#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n94 s LEU 23 N 0.00 4.36 0.17 1.53 1.43 -1.26 -4.85 118.68 120.05 1n94 s LEU 23 Ca 0.00 2.03 -0.28 0.00 -1.03 0.00 0.00 54.13 54.85 1n94 s LEU 23 Cb 0.00 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 1n94 s LEU 23 CO 0.00 -0.51 1.49 0.00 0.23 0.00 0.00 176.35 177.56 1n94 n TYR 24 N 4.13 -0.35 -0.31 0.29 9.36 -1.26 0.78 117.16 129.80 1n94 n TYR 24 Ca 0.10 1.21 0.31 0.00 3.32 0.00 0.00 57.90 62.83 1n94 n TYR 24 Cb 0.46 -0.63 0.68 0.00 -0.63 0.00 0.00 39.34 39.22 1n94 n TYR 24 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 1n94 h SER 25 N 0.00 0.13 0.14 2.98 0.02 -1.92 -1.72 113.55 113.18 1n94 h SER 25 Ca 0.19 0.03 -0.24 0.00 -0.84 0.00 0.00 61.79 60.92 1n94 h SER 25 Cb 0.43 0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.98 1n94 h SER 25 CO -0.92 0.02 -1.16 -0.07 -1.14 0.00 0.00 176.83 173.56 1n94 h LEU 26 N 0.12 0.46 -0.92 5.07 3.38 -0.01 -3.48 115.31 119.93 1n94 h LEU 26 Ca 0.56 -0.90 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1n94 h LEU 26 Cb 1.98 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 42.60 1n94 h LEU 26 CO -0.10 1.53 -0.09 0.54 0.09 0.00 0.00 178.44 180.41 1n94 n ARG 27 N -3.99 0.00 0.31 1.13 1.74 -0.38 -4.81 116.66 110.67 1n94 n ARG 27 Ca -0.19 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.76 1n94 n ARG 27 Cb 0.89 -0.10 -0.06 0.00 -1.02 0.00 0.00 32.46 32.17 1n94 n ARG 27 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1n94 h PRO 28 N 0.04 -0.76 0.00 5.56 0.11 -1.93 -2.96 132.00 132.05 1n94 h PRO 28 Ca -0.04 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1n94 h PRO 28 Cb 0.15 0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1n94 h PRO 28 CO 0.05 -0.51 0.00 -0.85 -0.21 0.00 0.00 178.00 176.48 1n94 n GLU 29 N -4.14 0.09 0.15 1.05 -0.00 -1.26 -1.71 120.64 114.82 1n94 n GLU 29 Ca -0.10 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.19 1n94 n GLU 29 Cb 0.31 -1.15 0.33 0.00 -0.00 0.00 0.00 31.44 30.93 1n94 n GLU 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1n94 h HIS 30 N 0.00 0.00 -0.22 -1.84 2.76 -1.83 -3.14 115.15 110.88 1n94 h HIS 30 Ca 0.00 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.03 1n94 h HIS 30 Cb 0.00 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 28.89 1n94 h HIS 30 CO 0.00 0.00 0.17 0.00 -1.30 0.00 0.00 177.93 176.80 1n94 n ALA 31 N -1.90 3.91 -0.02 5.26 0.00 -0.69 -2.38 120.51 124.68 1n94 n ALA 31 Ca 0.05 -0.72 -0.00 0.00 0.00 0.00 0.00 53.44 52.77 1n94 n ALA 31 Cb 0.46 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 1n94 n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n94 n ARG 32 N 0.58 1.80 -0.22 0.00 5.12 -1.19 -4.49 116.66 118.27 1n94 n ARG 32 Ca 0.14 -0.03 0.01 0.00 -1.93 0.00 0.00 57.85 56.03 1n94 n ARG 32 Cb 0.64 -1.17 0.09 0.00 -1.16 0.00 0.00 32.46 30.85 1n94 n ARG 32 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1n94 n GLU 33 N -2.05 1.83 -1.15 5.56 -0.58 -1.00 -4.86 120.64 118.39 1n94 n GLU 33 Ca -0.07 -0.73 -0.20 0.00 -0.42 0.00 0.00 57.16 55.74 1n94 n GLU 33 Cb 0.50 -1.63 