 11 CO -0.10 -1.26 1.47 -0.89 0.41 0.00 0.00 173.24 172.87 1nec s THR 12 N 4.53 3.42 -1.25 1.44 2.01 -0.69 -4.81 115.64 120.30 1nec s THR 12 Ca 0.49 0.89 0.23 0.00 0.31 0.00 0.00 61.69 63.61 1nec s THR 12 Cb -0.08 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 1nec s THR 12 CO 0.31 0.01 1.12 0.29 -0.69 0.00 0.00 174.62 175.66 1nec n LYS 13 N 5.10 0.28 -3.65 4.92 4.76 -1.26 -4.66 118.16 123.65 1nec n LYS 13 Ca 0.13 -0.22 -0.09 0.00 -2.87 0.00 0.00 58.31 55.27 1nec n LYS 13 Cb 0.42 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.04 1nec n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nec s ALA 14 N -2.87 -1.72 0.05 7.82 0.00 -1.26 -4.80 121.76 118.98 1nec s ALA 14 Ca 0.12 2.21 0.01 0.00 0.00 0.00 0.00 51.96 54.30 1nec s ALA 14 Cb 0.17 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1nec s ALA 14 CO 0.75 -0.35 0.10 -0.06 0.00 0.00 0.00 175.76 176.20 1nec s PHE 15 N 1.40 3.28 -0.39 0.00 0.08 -1.26 -2.05 117.98 119.03 1nec s PHE 15 Ca -0.08 0.15 -0.26 0.00 0.12 0.00 0.00 56.93 56.86 1nec s PHE 15 Cb -0.05 -1.68 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 1nec s PHE 15 CO -0.16 0.54 0.92 0.34 -0.10 0.00 0.00 175.22 176.77 1nec s ASP 16 N -2.21 6.62 0.00 1.36 -1.08 0.82 -4.51 116.67 117.67 1nec s ASP 16 Ca 0.28 0.45 0.20 0.00 -0.52 0.00 0.00 52.55 52.96 1nec s ASP 16 Cb -0.12 -2.46 0.90 0.00 -1.46 0.00 0.00 42.92 39.78 1nec s ASP 16 CO 0.21 -0.90 1.65 0.00 0.52 0.00 0.00 175.17 176.64 1nec n ALA 17 N 6.87 1.96 0.29 3.66 0.00 -1.24 -2.42 120.51 129.63 1nec n ALA 17 Ca 0.07 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1nec n ALA 17 Cb 0.48 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.64 1nec n ALA 17 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nec n SER 18 N -1.44 0.74 -4.70 0.00 3.41 -1.26 -4.88 113.62 105.49 1nec n SER 18 Ca 0.06 0.17 -0.38 0.00 -0.26 0.00 0.00 58.87 58.47 1nec n SER 18 Cb 0.22 0.50 -0.07 0.00 -0.26 0.00 0.00 64.21 64.59 1nec n SER 18 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1nec s LYS 19 N -3.29 4.24 0.27 4.33 1.02 -1.02 -5.08 119.74 120.21 1nec s LYS 19 Ca 0.02 0.26 0.10 0.00 0.02 0.00 0.00 55.97 56.36 1nec s LYS 19 Cb 0.11 -3.49 -0.05 0.00 -0.52 0.00 0.00 37.83 33.88 1nec s LYS 19 CO 0.78 0.07 -0.15 0.15 -0.92 0.00 0.00 175.35 175.28 1nec s LYS 20 N 0.96 1.59 0.46 1.68 -0.14 -1.26 -4.49 119.74 118.55 1nec s LYS 20 Ca 0.21 -1.75 -0.22 0.00 -1.36 0.00 0.00 55.97 52.84 1nec s LYS 20 Cb -0.14 -1.50 -0.08 0.00 -1.68 0.00 0.00 37.83 34.43 1nec s LYS 20 CO 0.08 0.22 1.09 -0.51 -0.76 0.00 0.00 175.35 175.46 1nec s LEU 21 N -3.47 3.95 0.90 3.17 1.43 -1.26 -5.03 118.68 118.38 1nec s LEU 21 Ca 0.28 2.09 -0.12 0.00 -1.03 0.00 0.00 54.13 55.35 1nec s LEU 21 Cb -0.01 -4.38 0.13 0.00 0.03 0.00 0.00 46.19 41.96 1nec s LEU 21 CO 0.13 -0.80 1.14 0.42 0.23 0.00 0.00 176.35 177.47 1nec s THR 22 N -1.75 2.05 0.23 5.49 -4.23 -1.26 -4.84 115.64 111.33 1nec s THR 22 Ca 0.65 0.02 -0.07 0.00 -1.18 0.00 0.00 61.69 61.10 1nec s THR 22 Cb -0.22 -2.79 0.18 0.00 1.34 0.00 0.00 72.50 71.01 1nec s THR 22 CO 0.27 -0.02 1.83 0.00 -0.54 0.00 0.00 174.62 176.15 1nec h ALA 23 N -1.44 1.04 -0.42 3.99 0.00 -1.99 -1.01 119.26 119.42 1nec h ALA 23 Ca -0.50 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 1nec h ALA 23 Cb 1.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1nec h ALA 23 CO 0.62 0.16 -0.11 1.49 0.00 0.00 0.00 179.25 181.41 1nec h GLU 24 N 0.83 0.75 -0.33 0.00 4.81 -1.99 -2.19 114.58 116.45 1nec h GLU 24 Ca 0.34 -0.25 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 1nec h GLU 24 Cb 0.18 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1nec h GLU 24 CO -0.18 0.83 -0.45 0.93 -0.73 0.00 0.00 179.01 179.42 1nec h GLU 25 N 0.68 0.86 -0.43 1.92 5.08 -1.74 -1.24 114.58 119.71 1nec h GLU 25 Ca 0.12 -0.49 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 1nec h GLU 25 Cb 0.58 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1nec h GLU 25 CO 0.04 1.13 -0.08 0.00 -1.00 0.00 0.00 179.01 179.10 1nec h ALA 26 N 0.79 1.05 -0.22 3.43 0.00 -1.13 -0.27 119.26 122.92 1nec h ALA 26 Ca 0.04 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1nec h ALA 26 Cb 1.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1nec h ALA 26 CO 0.10 0.58 -0.52 0.93 0.00 0.00 0.00 179.25 180.34 1nec h GLU 27 N 0.69 0.62 -0.27 0.00 4.39 -1.24 -3.12 114.58 115.65 1nec h GLU 27 Ca 0.12 -0.38 -0.16 0.00 0.34 0.00 0.00 59.36 59.29 1nec h GLU 27 Cb 0.54 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1nec h GLU 27 CO 0.03 0.99 -0.46 0.87 -1.16 0.00 0.00 179.01 179.28 1nec h LYS 28 N 0.48 0.71 -0.38 2.33 1.57 -0.84 -2.93 116.57 117.52 1nec h LYS 28 Ca 0.02 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 1nec h LYS 28 Cb 1.07 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1nec h LYS 28 CO 0.10 1.02 0.16 -0.84 -0.57 0.00 0.00 179.45 179.32 1nec h ILE 29 N 0.57 1.14 -0.45 1.86 3.07 -0.99 -2.03 117.51 120.68 1nec h ILE 29 Ca 0.03 -0.41 -0.05 0.00 1.55 0.00 0.00 64.86 65.98 1nec h ILE 29 Cb 1.01 0.68 -0.02 0.00 -0.27 0.00 0.00 36.82 38.22 1nec h ILE 29 CO 0.10 0.16 0.06 0.11 -1.05 0.00 0.00 178.15 177.53 1nec h LYS 30 N 0.52 0.69 -0.57 0.16 1.57 -1.51 -2.40 116.57 115.04 1nec h LYS 30 Ca 0.13 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1nec h LYS 30 Cb 0.08 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1nec h LYS 30 CO -0.02 0.67 -0.03 1.15 -0.57 0.00 0.00 179.45 180.65 1nec h THR 31 N 0.67 1.27 -0.59 -0.16 2.02 -1.21 -1.42 112.91 113.49 1nec h THR 31 Ca 0.14 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.14 1nec h THR 31 Cb 0.33 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1nec h THR 31 CO 0.01 0.42 0.36 -0.07 0.37 0.00 0.00 175.52 176.61 1nec h LEU 32 N 0.92 0.70 -0.44 2.58 3.38 -1.18 0.12 115.31 121.39 1nec h LEU 32 Ca 0.16 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1nec h LEU 32 Cb 0.59 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1nec h LEU 32 CO 0.04 0.55 0.21 -0.07 0.09 0.00 0.00 178.44 179.26 1nec h LEU 33 N 0.79 0.30 -0.41 1.67 3.38 -1.09 -3.12 115.31 116.83 1nec h LEU 33 Ca 0.21 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 1nec h LEU 33 Cb -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1nec h LEU 33 CO -0.04 0.22 -0.31 -0.61 0.09 0.00 0.00 178.44 177.78 1nec h GLN 34 N 0.43 0.94 -0.05 1.13 4.15 -0.92 -3.32 115.11 117.46 1nec h GLN 34 Ca 0.19 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1nec h GLN 34 Cb 0.11 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1nec h GLN 34 CO -0.14 1.12 0.00 0.66 -1.93 0.00 0.00 178.83 178.54 1nec n TYR 35 N -4.10 0.05 -1.65 3.99 4.01 -0.00 -4.93 117.16 114.52 1nec n TYR 35 Ca -0.02 -0.02 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 1nec n TYR 35 Cb 0.51 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.55 1nec n TYR 35 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1nec n SER 36 N 0.26 1.91 -4.76 7.72 2.88 -1.19 -4.99 113.62 115.45 1nec n SER 36 Ca 0.18 1.09 -0.30 0.00 -1.33 0.00 0.00 58.87 58.52 1nec n SER 36 Cb 0.36 -1.42 0.12 0.00 -0.75 0.00 0.00 64.21 62.53 1nec n SER 36 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1nec s PRO 37 