0.15 0.00 -0.57 0.00 0.00 31.44 29.90 1n94 n GLU 33 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1n94 n ARG 34 N 0.14 -1.27 -3.21 3.49 5.12 -1.26 -3.98 116.66 115.68 1n94 n ARG 34 Ca 0.07 -1.34 -0.39 0.00 -1.93 0.00 0.00 57.85 54.26 1n94 n ARG 34 Cb 0.51 -0.97 -0.06 0.00 -1.16 0.00 0.00 32.46 30.78 1n94 n ARG 34 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1n94 s LEU 35 N 0.00 4.35 -0.30 0.55 2.96 -1.26 -5.03 118.68 119.96 1n94 s LEU 35 Ca 0.50 1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 55.40 1n94 s LEU 35 Cb -0.02 -2.88 0.01 0.00 0.50 0.00 0.00 46.19 43.80 1n94 s LEU 35 CO 0.36 0.02 0.08 -1.10 -1.32 0.00 0.00 176.35 174.40 1n94 s GLN 36 N 0.28 3.10 0.00 1.98 -0.21 -1.26 -4.95 119.66 118.60 1n94 s GLN 36 Ca 0.31 -0.85 0.19 0.00 0.02 0.00 0.00 55.36 55.02 1n94 s GLN 36 Cb -0.17 -3.38 0.52 0.00 1.00 0.00 0.00 33.01 30.97 1n94 s GLN 36 CO 0.15 -0.44 1.43 -0.40 -2.12 0.00 0.00 175.29 173.90 1n94 n ASP 37 N 4.87 2.74 -3.08 5.90 5.75 -1.26 -4.91 116.55 126.57 1n94 n ASP 37 Ca -0.14 -1.94 -0.23 0.00 -0.01 0.00 0.00 54.79 52.47 1n94 n ASP 37 Cb 0.48 -0.29 0.04 0.00 -1.03 0.00 0.00 41.12 40.32 1n94 n ASP 37 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1n94 n ASP 38 N 1.00 -6.13 -1.35 -1.12 8.00 -1.26 -1.22 116.55 114.47 1n94 n ASP 38 Ca 0.18 -0.31 -0.11 0.00 0.71 0.00 0.00 54.79 55.25 1n94 n ASP 38 Cb 0.46 -4.95 -0.05 0.00 -0.02 0.00 0.00 41.12 36.57 1n94 n ASP 38 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1n94 n SER 39 N -2.57 -2.94 -4.73 -2.24 7.64 -1.26 -4.91 113.62 102.61 1n94 n SER 39 Ca -0.10 0.27 -0.24 0.00 1.01 0.00 0.00 58.87 59.82 1n94 n SER 39 Cb 0.62 -2.83 -0.07 0.00 -1.01 0.00 0.00 64.21 60.92 1n94 n SER 39 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1n94 s VAL 40 N -1.96 2.70 -0.18 0.44 1.01 -0.36 -5.14 120.40 116.91 1n94 s VAL 40 Ca 0.00 -1.70 -0.06 0.00 0.00 0.00 0.00 61.98 60.22 1n94 s VAL 40 Cb 0.00 -2.97 0.08 0.00 0.00 0.00 0.00 36.38 33.50 1n94 s VAL 40 CO 0.00 -0.11 0.38 -1.61 0.00 0.00 0.00 175.10 173.77 1n94 s GLU 41 N -3.87 0.28 -0.01 2.72 2.02 -1.26 -4.81 118.70 113.77 1n94 s GLU 41 Ca 0.39 0.95 -0.02 0.00 0.02 0.00 0.00 54.97 56.32 1n94 s GLU 41 Cb -0.00 0.23 -0.00 0.00 0.10 0.00 0.00 34.13 34.46 1n94 s GLU 41 CO 0.23 -0.25 0.04 0.95 0.02 0.00 0.00 175.26 176.25 1n94 s THR 42 N 2.49 0.03 0.06 3.63 -4.23 -1.26 -5.00 115.64 111.36 1n94 s THR 42 Ca -0.02 -0.24 -0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1n94 s THR 42 Cb -0.12 -0.15 0.09 0.00 1.34 0.00 0.00 72.50 73.66 1n94 s THR 42 CO -0.12 -0.13 0.32 0.52 -0.54 0.00 0.00 174.62 174.67 1n94 n VAL 43 N 2.62 -0.09 -0.10 2.29 0.31 -1.26 0.33 118.33 122.44 1n94 n VAL 43 Ca -0.15 0.45 -0.06 0.00 -0.01 0.00 0.00 64.34 64.57 1n94 n VAL 43 Cb 0.58 -0.65 0.01 0.00 -0.91 0.00 0.00 33.84 32.87 1n94 n VAL 43 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1n94 h THR 44 N 0.00 0.80 0.27 2.52 2.02 -1.96 -0.40 112.91 116.17 1n94 h THR 44 Ca 0.12 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1n94 h THR 44 Cb 0.22 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1n94 