N -2.04 1.51 -0.04 -1.46 0.04 -1.26 -5.03 135.00 126.72 1nec s PRO 37 Ca 0.61 0.65 -0.28 0.00 0.04 0.00 0.00 61.00 62.03 1nec s PRO 37 Cb -0.55 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.20 1nec s PRO 37 CO 0.58 -2.02 0.61 -1.54 0.04 0.00 0.00 177.00 174.67 1nec s SER 38 N -3.70 -0.57 0.13 6.66 1.04 -1.26 -4.74 113.70 111.25 1nec s SER 38 Ca 0.63 0.59 -0.31 0.00 0.48 0.00 0.00 55.95 57.33 1nec s SER 38 Cb -0.16 0.50 -0.10 0.00 0.10 0.00 0.00 66.02 66.36 1nec s SER 38 CO 0.55 -0.59 1.79 -0.55 0.98 0.00 0.00 173.24 175.42 1nec s SER 39 N -1.25 6.45 -0.52 7.02 0.15 -1.26 -2.01 113.70 122.28 1nec s SER 39 Ca -0.11 2.73 0.00 0.00 0.70 0.00 0.00 55.95 59.27 1nec s SER 39 Cb -0.01 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1nec s SER 39 CO 0.08 -0.98 0.00 0.35 1.20 0.00 0.00 173.24 173.89 1nec n THR 40 N 4.64 0.00 -3.03 6.45 -2.24 -1.26 -2.05 114.28 116.79 1nec n THR 40 Ca 0.17 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.73 1nec n THR 40 Cb 0.38 -0.95 0.03 0.00 -2.10 0.00 0.00 70.33 67.69 1nec n THR 40 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1nec n ASN 41 N -0.50 -5.80 0.14 3.42 5.15 -0.85 -4.91 115.26 111.91 1nec n ASN 41 Ca -0.05 -0.28 0.01 0.00 -0.60 0.00 0.00 54.58 53.66 1nec n ASN 41 Cb 0.37 -4.70 0.33 0.00 -0.53 0.00 0.00 39.78 35.25 1nec n ASN 41 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1nec h SER 42 N -1.26 0.14 -6.77 1.20 4.64 -1.62 -3.47 113.55 106.41 1nec h SER 42 Ca -0.51 -0.04 -0.56 0.00 -0.47 0.00 0.00 61.79 60.20 1nec h SER 42 Cb 1.36 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 63.32 1nec h SER 42 CO 0.56 0.45 -0.95 0.00 -0.87 0.00 0.00 176.83 176.02 1nec n GLN 43 N -4.14 -1.56 -1.37 4.77 6.02 -1.26 -4.82 117.38 115.03 1nec n GLN 43 Ca -0.01 0.23 -0.29 0.00 -0.01 0.00 0.00 57.00 56.91 1nec n GLN 43 Cb 0.38 -3.71 -0.07 0.00 1.02 0.00 0.00 30.24 27.86 1nec n GLN 43 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1nec n PRO 44 N -4.59 3.15 -3.90 -1.09 -0.04 -1.26 -4.88 135.00 122.40 1nec n PRO 44 Ca -0.25 -2.09 -0.10 0.00 -0.04 0.00 0.00 63.50 61.03 1nec n PRO 44 Cb 0.65 -2.42 -0.09 0.00 -0.04 0.00 0.00 33.50 31.60 1nec n PRO 44 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1nec s TRP 45 N 0.60 0.16 0.01 0.54 -2.14 -1.26 -1.44 118.94 115.41 1nec s TRP 45 Ca 0.64 -0.45 0.00 0.00 2.66 0.00 0.00 56.10 58.96 1nec s TRP 45 Cb 0.25 -0.10 -0.01 0.00 -3.10 0.00 0.00 33.47 30.51 1nec s TRP 45 CO -0.07 -0.40 -0.03 -1.58 -2.66 0.00 0.00 176.95 172.21 1nec s HIS 46 N -2.71 0.23 -0.09 1.66 2.46 -0.77 -4.94 115.29 111.14 1nec s HIS 46 Ca -0.04 -0.32 0.02 0.00 0.47 0.00 0.00 55.06 55.19 1nec s HIS 46 Cb -0.00 -0.16 0.01 0.00 -0.13 0.00 0.00 32.58 32.30 1nec s HIS 46 CO -0.05 -0.10 -0.13 -0.06 -2.47 0.00 0.00 174.74 171.93 1nec s PHE 47 N -0.86 1.64 -0.14 3.88 0.08 -1.26 -1.06 117.98 120.25 1nec s PHE 47 Ca -0.09 -0.69 -0.19 0.00 0.12 0.00 0.00 56.93 56.08 1nec s PHE 47 Cb -0.06 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.14 1nec s PHE 47 CO -0.00 -0.37 0.54 0.42 -0.10 0.00 0.00 175.22 175.70 1nec s ILE 48 N 0.91 5.12 -0.43 0.64 1.01 -0.78 -4.93 121.20 122.74 1nec s ILE 48 Ca -0.09 1.06 -0.05 0.00 0.00 0.00 0.00 60.65 61.57 1nec s ILE 48 Cb -0.15 -3.87 0.11 0.00 0.01 0.00 0.00 42.46 38.56 1nec s ILE 48 CO 0.01 0.25 0.25 -0.69 0.00 0.00 0.00 174.94 174.76 1nec s VAL 49 N 1.07 3.58 -0.25 2.92 1.01 -1.26 -1.33 120.40 126.14 1nec s VAL 49 Ca 0.28 -1.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.13 1nec s VAL 49 Cb -0.16 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1nec s VAL 49 CO 0.11 -0.72 0.34 0.00 0.00 0.00 0.00 175.10 174.84 1nec s ALA 50 N 1.20 3.56 0.00 5.51 0.00 0.97 -4.89 121.76 128.12 1nec s ALA 50 Ca 0.08 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1nec s ALA 50 Cb -0.24 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1nec s ALA 50 CO -0.03 -0.54 0.04 -1.13 0.00 0.00 0.00 175.76 174.10 1nec n SER 51 N 5.05 0.07 -4.90 0.00 3.41 -1.26 0.25 113.62 116.23 1nec n SER 51 Ca -0.09 -0.35 -0.28 0.00 -0.26 0.00 0.00 58.87 57.89 1nec n SER 51 Cb 0.51 0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 64.74 1nec n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1nec s THR 52 N -0.30 4.92 0.34 6.66 -4.23 -1.26 -4.91 115.64 116.86 1nec s THR 52 Ca 0.00 0.20 0.05 0.00 -1.18 0.00 0.00 61.69 60.76 1nec s THR 52 Cb 0.00 -3.82 0.14 0.00 1.34 0.00 0.00 72.50 70.16 1nec s THR 52 CO 0.00 -0.67 1.85 1.05 -0.54 0.00 0.00 174.62 176.31 1nec h GLU 53 N 0.73 0.44 -0.15 3.99 4.11 -1.97 -0.35 114.58 121.38 1nec h GLU 53 Ca -0.47 -0.11 -0.05 0.00 0.07 0.00 0.00 59.36 58.80 1nec h GLU 53 Cb 1.20 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1nec h GLU 53 CO 0.63 0.54 -0.10 0.93 0.07 0.00 0.00 179.01 181.07 1nec h GLU 54 N 0.41 0.33 -0.10 1.06 3.07 -1.98 -1.22 114.58 116.14 1nec h GLU 54 Ca 0.08 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1nec h GLU 54 Cb 0.42 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1nec h GLU 54 CO 0.02 0.68 0.07 0.78 -1.40 0.00 0.00 179.01 179.16 1nec h GLY 55 N -0.02 0.15 1.52 -3.84 0.00 -1.88 -1.04 103.07 97.96 1nec h GLY 55 Ca 0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 1nec h GLY 55 CO 0.03 0.05 -0.10 0.50 0.00 0.00 0.00 176.54 177.02 1nec h LYS 56 N 0.13 0.57 -0.26 4.80 1.57 -1.11 -1.00 116.57 121.27 1nec h LYS 56 Ca 0.04 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 1nec h LYS 56 Cb -0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1nec h LYS 56 CO -0.01 0.67 -0.16 0.00 -0.57 0.00 0.00 179.45 179.39 1nec h ALA 57 N 1.36 1.24 -0.42 3.86 0.00 -0.87 0.47 119.26 124.91 1nec h ALA 57 Ca 0.10 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1nec h ALA 57 Cb 0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1nec h ALA 57 CO 0.03 0.49 -0.15 0.00 0.00 0.00 0.00 179.25 179.62 1nec h ARG 58 N 0.42 0.79 -0.31 0.00 3.08 -0.43 -2.37 114.38 115.55 1nec h ARG 58 Ca 0.07 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.76 1nec h ARG 58 Cb 0.52 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1nec h ARG 58 CO 0.03 0.90 -0.12 0.28 -1.07 0.00 0.00 179.97 179.99 1nec h VAL 59 N 0.70 1.29 0.00 2.04 2.07 -0.55 -3.21 116.25 118.59 1nec h VAL 59 Ca 0.11 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1nec h VAL 59 Cb 0.65 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1nec h VAL 59 CO 0.05 0.38 0.00 0.00 0.02 0.00 0.00 177.57 178.02 1nec n ALA 60 N -2.43 1.16 0.27 1.67 0.00 0.10 -2.16 120.51 119.12 1nec n ALA 60 Ca -0.03 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1nec n ALA 60 Cb 0.36 -1.28 0.75 0.00 0.00 0.00 0.00 19.45 19.28 1nec n ALA 60 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nec h LYS 61 N 0.00 0.00 0.00 0.00 1.57 -1.49 -1.95 116.57 114.70 1nec h LYS 61 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nec h LYS 61 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1nec h LYS 61 CO 0.00 0.05 -0.02 0.66 -0.57 0.00 0.00 179.45 179.57 1nec h SER 62 N 0.00 0.00 -0.82 0.86 4.64 -1.67 -3.33 113.55 113.24 1nec h SER 62 Ca -0.00 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.58 1nec h SER 62 Cb 0.12 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.11 1nec h SER 62 CO 0.01 0.02 2.55 0.00 -0.87 0.00 0.00 176.83 178.54 1nec n ALA 63 N -2.10 5.71 -2.52 5.18 0.00 -0.73 -0.40 120.51 125.63 1nec n ALA 63 Ca 0.01 -4.10 -0.25 0.00 0.00 0.00 0.00 53.44 49.10 1nec n ALA 63 Cb 0.37 -3.17 -0.10 0.00 0.00 0.00 0.00 19.45 16.55 1nec n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nec s ALA 64 N 1.27 2.87 0.00 0.00 0.00 -1.25 -3.88 121.76 120.77 1nec s ALA 64 Ca 0.45 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 50.37 1nec s ALA 64 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1nec s ALA 64 CO -0.04 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1nec n GLY 65 N -0.75 4.31 0.24 0.00 0.00 -1.26 -1.17 105.19 106.57 1nec n GLY 65 Ca -0.05 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1nec n GLY 65 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nec h THR 66 N 0.00 1.05 -0.34 2.61 2.02 -1.98 -2.79 112.91 113.47 1nec h THR 66 Ca 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1nec h THR 66 Cb 0.00 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1nec h THR 66 CO 0.00 0.09 0.00 -1.22 0.37 0.00 0.00 175.52 174.76 1nec n TYR 67 N -4.40 0.53 0.17 3.16 4.01 -0.31 -4.28 117.16 116.03 1nec n TYR 67 Ca -0.03 -0.25 0.05 0.00 -0.16 0.00 0.00 57.90 57.52 1nec n TYR 67 Cb 0.17 -0.03 0.51 0.00 -0.31 0.00 0.00 39.34 39.68 1nec n TYR 67 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1nec h VAL 68 N 2.04 1.09 -0.43 -0.72 3.04 -1.59 -0.34 116.25 119.34 1nec h VAL 68 Ca 0.00 -0.35 0.12 0.00 -1.01 0.00 0.00 66.70 65.46 1nec h VAL 68 Cb 0.55 1.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 1nec h VAL 68 CO 0.02 0.11 0.35 2.19 -1.01 0.00 0.00 177.57 179.23 1nec h PHE 69 N 0.15 0.00 -0.01 3.17 -0.00 -1.86 -1.32 116.94 117.07 1nec h PHE 69 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.01 1nec h PHE 69 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.10 1nec h PHE 69 CO 0.00 0.00 -0.08 0.09 -0.00 0.00 0.00 178.31 178.32 1nec n ASN 70 N -4.16 1.19 0.10 -0.68 3.02 -0.14 -4.52 115.26 110.08 1nec n ASN 70 Ca 0.07 -1.23 -0.13 0.00 -0.03 0.00 0.00 54.58 53.26 1nec n ASN 70 Cb 0.54 0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 39.66 1nec n ASN 70 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1nec h GLU 71 N 1.75 -0.19 -0.19 3.52 4.81 -1.31 -3.10 114.58 119.88 1nec h GLU 71 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1nec h GLU 71 Cb 0.46 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1nec h GLU 71 CO 0.00 -0.06 0.04 -0.09 -0.73 0.00 0.00 179.01 178.17 1nec h ARG 72 N -0.27 0.26 -0.91 1.92 9.65 -1.79 -2.12 114.38 121.12 1nec h ARG 72 Ca -0.02 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1nec h ARG 72 Cb 0.21 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 1nec h ARG 72 CO 0.03 0.26 0.58 0.87 2.80 0.00 0.00 179.97 184.51 1nec h LYS 73 N 0.26 1.22 -0.00 0.20 1.57 -1.83 -1.31 116.57 116.68 1nec h LYS 73 Ca 0.07 -0.09 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 1nec h LYS 73 Cb 0.12 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1nec h LYS 73 CO -0.00 0.82 -0.85 0.52 -0.57 0.00 0.00 179.45 179.37 1nec h MET 74 N 1.25 0.17 0.03 3.15 2.86 -1.39 -3.24 114.93 117.75 1nec h MET 74 Ca 0.33 -0.18 -0.25 0.00 -2.06 0.00 0.00 59.70 57.54 1nec h MET 74 Cb -0.10 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1nec h MET 74 CO -0.07 0.92 -1.28 -0.07 1.06 0.00 0.00 176.91 177.47 1nec h LEU 75 N 0.09 0.10 0.00 1.22 3.38 -1.08 -3.35 115.31 115.67 1nec h LEU 75 Ca -0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1nec h LEU 75 Cb 1.47 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 1nec h LEU 75 CO 0.13 1.10 -0.66 0.44 0.09 0.00 0.00 178.44 179.54 1nec h ASP 76 N 0.02 0.00 -4.03 -0.43 3.32 -1.38 -3.47 116.42 110.45 1nec h ASP 76 Ca -0.13 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.45 1nec h ASP 76 Cb 1.89 0.00 0.15 0.00 0.22 0.00 0.00 39.33 41.59 1nec h ASP 76 CO 0.13 0.02 0.23 0.00 -1.72 0.00 0.00 179.24 177.91 1nec s ALA 77 N -3.29 1.40 -0.07 3.45 0.00 -1.22 -3.67 121.76 118.36 1nec s ALA 77 Ca 0.02 -0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.75 1nec s ALA 77 Cb 0.08 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 1nec s ALA 77 CO 0.75 -2.47 0.55 1.03 0.00 0.00 0.00 175.76 175.61 1nec h SER 78 N -1.63 -0.21 -4.14 0.00 0.87 -1.59 -3.47 113.55 103.38 1nec h SER 78 Ca -0.50 -0.19 -0.65 0.00 -1.23 0.00 0.00 61.79 59.22 1nec h SER 78 Cb 1.29 0.05 -0.31 0.00 -0.44 0.00 0.00 62.40 63.00 1nec h SER 78 CO 0.54 0.33 -0.87 -1.00 -0.53 0.00 0.00 176.83 175.30 1nec s HIS 79 N -2.78 2.16 -0.14 2.24 3.76 -0.78 -4.42 115.29 115.33 1nec s HIS 79 Ca -0.08 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.26 1nec s HIS 79 Cb 0.00 -1.42 -0.00 0.00 1.11 0.00 0.00 32.58 32.27 1nec s HIS 79 CO 0.29 -0.15 -0.16 0.08 -0.85 0.00 0.00 174.74 173.95 1nec s VAL 80 N -0.23 2.68 -0.14 -0.90 1.01 0.14 -0.08 120.40 122.88 1nec s VAL 80 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1nec s VAL 80 Cb -0.12 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1nec s VAL 80 CO 0.02 0.52 -0.09 -0.69 0.00 0.00 0.00 175.10 174.87 1nec s VAL 81 N 0.63 3.45 -0.24 2.92 1.01 -0.38 -0.02 120.40 127.77 1nec s VAL 81 Ca -0.09 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1nec s VAL 81 Cb -0.16 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1nec s VAL 81 CO 0.03 0.52 -0.03 -0.69 0.00 0.00 0.00 175.10 174.92 1nec s VAL 82 N 0.28 3.33 -0.33 2.92 1.01 -0.44 0.09 120.40 127.26 1nec s VAL 82 Ca -0.07 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 1nec s VAL 82 Cb -0.15 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1nec s VAL 82 CO 0.04 0.31 0.47 -0.36 0.00 0.00 0.00 175.10 175.56 1nec s PHE 83 N 1.44 3.20 0.06 5.22 0.40 0.01 -1.87 117.98 126.44 1nec s PHE 83 Ca 0.04 0.21 0.09 0.00 -0.60 0.00 0.00 56.93 56.67 1nec s PHE 83 Cb -0.15 -2.82 -0.03 0.00 0.51 0.00 0.00 43.02 40.52 1nec s PHE 83 CO -0.03 -0.47 -0.26 0.00 0.70 0.00 0.00 175.22 175.17 1nec s ALA 85 N -0.86 3.24 0.63 0.00 0.00 -0.14 -1.84 121.76 122.79 1nec s ALA 85 Ca 0.12 -1.22 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 1nec s ALA 85 Cb -0.10 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1nec s ALA 85 CO 0.03 0.61 1.22 0.15 0.00 0.00 0.00 175.76 177.77 1nec s LYS 86 N -2.57 2.74 0.09 0.00 1.02 -0.52 -0.93 119.74 119.57 1nec s LYS 86 Ca 0.26 1.85 0.22 0.00 0.02 0.00 0.00 55.97 58.32 1nec s LYS 86 Cb -0.11 -1.90 -0.13 0.00 -0.52 0.00 0.00 37.83 35.17 1nec s LYS 86 CO 0.18 -1.39 0.81 0.25 -0.92 0.00 0.00 175.35 174.28 1nec n THR 87 N -1.88 0.32 -3.72 2.17 -2.24 -0.31 -4.79 114.28 103.83 1nec n THR 87 Ca 0.14 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1nec n THR 87 Cb 0.49 -0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.49 1nec n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nec s ALA 88 N -3.41 -1.11 -0.37 6.98 0.00 -1.26 -4.32 121.76 118.27 1nec s ALA 88 Ca -0.03 1.28 -0.24 0.00 0.00 0.00 0.00 51.96 52.97 1nec s ALA 88 Cb 0.12 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1nec s ALA 88 CO 0.84 -0.21 0.82 1.41 0.00 0.00 0.00 175.76 178.62 1nec s MET 89 N 0.29 3.75 0.09 0.00 1.75 -1.26 -5.04 119.30 118.89 1nec s MET 89 Ca -0.00 0.36 0.02 0.00 -1.25 0.00 0.00 55.69 54.82 1nec s MET 89 Cb -0.03 -3.82 -0.04 0.00 2.84 0.00 0.00 34.83 33.78 1nec s MET 89 CO -0.00 -0.90 0.14 0.16 -0.65 0.00 0.00 175.02 173.78 1nec s ASP 90 N 1.87 5.84 0.45 1.11 -4.77 -1.26 -5.02 116.67 114.90 1nec s ASP 90 Ca 0.33 0.07 0.13 0.00 -3.30 0.00 0.00 52.55 49.78 1nec s ASP 90 Cb -0.13 -1.65 1.05 0.00 -1.09 0.00 0.00 42.92 41.10 1nec s ASP 90 CO 0.18 0.15 2.05 0.44 0.70 0.00 0.00 175.17 178.69 1nec h ASP 91 N 3.00 0.29 0.21 2.11 5.19 -1.99 -2.00 116.42 123.22 1nec h ASP 91 Ca -0.46 -0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 55.84 1nec h ASP 91 Cb 1.17 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 1nec h ASP 91 CO 0.69 0.19 -0.40 0.00 -3.12 0.00 0.00 179.24 176.60 1nec h ALA 92 N 1.79 1.11 -0.23 3.45 0.00 -1.99 -1.64 119.26 121.75 1nec h ALA 92 Ca 0.16 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1nec h ALA 92 Cb 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1nec h ALA 92 CO -0.04 0.58 -0.38 2.35 0.00 0.00 0.00 179.25 181.76 1nec h TRP 93 N 0.22 0.84 -0.78 0.00 2.91 -1.79 -1.61 115.95 115.72 1nec h TRP 93 Ca 0.02 -0.29 0.11 0.00 1.13 0.00 0.00 58.89 59.86 1nec h TRP 93 Cb 0.80 -0.16 -0.08 0.00 -0.51 0.00 0.00 29.16 29.21 1nec h TRP 93 CO 0.01 1.05 0.41 -0.07 -1.03 0.00 0.00 178.44 178.82 1nec h LEU 94 N 0.38 0.55 -0.71 0.65 3.38 -1.05 -2.04 115.31 116.48 1nec h LEU 94 Ca 0.02 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1nec h LEU 94 Cb 0.98 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1nec h LEU 94 CO 0.09 0.29 -0.32 -0.33 0.09 0.00 0.00 178.44 178.26 1nec h GLU 95 N 0.67 0.63 -0.84 1.13 5.08 -1.27 -2.70 114.58 117.28 1nec h GLU 95 Ca 0.39 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1nec h GLU 95 Cb 0.44 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1nec h GLU 95 CO -0.29 0.87 0.48 -0.09 -1.00 0.00 0.00 179.01 178.99 1nec h ARG 96 N 0.54 1.16 -0.07 2.33 2.43 -0.60 -0.92 114.38 119.25 1nec h ARG 96 Ca 0.06 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1nec h ARG 96 Cb 0.81 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1nec h ARG 96 CO 0.07 0.84 -0.00 0.28 -1.51 0.00 0.00 179.97 179.64 1nec h VAL 97 N 1.16 1.26 -0.66 0.20 2.07 -1.29 -1.53 116.25 117.47 1nec h VAL 97 Ca 0.30 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 1nec h VAL 97 Cb -0.00 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1nec h VAL 97 CO -0.05 0.22 0.14 1.62 0.02 0.00 0.00 177.57 179.52 1nec h VAL 98 N -0.17 1.26 -0.21 2.57 3.04 -1.44 -0.95 116.25 120.35 1nec h VAL 98 Ca 0.02 -0.98 -0.08 0.00 -1.01 0.00 0.00 66.70 64.65 1nec h VAL 98 Cb 0.35 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.25 1nec h VAL 98 CO 0.00 0.37 -0.24 0.44 -1.01 0.00 0.00 177.57 177.14 1nec h ASP 99 N 0.99 0.39 -0.54 3.17 3.32 -1.11 -2.60 116.42 120.02 1nec h ASP 99 Ca 0.20 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 1nec h ASP 99 Cb 0.39 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1nec h ASP 99 CO 0.01 0.63 -0.02 -0.61 -1.72 0.00 0.00 179.24 177.53 1nec h GLN 100 N 0.35 1.00 -0.32 3.56 5.75 -0.93 -1.35 115.11 123.17 1nec h GLN 100 Ca 0.05 -0.32 -0.06 0.00 -0.15 0.00 0.00 58.65 58.18 1nec h GLN 100 Cb 0.61 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 1nec h GLN 100 CO 0.04 1.00 -0.05 0.93 -2.65 0.00 0.00 178.83 178.10 1nec h GLU 101 N 0.92 0.51 -0.26 1.69 5.08 -0.97 -1.86 114.58 119.69 1nec h GLU 101 Ca 0.16 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1nec h GLU 101 Cb 0.56 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1nec h GLU 101 CO 0.03 0.58 -0.14 1.49 -1.00 0.00 0.00 179.01 179.97 1nec h GLU 102 N 0.48 0.55 -0.49 2.33 4.81 -1.34 -2.38 114.58 118.54 1nec h GLU 102 Ca 0.10 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1nec h GLU 102 Cb 0.39 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1nec h GLU 102 CO 0.02 0.81 0.33 0.00 -0.73 0.00 0.00 179.01 179.44 1nec h ALA 103 N 0.73 1.67 0.00 2.92 0.00 -0.84 -1.94 119.26 121.80 1nec h ALA 103 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nec h ALA 103 Cb 0.65 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nec h ALA 103 CO 0.04 0.30 0.00 -0.25 0.00 0.00 0.00 179.25 179.34 1nec n ASP 104 N -4.46 0.00 -0.32 0.00 8.00 -0.74 -4.94 116.55 114.10 1nec n ASP 104 Ca 0.05 -0.81 -0.00 0.00 0.71 0.00 0.00 54.79 54.73 1nec n ASP 104 Cb 0.07 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1nec n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nec n GLY 105 N 0.95 0.65 0.01 0.44 0.00 -0.73 -4.98 105.19 101.53 1nec n GLY 105 Ca 0.21 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.58 1nec n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nec n ARG 106 N -0.82 0.06 -5.18 1.61 1.74 -0.91 -4.89 116.66 108.27 1nec n ARG 106 Ca -0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1nec n ARG 106 Cb 0.50 -1.52 -0.16 0.00 -1.02 0.00 0.00 32.46 30.26 1nec n ARG 106 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1nec s PHE 107 N -3.04 2.20 -0.08 -1.55 0.08 -1.26 -5.03 117.98 109.29 1nec s PHE 107 Ca 0.09 -0.41 0.18 0.00 0.12 0.00 0.00 56.93 56.90 1nec s PHE 107 Cb 0.16 -1.40 -0.27 0.00 -0.57 0.00 0.00 43.02 40.94 1nec s PHE 107 CO 0.76 -0.02 0.42 0.09 -0.10 0.00 0.00 175.22 176.37 1nec n ASN 108 N 2.39 0.91 -4.20 1.36 4.13 -1.26 -4.97 115.26 113.62 1nec n ASN 108 Ca -0.16 -0.07 -0.12 0.00 1.68 0.00 0.00 54.58 55.92 1nec n ASN 108 Cb 0.52 1.76 -0.10 0.00 -1.54 0.00 0.00 39.78 40.41 1nec n ASN 108 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1nec s THR 109 N -3.20 0.35 0.36 3.41 -4.23 -1.26 -5.02 115.64 106.05 1nec s THR 109 Ca -0.06 -1.95 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 1nec s THR 109 Cb 0.12 -2.12 0.11 0.00 1.34 0.00 0.00 72.50 71.94 1nec s THR 109 CO 0.74 -0.43 1.84 1.55 -0.54 0.00 0.00 174.62 177.78 1nec h PRO 110 N 2.76 0.20 -0.35 3.99 0.13 -2.00 -1.95 132.00 134.77 1nec h PRO 110 Ca -0.36 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 1nec h PRO 110 Cb 1.21 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1nec h PRO 110 CO 0.60 0.45 -0.03 0.93 -0.23 0.00 0.00 178.00 179.72 1nec h GLU 111 N 0.18 0.56 -0.25 0.86 3.07 -1.98 -0.68 114.58 116.33 1nec h GLU 111 Ca 0.03 -0.14 -0.11 0.00 -0.50 0.00 0.00 59.36 58.64 1nec h GLU 111 Cb 0.55 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 1nec h GLU 111 CO 0.04 0.61 -0.31 0.00 -1.40 0.00 0.00 179.01 177.95 1nec h ALA 112 N 1.44 0.99 -0.03 3.43 0.00 -1.76 -0.76 119.26 122.58 1nec h ALA 112 Ca 0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1nec h ALA 112 Cb 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1nec h ALA 112 CO 0.02 0.60 -0.00 -0.22 0.00 0.00 0.00 179.25 179.65 1nec h LYS 113 N 0.45 0.05 -0.90 0.00 3.64 -1.20 -1.94 116.57 116.67 1nec h LYS 113 Ca 0.06 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1nec h LYS 113 Cb 0.77 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.52 1nec h LYS 113 CO 0.06 0.34 0.57 0.00 -2.27 0.00 0.00 179.45 178.15 1nec h ALA 114 N 0.70 1.22 -0.69 5.00 0.00 -1.10 0.11 119.26 124.50 1nec h ALA 114 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1nec h ALA 114 Cb 0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1nec h ALA 114 CO 0.00 0.34 0.21 0.00 0.00 0.00 0.00 179.25 179.80 1nec h ALA 115 N 1.41 1.06 -0.04 0.00 0.00 -0.94 -1.48 119.26 119.26 1nec h ALA 115 Ca 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1nec h ALA 115 Cb 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1nec h ALA 115 CO -0.16 0.63 -0.00 -0.97 0.00 0.00 0.00 179.25 178.75 1nec h ASN 116 N 1.03 0.08 -0.64 0.00 -0.73 -0.55 -1.62 115.58 113.14 1nec h ASN 116 Ca 0.22 -0.33 0.08 0.00 1.87 0.00 0.00 56.30 58.14 1nec h ASN 116 Cb 0.30 -0.02 -0.06 0.00 0.27 0.00 0.00 38.32 38.81 1nec h ASN 116 CO -0.01 0.39 0.31 -0.74 -0.37 0.00 0.00 177.43 177.02 1nec h HIS 117 N -0.24 0.56 -0.63 0.67 2.76 -0.60 -2.01 115.15 115.67 1nec h HIS 117 Ca 0.01 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 1nec h HIS 117 Cb 0.35 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 1nec h HIS 117 CO 0.04 0.22 0.23 0.87 -1.30 0.00 0.00 177.93 177.99 1nec h LYS 118 N 0.56 0.95 -0.24 5.26 1.57 -1.25 -1.64 116.57 121.78 1nec h LYS 118 Ca 0.31 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1nec h LYS 118 Cb 0.28 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1nec h LYS 118 CO -0.24 0.82 -0.00 0.78 -0.57 0.00 0.00 179.45 180.24 1nec h GLY 119 N 0.89 0.47 0.99 3.86 0.00 -0.83 -2.01 103.07 106.43 1nec h GLY 119 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1nec h GLY 119 CO -0.01 0.32 0.16 -0.09 0.00 0.00 0.00 176.54 176.91 1nec h ARG 120 N 0.21 0.31 -0.56 4.80 2.43 -1.35 -2.89 114.38 117.32 1nec h ARG 120 Ca 0.07 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1nec h ARG 120 Cb 0.42 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1nec h ARG 120 CO 0.01 0.21 0.29 1.15 -1.51 0.00 0.00 179.97 180.12 1nec h THR 121 N 0.32 0.94 0.09 0.20 2.02 -1.22 0.73 112.91 115.99 1nec h THR 121 Ca 0.09 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1nec h THR 121 Cb -0.03 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1nec h THR 121 CO -0.03 0.10 -0.11 0.22 0.37 0.00 0.00 175.52 176.08 1nec h TYR 122 N 0.54 -0.27 -0.66 3.16 5.03 -1.26 0.26 116.97 123.77 1nec h TYR 122 Ca 0.25 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.49 1nec h TYR 122 Cb 0.17 0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.53 1nec h TYR 122 CO -0.10 -0.17 0.11 0.35 -1.32 0.00 0.00 178.16 177.04 1nec h PHE 123 N -0.23 1.16 -0.77 -3.82 3.04 -1.42 0.18 116.94 115.08 1nec h PHE 123 Ca 0.01 -0.16 -0.02 0.00 3.98 0.00 0.00 57.97 61.78 1nec h PHE 123 Cb 0.23 -0.32 -0.04 0.00 2.56 0.00 0.00 35.95 38.38 1nec h PHE 123 CO -0.13 0.97 0.38 0.00 -2.02 0.00 0.00 178.31 177.52 1nec h ALA 124 N 1.05 1.22 0.00 2.41 0.00 -0.59 -1.96 119.26 121.38 1nec h ALA 124 Ca 0.20 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1nec h ALA 124 Cb 0.43 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1nec h ALA 124 CO 0.01 0.60 -0.35 -0.44 0.00 0.00 0.00 179.25 179.08 1nec h ASP 125 N 1.09 0.00 -0.70 0.00 3.32 -0.10 0.12 116.42 120.15 1nec h ASP 125 Ca 0.27 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.33 1nec h ASP 125 Cb 0.09 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1nec h ASP 125 CO -0.04 0.35 0.46 -0.03 -1.72 0.00 0.00 179.24 178.27 1nec h MET 126 N 0.00 0.89 0.09 3.56 4.05 -0.16 0.12 114.93 123.47 1nec h MET 126 Ca -0.00 -0.05 -0.22 0.00 -0.28 0.00 0.00 59.70 59.14 1nec h MET 126 Cb 0.80 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.40 1nec h MET 126 CO 0.05 0.59 -1.14 0.45 0.23 0.00 0.00 176.91 177.08 1nec h HIS 127 N 0.92 0.34 0.00 1.39 3.86 -1.37 -0.04 115.15 120.24 1nec h HIS 127 Ca 0.27 -0.24 -0.13 0.00 -1.16 0.00 0.00 60.37 59.10 1nec h HIS 127 Cb -0.05 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1nec h HIS 127 CO -0.00 1.45 -0.64 0.07 0.86 0.00 0.00 177.93 179.67 1nec h ARG 128 N -0.50 0.00 0.00 2.45 0.11 -0.52 -0.36 114.38 115.56 1nec h ARG 128 Ca -0.25 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.67 1nec h ARG 128 Cb 1.59 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.64 1nec h ARG 128 CO 0.02 0.59 -1.39 0.28 0.10 0.00 0.00 179.97 179.57 1nec n VAL 129 N -3.24 1.28 -0.05 0.08 0.31 0.40 -4.21 118.33 112.90 1nec n VAL 129 Ca 0.01 -0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.18 1nec n VAL 129 Cb 0.78 -1.97 -0.12 0.00 -0.91 0.00 0.00 33.84 31.62 1nec n VAL 129 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1nec h ASP 130 N -0.73 0.00 0.63 4.52 3.32 -1.47 -3.38 116.42 119.32 1nec h ASP 130 Ca -0.24 -0.84 -0.01 0.00 0.02 0.00 0.00 57.03 55.95 1nec h ASP 130 Cb 1.07 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1nec h ASP 130 CO -0.15 0.85 -1.38 0.18 -1.72 0.00 0.00 179.24 177.02 1nec n LEU 131 N -4.68 0.55 -3.88 1.55 4.77 -0.03 -4.99 117.00 110.29 1nec n LEU 131 Ca -0.10 0.22 -0.25 0.00 -0.03 0.00 0.00 56.01 55.85 1nec n LEU 131 Cb 0.41 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1nec n LEU 131 CO 0.34 -0.10 -0.16 0.29 -1.33 0.00 0.00 177.39 176.43 1nec n LYS 132 N -2.55 -3.93 -0.98 3.23 5.02 -0.28 -4.91 118.16 113.76 1nec n LYS 132 Ca -0.02 0.48 0.04 0.00 -2.02 0.00 0.00 58.31 56.79 1nec n LYS 132 Cb 0.58 -4.81 0.07 0.00 -0.02 0.00 0.00 35.03 30.85 1nec n LYS 132 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1nec n ASP 133 N -2.99 1.09 0.05 4.39 5.75 -0.41 -4.84 116.55 119.59 1nec n ASP 133 Ca -0.28 -2.54 0.02 0.00 -0.01 0.00 0.00 54.79 51.98 1nec n ASP 133 Cb 0.67 -0.35 0.36 0.00 -1.03 0.00 0.00 41.12 40.78 1nec n ASP 133 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1nec h ASP 134 N 0.72 0.38 -0.11 -1.12 2.03 -1.90 0.17 116.42 116.59 1nec h ASP 134 Ca -0.11 -0.06 0.01 0.00 -0.73 0.00 0.00 57.03 56.14 1nec h ASP 134 Cb 1.52 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 39.91 1nec h ASP 134 CO 0.05 0.44 0.02 -2.24 -1.03 0.00 0.00 179.24 176.48 1nec h ASP 135 N 0.40 0.00 -0.40 4.15 2.03 -1.89 -1.45 116.42 119.27 1nec h ASP 135 Ca 0.09 0.02 -0.13 0.00 -0.73 0.00 0.00 57.03 56.28 1nec h ASP 135 Cb 0.27 0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.78 1nec h ASP 135 CO 0.01 0.02 -0.23 1.56 -1.03 0.00 0.00 179.24 179.57 1nec h GLN 136 N 0.07 0.90 -0.59 4.15 1.08 -1.62 -2.21 115.11 116.90 1nec h GLN 136 Ca 0.05 -0.38 -0.03 0.00 -1.45 0.00 0.00 58.65 56.84 1nec h GLN 136 Cb 0.04 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 1nec h GLN 136 CO -0.07 1.03 0.27 2.35 -0.95 0.00 0.00 178.83 181.46 1nec h TRP 137 N 0.78 0.86 -0.24 2.96 7.01 -0.61 -1.60 115.95 125.10 1nec h TRP 137 Ca 0.10 -0.05 -0.14 0.00 2.11 0.00 0.00 58.89 60.91 1nec h TRP 137 Cb 0.78 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 1nec h TRP 137 CO 0.05 0.67 -0.44 0.52 -2.79 0.00 0.00 178.44 176.45 1nec h MET 138 N 0.80 0.59 -0.53 2.65 2.86 -1.11 -2.86 114.93 117.33 1nec h MET 138 Ca 0.20 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1nec h MET 138 Cb 0.14 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1nec h MET 138 CO -0.02 0.92 0.16 0.00 1.06 0.00 0.00 176.91 179.02 1nec h ALA 139 N 1.04 1.29 -0.59 6.32 0.00 -1.26 -2.45 119.26 123.60 1nec h ALA 139 Ca 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1nec h ALA 139 Cb 0.96 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1nec h ALA 139 CO 0.09 0.51 0.19 0.87 0.00 0.00 0.00 179.25 180.91 1nec h LYS 140 N 0.77 0.89 -0.00 0.00 1.57 -1.08 -2.17 116.57 116.55 1nec h LYS 140 Ca 0.18 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1nec h LYS 140 Cb 0.24 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1nec h LYS 140 CO -0.01 0.76 -0.35 1.96 -0.57 0.00 0.00 179.45 181.24 1nec h GLN 141 N 0.86 0.00 -0.34 3.15 1.08 -1.24 -2.09 115.11 116.53 1nec h GLN 141 Ca 0.20 -0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.24 1nec h GLN 141 Cb 0.24 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1nec h GLN 141 CO -0.01 0.35 -0.39 0.28 -0.95 0.00 0.00 178.83 178.12 1nec h VAL 142 N 0.00 1.28 -0.14 -0.54 2.07 -1.06 -2.13 116.25 115.74 1nec h VAL 142 Ca -0.00 -1.56 -0.07 0.00 0.82 0.00 0.00 66.70 65.88 1nec h VAL 142 Cb 0.62 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1nec h VAL 142 CO 0.05 0.51 -0.25 1.88 0.02 0.00 0.00 177.57 179.79 1nec h TYR 143 N 0.66 0.27 -0.54 1.57 -1.99 -1.20 -0.71 116.97 115.03 1nec h TYR 143 Ca 0.05 -0.05 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 1nec h TYR 143 Cb 0.98 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.62 1nec h TYR 143 CO 0.07 0.48 0.09 1.25 -0.00 0.00 0.00 178.16 180.05 1nec h LEU 144 N 0.23 0.86 -0.36 3.88 6.46 -1.26 -0.75 115.31 124.36 1nec h LEU 144 Ca 0.04 -0.26 -0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1nec h LEU 144 Cb 0.56 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1nec h LEU 144 CO 0.04 0.90 0.22 -1.13 -0.62 0.00 0.00 178.44 177.85 1nec h ASN 145 N 0.79 0.43 -0.43 1.25 -0.73 -1.05 -1.75 115.58 114.08 1nec h ASN 145 Ca 0.17 -0.04 0.08 0.00 1.87 0.00 0.00 56.30 58.37 1nec h ASN 145 Cb 0.40 -0.11 -0.07 0.00 0.27 0.00 0.00 38.32 38.82 1nec h ASN 145 CO 0.01 0.34 0.02 0.58 -0.37 0.00 0.00 177.43 178.01 1nec h VAL 146 N 0.47 0.70 -0.42 2.57 2.07 -0.75 -0.08 116.25 120.81 1nec h VAL 146 Ca 0.13 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1nec h VAL 146 Cb -0.01 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 1nec h VAL 146 CO -0.03 0.03 -0.17 1.23 0.02 0.00 0.00 177.57 178.65 1nec h GLY 147 N 0.14 0.18 0.60 2.17 0.00 -0.68 -0.08 103.07 105.40 1nec h GLY 147 Ca 0.21 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.80 1nec h GLY 147 CO -0.33 -0.19 0.04 -0.57 0.00 0.00 0.00 176.54 175.48 1nec h ASN 148 N -0.08 -0.04 -0.54 0.19 -1.24 -1.01 -3.07 115.58 109.79 1nec h ASN 148 Ca 0.20 0.06 -0.07 0.00 0.71 0.00 0.00 56.30 57.20 1nec h ASN 148 Cb 0.39 0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 1nec h ASN 148 CO -0.47 0.01 0.06 0.15 -1.29 0.00 0.00 177.43 175.90 1nec h PHE 149 N 0.14 0.97 -0.30 0.67 3.57 -0.37 -2.33 116.94 119.28 1nec h PHE 149 Ca 0.14 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1nec h PHE 149 Cb 0.17 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1nec h PHE 149 CO -0.19 0.87 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.65 1nec h LEU 150 N 0.79 0.45 -0.09 0.59 3.38 -1.01 -0.47 115.31 118.94 1nec h LEU 150 Ca 0.16 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1nec h LEU 150 Cb 0.44 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1nec h LEU 150 CO 0.01 0.55 -0.30 0.25 0.09 0.00 0.00 178.44 179.04 1nec h LEU 151 N 0.45 0.42 -0.08 1.67 5.85 -1.52 -2.86 115.31 119.25 1nec h LEU 151 Ca 0.09 -0.61 0.02 0.00 0.84 0.00 0.00 57.88 58.23 1nec h LEU 151 Cb 0.36 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1nec h LEU 151 CO 0.02 0.96 -0.04 1.23 -0.34 0.00 0.00 178.44 180.26 1nec h GLY 152 N -0.09 0.03 1.46 3.75 0.00 -1.17 0.66 103.07 107.71 1nec h GLY 152 Ca -0.01 0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1nec h GLY 152 CO 0.06 -0.06 -0.11 -0.39 0.00 0.00 0.00 176.54 176.05 1nec h VAL 153 N -0.04 1.24 -0.36 4.60 -1.51 -1.17 -1.34 116.25 117.68 1nec h VAL 153 Ca 0.05 -1.09 0.06 0.00 -1.23 0.00 0.00 66.70 64.49 1nec h VAL 153 Cb 0.11 1.08 -0.06 0.00 -2.13 0.00 0.00 31.29 30.29 1nec h VAL 153 CO -0.11 0.37 0.01 1.23 -1.23 0.00 0.00 177.57 177.84 1nec h GLY 154 N 0.96 0.36 2.00 5.19 0.00 -1.24 -1.22 103.07 109.12 1nec h GLY 154 Ca 0.11 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 1nec h GLY 154 CO 0.03 -0.08 -0.19 0.00 0.00 0.00 0.00 176.54 176.31 1nec h ALA 155 N 1.31 1.10 0.00 3.60 0.00 0.19 -2.17 119.26 123.29 1nec h ALA 155 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nec h ALA 155 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nec h ALA 155 CO -0.28 0.23 0.00 -1.33 0.00 0.00 0.00 179.25 177.87 1nec n MET 156 N -3.46 0.04 -0.48 0.00 2.81 -0.68 -4.92 117.12 110.44 1nec n MET 156 Ca -0.01 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1nec n MET 156 Cb 0.36 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1nec n MET 156 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nec n GLY 157 N 1.24 0.70 3.90 3.03 0.00 -0.81 -5.08 105.19 108.16 1nec n GLY 157 Ca 0.06 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 1nec n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nec s LEU 158 N 0.00 4.11 0.23 0.99 1.43 -0.51 -5.02 118.68 119.92 1nec s LEU 158 Ca 0.00 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1nec s LEU 158 Cb 0.00 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1nec s LEU 158 CO 0.00 -0.03 0.40 -1.81 0.23 0.00 0.00 176.35 175.14 1nec s ASP 159 N -3.76 6.35 0.27 2.29 1.01 0.78 -4.16 116.67 119.45 1nec s ASP 159 Ca 0.33 0.31 -0.20 0.00 0.71 0.00 0.00 52.55 53.70 1nec s ASP 159 Cb -0.09 -1.97 0.02 0.00 1.01 0.00 0.00 42.92 41.89 1nec s ASP 159 CO 0.27 -0.09 0.68 0.00 0.21 0.00 0.00 175.17 176.24 1nec s ALA 160 N -1.97 -1.11 -0.12 5.23 0.00 -1.26 -1.39 121.76 121.13 1nec s ALA 160 Ca 0.37 -0.33 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 1nec s ALA 160 Cb -0.10 0.88 0.05 0.00 0.00 0.00 0.00 23.12 23.94 1nec s ALA 160 CO 0.30 -1.00 0.28 0.54 0.00 0.00 0.00 175.76 175.89 1nec s VAL 161 N -3.92 -0.04 -0.01 0.00 0.11 -1.08 -1.70 120.40 113.76 1nec s VAL 161 Ca 0.12 0.13 -0.27 0.00 -2.93 0.00 0.00 61.98 59.03 1nec s VAL 161 Cb -0.05 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1nec s VAL 161 CO 0.06 0.05 0.84 -2.16 -3.33 0.00 0.00 175.10 170.56 1nec s PRO 162 N 1.27 4.51 -0.16 1.54 0.04 -1.26 -3.65 135.00 137.29 1nec s PRO 162 Ca -0.09 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.12 1nec s PRO 162 Cb -0.10 -3.43 0.02 0.00 0.04 0.00 0.00 34.50 31.03 1nec s PRO 162 CO -0.09 0.06 -0.19 0.42 0.04 0.00 0.00 177.00 177.24 1nec s ILE 163 N 0.69 1.96 -0.34 0.56 1.01 0.15 -4.94 121.20 120.30 1nec s ILE 163 Ca 0.44 -0.89 0.20 0.00 0.00 0.00 0.00 60.65 60.40 1nec s ILE 163 Cb -0.20 -1.77 -0.28 0.00 0.01 0.00 0.00 42.46 40.22 1nec s ILE 163 CO 0.24 0.53 0.59 -0.62 0.00 0.00 0.00 174.94 175.67 1nec n GLU 164 N 4.51 0.56 -2.73 2.79 1.02 -1.26 -1.76 120.64 123.76 1nec n GLU 164 Ca -0.20 -0.12 -0.43 0.00 -0.02 0.00 0.00 57.16 56.39 1nec n GLU 164 Cb 0.50 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.44 1nec n GLU 164 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1nec s GLY 165 N -3.85 1.74 0.10 0.62 0.00 -1.26 -4.87 107.32 99.80 1nec s GLY 165 Ca -0.02 -2.77 -0.25 0.00 0.00 0.00 0.00 44.72 41.68 1nec s GLY 165 CO 0.84 2.41 0.69 -0.11 0.00 0.00 0.00 173.10 176.93 1nec s PHE 166 N 3.56 -0.49 -0.49 1.90 -0.71 -1.26 -4.80 117.98 115.69 1nec s PHE 166 Ca 0.44 0.36 -0.19 0.00 -1.04 0.00 0.00 56.93 56.50 1nec s PHE 166 Cb -0.01 0.54 0.05 0.00 -1.21 0.00 0.00 43.02 42.40 1nec s PHE 166 CO -0.03 -0.75 0.59 0.34 -1.34 0.00 0.00 175.22 174.03 1nec s ASP 167 N -2.55 6.22 0.38 1.98 -1.08 0.46 -4.94 116.67 117.15 1nec s ASP 167 Ca 0.01 -0.87 0.11 0.00 -0.52 0.00 0.00 52.55 51.28 1nec s ASP 167 Cb -0.01 -2.28 0.75 0.00 -1.46 0.00 0.00 42.92 39.92 1nec s ASP 167 CO -0.10 -0.83 1.86 0.00 0.52 0.00 0.00 175.17 176.62 1nec h ALA 168 N 8.94 1.44 -0.51 3.66 0.00 -1.90 -1.89 119.26 129.00 1nec h ALA 168 Ca -0.27 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1nec h ALA 168 Cb 1.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1nec h ALA 168 CO 0.94 0.41 0.05 0.00 0.00 0.00 0.00 179.25 180.64 1nec h ALA 169 N 1.63 0.68 0.30 0.00 0.00 -1.95 0.56 119.26 120.48 1nec h ALA 169 Ca 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1nec h ALA 169 Cb 0.53 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nec h ALA 169 CO 0.04 0.45 -0.14 0.82 0.00 0.00 0.00 179.25 180.42 1nec h ILE 170 N 0.74 0.72 -0.66 0.00 2.04 -1.94 -1.65 117.51 116.75 1nec h ILE 170 Ca 0.15 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.98 1nec h ILE 170 Cb 0.45 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1nec h ILE 170 CO 0.02 0.01 0.44 0.25 0.00 0.00 0.00 178.15 178.86 1nec h LEU 171 N -0.42 0.75 -0.81 1.44 5.85 -0.98 -1.10 115.31 120.05 1nec h LEU 171 Ca -0.04 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1nec h LEU 171 Cb 0.32 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1nec h LEU 171 CO 0.07 0.54 0.25 0.44 -0.34 0.00 0.00 178.44 179.39 1nec h ASP 172 N 0.89 1.06 -0.10 1.25 5.19 0.29 -3.00 116.42 122.00 1nec h ASP 172 Ca 0.25 -0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1nec h ASP 172 Cb -0.08 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.15 1nec h ASP 172 CO -0.06 0.97 0.04 -0.08 -3.12 0.00 0.00 179.24 176.99 1nec h GLU 173 N 1.10 0.15 -0.54 3.56 4.81 -1.02 0.14 114.58 122.76 1nec h GLU 173 Ca 0.24 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.55 1nec h GLU 173 Cb 0.28 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.55 1nec h GLU 173 CO -0.01 0.28 0.03 1.49 -0.73 0.00 0.00 179.01 180.06 1nec h GLU 174 N -0.01 0.14 -0.38 1.92 4.57 -1.08 -2.29 114.58 117.46 1nec h GLU 174 Ca 0.03 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1nec h GLU 174 Cb 0.19 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1nec h GLU 174 CO -0.00 0.09 0.00 1.19 -1.18 0.00 0.00 179.01 179.11 1nec n PHE 175 N -5.22 0.48 -3.51 0.92 3.01 -1.14 -5.00 117.46 107.00 1nec n PHE 175 Ca 0.07 -0.24 -0.19 0.00 1.01 0.00 0.00 57.45 58.10 1nec n PHE 175 Cb 0.30 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.83 1nec n PHE 175 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nec n GLY 176 N 1.49 -0.47 0.11 1.37 0.00 0.09 -4.94 105.19 102.84 1nec n GLY 176 Ca 0.19 0.19 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 1nec n GLY 176 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nec h LEU 177 N -1.78 0.45 -1.48 0.99 3.38 -1.11 -3.28 115.31 112.48 1nec h LEU 177 Ca -0.60 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 56.85 1nec h LEU 177 Cb 1.34 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1nec h LEU 177 CO 0.51 1.34 -0.24 0.11 0.09 0.00 0.00 178.44 180.26 1nec h LYS 178 N 0.09 0.04 0.00 1.13 1.57 -1.75 -0.88 116.57 116.77 1nec h LYS 178 Ca -0.13 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 1nec h LYS 178 Cb 1.92 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.21 1nec h LYS 178 CO 0.20 0.27 -0.52 0.93 -0.57 0.00 0.00 179.45 179.77 1nec h GLU 179 N 0.03 0.00 -0.00 3.15 3.07 -1.89 -2.38 114.58 116.57 1nec h GLU 179 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nec h GLU 179 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1nec h GLU 179 CO 0.03 0.52 -0.12 1.63 -1.40 0.00 0.00 179.01 179.67 1nec n LYS 180 N -3.53 0.47 -1.04 2.33 5.02 -0.42 -4.94 118.16 116.06 1nec n LYS 180 Ca -0.00 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1nec n LYS 180 Cb 0.61 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1nec n LYS 180 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nec n GLY 181 N 1.34 0.74 3.35 0.72 0.00 -0.70 -5.03 105.19 105.61 1nec n GLY 181 Ca 0.12 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 1nec n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nec s PHE 182 N -2.00 1.67 -0.02 1.61 0.08 -0.76 -1.16 117.98 117.40 1nec s PHE 182 Ca 0.00 -0.71 -0.02 0.00 0.12 0.00 0.00 56.93 56.31 1nec s PHE 182 Cb 0.00 -0.89 0.01 0.00 -0.57 0.00 0.00 43.02 41.57 1nec s PHE 182 CO 0.00 0.21 0.07 -0.08 -0.10 0.00 0.00 175.22 175.31 1nec s THR 183 N -3.14 0.00 0.30 0.64 -1.32 -0.11 -3.37 115.64 108.65 1nec s THR 183 Ca 0.25 -0.04 -0.28 0.00 -1.21 0.00 0.00 61.69 60.41 1nec s THR 183 Cb 0.02 -0.12 -0.09 0.00 -1.51 0.00 0.00 72.50 70.80 1nec s THR 183 CO 0.08 -0.02 1.02 -0.94 -2.21 0.00 0.00 174.62 172.55 1nec s SER 184 N -0.04 7.27 0.00 8.08 1.04 -1.26 -0.97 113.70 127.82 1nec s SER 184 Ca -0.01 2.07 0.00 0.00 0.48 0.00 0.00 55.95 58.50 1nec s SER 184 Cb -0.01 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1nec s SER 184 CO 0.00 -0.13 0.00 0.18 0.98 0.00 0.00 173.24 174.28 1nec n LEU 185 N 0.91 0.69 -3.98 2.42 4.77 0.14 -4.89 117.00 117.06 1nec n LEU 185 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 1nec n LEU 185 Cb 0.47 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1nec n LEU 185 CO 0.50 0.03 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.49 1nec s VAL 186 N -1.92 0.49 -0.13 4.08 1.01 -1.14 -4.81 120.40 117.99 1nec s VAL 186 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1nec s VAL 186 Cb 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1nec s VAL 186 CO 0.00 0.09 -0.09 -0.69 0.00 0.00 0.00 175.10 174.41 1nec s VAL 187 N -0.25 3.46 -0.33 2.92 1.01 -0.73 -0.81 120.40 125.68 1nec s VAL 187 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1nec s VAL 187 Cb -0.03 -2.47 0.10 0.00 0.00 0.00 0.00 36.38 33.98 1nec s VAL 187 CO -0.00 0.53 0.10 -0.69 0.00 0.00 0.00 175.10 175.04 1nec s VAL 188 N 0.11 1.22 0.33 2.92 1.01 0.11 0.30 120.40 126.40 1nec s VAL 188 Ca -0.04 -1.70 -0.28 0.00 0.00 0.00 0.00 61.98 59.96 1nec s VAL 188 Cb -0.14 -1.91 -0.10 0.00 0.00 0.00 0.00 36.38 34.23 1nec s VAL 188 CO 0.04 -0.68 1.21 -2.84 0.00 0.00 0.00 175.10 172.82 1nec s PRO 189 N 1.35 4.40 0.02 2.72 0.02 -1.24 -1.25 135.00 141.03 1nec s PRO 189 Ca 0.11 2.00 0.04 0.00 0.02 0.00 0.00 61.00 63.17 1nec s PRO 189 Cb -0.18 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 1nec s PRO 189 CO -0.19 -0.07 -0.13 0.08 -0.33 0.00 0.00 177.00 176.35 1nec s VAL 190 N -1.20 1.05 0.00 3.83 1.01 0.89 -2.62 120.40 123.36 1nec s VAL 190 Ca 0.49 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1nec s VAL 190 Cb -0.35 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1nec s VAL 190 CO 0.46 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1nec n GLY 191 N 2.19 -0.57 2.96 4.51 0.00 -0.49 -1.83 105.19 111.96 1nec n GLY 191 Ca -0.17 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 1nec n GLY 191 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nec s HIS 192 N -1.85 1.00 0.70 1.61 3.76 -1.26 -0.15 115.29 119.09 1nec s HIS 192 Ca 0.00 -0.31 -0.13 0.00 -0.15 0.00 0.00 55.06 54.47 1nec s HIS 192 Cb 0.00 -0.78 0.02 0.00 1.11 0.00 0.00 32.58 32.93 1nec s HIS 192 CO 0.00 -0.19 1.10 -3.38 -0.85 0.00 0.00 174.74 171.42 1nec s HIS 193 N 0.63 2.65 0.41 1.40 -0.00 -1.26 -0.13 115.29 118.99 1nec s HIS 193 Ca -0.10 1.54 0.04 0.00 -0.00 0.00 0.00 55.06 56.55 1nec s HIS 193 Cb -0.13 -3.10 0.04 0.00 -0.00 0.00 0.00 32.58 29.39 1nec s HIS 193 CO 0.01 -1.68 0.37 -1.13 -0.00 0.00 0.00 174.74 172.31 1nec n SER 194 N -2.84 2.11 0.29 7.38 3.41 -0.87 -4.24 113.62 118.85 1nec n SER 194 Ca 0.10 -2.32 0.19 0.00 -0.26 0.00 0.00 58.87 56.58 1nec n SER 194 Cb 0.52 -0.09 0.95 0.00 -0.26 0.00 0.00 64.21 65.33 1nec n SER 194 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1nec h VAL 195 N 0.49 0.00 -0.00 -3.33 -1.51 -1.95 -1.72 116.25 108.22 1nec h VAL 195 Ca -0.24 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1nec h VAL 195 Cb 0.92 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 1nec h VAL 195 CO 0.37 0.00 -0.18 -0.62 -1.23 0.00 0.00 177.57 175.91 1nec n GLU 196 N -2.95 0.68 -2.39 5.19 -0.58 -1.26 -4.73 120.64 114.60 1nec n GLU 196 Ca -0.01 -0.31 -0.38 0.00 -0.42 0.00 0.00 57.16 56.04 1nec n GLU 196 Cb 0.15 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 1nec n GLU 196 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1nec s ASP 197 N -2.53 5.99 0.53 1.62 2.15 -0.65 -4.76 116.67 119.02 1nec s ASP 197 Ca 0.26 -0.85 0.20 0.00 0.43 0.00 0.00 52.55 52.58 1nec s ASP 197 Cb 0.20 -2.56 1.41 0.00 -0.30 0.00 0.00 42.92 41.66 1nec s ASP 197 CO 0.51 -1.95 2.16 2.19 -0.17 0.00 0.00 175.17 177.91 1nec h PHE 198 N 10.75 0.00 0.00 -5.34 -5.15 -1.88 -2.05 116.94 113.27 1nec h PHE 198 Ca 0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 1nec h PHE 198 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.21 1nec h PHE 198 CO 1.21 0.02 0.00 -0.97 -2.00 0.00 0.00 178.31 176.57 1nec h ASN 199 N 0.00 0.00 0.18 -0.68 -1.24 -1.88 -3.25 115.58 108.71 1nec h ASN 199 Ca -0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1nec h ASN 199 Cb 0.04 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.09 1nec h ASN 199 CO 0.00 0.00 -0.07 0.00 -1.29 0.00 0.00 177.43 176.08 1nec h ALA 200 N 2.10 1.41 -0.25 1.57 0.00 -1.68 -2.92 119.26 119.50 1nec h ALA 200 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nec h ALA 200 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1nec h ALA 200 CO 0.00 0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.58 1nec n THR 201 N -3.76 0.70 -3.39 0.00 -2.24 -1.23 -4.98 114.28 99.38 1nec n THR 201 Ca -0.02 -0.85 -0.36 0.00 -2.27 0.00 0.00 64.05 60.54 1nec n THR 201 Cb 0.16 0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 69.05 1nec n THR 201 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nec s LEU 202 N -0.98 4.39 0.49 3.22 1.43 -1.10 -5.05 118.68 121.08 1nec s LEU 202 Ca 0.20 1.06 -0.24 0.00 -1.03 0.00 0.00 54.13 54.13 1nec s LEU 202 Cb 0.11 -3.07 -0.07 0.00 0.03 0.00 0.00 46.19 43.19 1nec s LEU 202 CO 0.15 0.17 1.40 -2.84 0.23 0.00 0.00 176.35 175.47 1nec s PRO 203 N -1.67 3.47 0.39 1.29 0.02 -1.26 -4.99 135.00 132.23 1nec s PRO 203 Ca 0.34 2.35 -0.25 0.00 0.02 0.00 0.00 61.00 63.46 1nec s PRO 203 Cb -0.16 -2.50 -0.09 0.00 0.02 0.00 0.00 34.50 31.77 1nec s PRO 203 CO 0.18 -0.97 1.08 0.15 -0.33 0.00 0.00 177.00 177.11 1nec s LYS 204 N -2.63 4.20 -0.04 5.54 1.02 -1.26 -5.05 119.74 121.52 1nec s LYS 204 Ca 0.65 1.60 0.03 0.00 0.02 0.00 0.00 55.97 58.28 1nec s LYS 204 Cb -0.42 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1nec s LYS 204 CO 0.53 -0.13 -0.13 0.45 -0.92 0.00 0.00 175.35 175.14 1nec s SER 205 N -1.41 1.71 -0.02 2.83 0.15 -1.26 -5.13 113.70 110.57 1nec s SER 205 Ca 0.56 -0.27 -0.12 0.00 0.70 0.00 0.00 55.95 56.82 1nec s SER 205 Cb -0.25 -0.47 0.02 0.00 -1.71 0.00 0.00 66.02 63.61 1nec s SER 205 CO 0.31 0.11 0.25 -0.13 1.20 0.00 0.00 173.24 174.98 1nec s ARG 206 N 0.13 0.56 0.68 5.44 1.81 -1.26 -5.15 118.95 121.16 1nec s ARG 206 Ca -0.04 -0.18 -0.16 0.00 -1.72 0.00 0.00 55.73 53.63 1nec s ARG 206 Cb -0.10 0.25 0.01 0.00 -0.45 0.00 0.00 34.95 34.66 1nec s ARG 206 CO 0.01 -0.14 1.23 -0.51 -0.68 0.00 0.00 175.30 175.22 1nec s LEU 207 N -1.14 3.45 0.55 2.53 1.43 -1.26 -4.97 118.68 119.28 1nec s LEU 207 Ca -0.12 2.44 -0.19 0.00 -1.03 0.00 0.00 54.13 55.23 1nec s LEU 207 Cb -0.06 -4.60 -0.06 0.00 0.03 0.00 0.00 46.19 41.51 1nec s LEU 207 CO 0.03 -2.08 1.14 -2.16 0.23 0.00 0.00 176.35 173.51 1nec s PRO 208 N -3.66 3.31 0.52 1.29 0.04 -1.26 -4.90 135.00 130.34 1nec s PRO 208 Ca 0.77 1.65 0.23 0.00 0.04 0.00 0.00 61.00 63.68 1nec s PRO 208 Cb -0.32 -2.00 1.34 0.00 0.04 0.00 0.00 34.50 33.57 1nec s PRO 208 CO 0.42 -0.90 2.03 -0.07 0.04 0.00 0.00 177.00 178.52 1nec h LEU 209 N 1.16 0.03 -2.10 -3.56 3.38 -1.97 -1.76 115.31 110.49 1nec h LEU 209 Ca -0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1nec h LEU 209 Cb 1.27 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1nec h LEU 209 CO 0.57 0.02 -0.04 0.77 0.09 0.00 0.00 178.44 179.84 1nec h SER 210 N 0.03 0.00 0.18 -0.43 4.64 -1.92 -1.25 113.55 114.81 1nec h SER 210 Ca 0.20 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.17 1nec h SER 210 Cb 0.77 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.82 1nec h SER 210 CO -0.01 0.04 -2.07 0.41 -0.87 0.00 0.00 176.83 174.34 1nec n THR 211 N -3.28 1.64 0.22 2.95 -1.04 -0.68 -4.60 114.28 109.49 1nec n THR 211 Ca -0.01 -0.70 0.11 0.00 -2.04 0.00 0.00 64.05 61.41 1nec n THR 211 Cb 0.21 -1.35 -0.05 0.00 -1.82 0.00 0.00 70.33 67.32 1nec n THR 211 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1nec n ILE 212 N -3.24 0.28 -4.95 12.58 -5.35 -1.10 -4.95 119.36 112.62 1nec n ILE 212 Ca -0.31 -0.43 -0.30 0.00 -0.27 0.00 0.00 62.75 61.44 1nec n ILE 212 Cb 1.05 -0.04 -0.15 0.00 -1.74 0.00 0.00 39.64 38.76 1nec n ILE 212 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1nec s VAL 213 N -3.36 2.09 -0.17 7.28 1.01 -0.49 -5.07 120.40 121.70 1nec s VAL 213 Ca -0.02 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 60.64 1nec s VAL 213 Cb 0.13 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1nec s VAL 213 CO 0.83 0.39 -0.15 -0.89 0.00 0.00 0.00 175.10 175.28 1nec s THR 214 N -0.77 1.73 -0.23 3.92 2.01 -1.26 -4.78 115.64 116.26 1nec s THR 214 Ca 0.11 -0.80 -0.16 0.00 0.31 0.00 0.00 61.69 61.15 1nec s THR 214 Cb -0.10 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1nec s THR 214 CO 0.02 0.42 0.42 -1.61 -0.69 0.00 0.00 174.62 173.17 1nec s GLU 215 N 1.41 4.12 0.00 4.92 2.02 -1.26 -5.26 118.70 124.65 1nec s GLU 215 Ca 0.04 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.22 1nec s GLU 215 Cb -0.14 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.51 1nec s GLU 215 CO -0.11 -0.15 0.13 0.00 0.02 0.00 0.00 175.26 175.15