h THR 44 CO -0.20 0.03 -0.35 -1.28 0.37 0.00 0.00 175.52 174.10 1n94 h SER 45 N 0.16 -0.96 -0.09 4.18 0.87 0.51 -1.00 113.55 117.23 1n94 h SER 45 Ca 0.17 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.86 1n94 h SER 45 Cb 0.20 0.34 -0.06 0.00 -0.44 0.00 0.00 62.40 62.43 1n94 h SER 45 CO -0.23 -0.47 -0.37 0.40 -0.53 0.00 0.00 176.83 175.62 1n94 h ILE 46 N -0.67 0.21 0.13 2.23 2.04 -1.21 0.19 117.51 120.43 1n94 h ILE 46 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1n94 h ILE 46 Cb 0.63 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1n94 h ILE 46 CO -0.11 0.00 -0.24 -0.33 0.00 0.00 0.00 178.15 177.47 1n94 h GLU 47 N -0.47 -0.44 -0.81 2.37 4.39 -1.00 1.00 114.58 119.62 1n94 h GLU 47 Ca 0.08 0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.96 1n94 h GLU 47 Cb 0.60 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.29 1n94 h GLU 47 CO -0.35 -0.29 0.53 0.37 -1.16 0.00 0.00 179.01 178.11 1n94 h GLN 48 N -0.45 0.47 0.66 2.33 5.75 -0.91 -1.44 115.11 121.51 1n94 h GLN 48 Ca 0.03 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1n94 h GLN 48 Cb 0.47 -0.11 0.01 0.00 1.07 0.00 0.00 27.48 28.92 1n94 h GLN 48 CO -0.13 0.31 -0.32 0.00 -2.65 0.00 0.00 178.83 176.05 1n94 h ALA 49 N 1.63 -0.88 -0.92 3.38 0.00 0.13 -1.27 119.26 121.33 1n94 h ALA 49 Ca 0.40 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.22 1n94 h ALA 49 Cb 0.85 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1n94 h ALA 49 CO -0.15 -0.97 0.55 0.87 0.00 0.00 0.00 179.25 179.55 1n94 h LYS 50 N -0.93 0.86 -0.04 0.00 1.57 -0.04 -1.99 116.57 116.00 1n94 h LYS 50 Ca -0.09 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1n94 h LYS 50 Cb 0.69 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1n94 h LYS 50 CO 0.15 0.57 0.01 0.28 -0.57 0.00 0.00 179.45 179.89 1n94 h VAL 51 N 0.89 1.18 -0.58 0.50 2.07 -1.16 -1.82 116.25 117.32 1n94 h VAL 51 Ca 0.45 -0.54 0.17 0.00 0.82 0.00 0.00 66.70 67.60 1n94 h VAL 51 Cb 0.44 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1n94 h VAL 51 CO -0.26 0.15 0.46 -0.33 0.02 0.00 0.00 177.57 177.60 1n94 h GLU 52 N -0.14 0.00 0.00 1.57 5.08 -0.54 0.80 114.58 121.36 1n94 h GLU 52 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1n94 h GLU 52 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1n94 h GLU 52 CO -0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1n94 n GLU 53 N -4.17 0.00 -0.32 2.33 1.02 -0.71 -1.39 120.64 117.40 1n94 n GLU 53 Ca 0.11 0.37 0.29 0.00 -0.02 0.00 0.00 57.16 57.91 1n94 n GLU 53 Cb 0.69 -1.24 0.63 0.00 -0.02 0.00 0.00 31.44 31.50 1n94 n GLU 53 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1n94 h LYS 54 N 0.00 0.19 -0.31 3.49 1.57 -1.15 0.36 116.57 120.72 1n94 h LYS 54 Ca 0.00 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 1n94 h LYS 54 Cb 0.00 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1n94 h LYS 54 CO 0.00 0.13 -0.47 0.82 -0.57 0.00 0.00 179.45 179.36 1n94 h ILE 55 N 0.20 1.28 0.60 1.86 1.08 -0.88 -2.85 117.51 118.81 1n94 h ILE 55 Ca 0.58 -1.65 -0.03 0.00 -0.39 0.00 0.00 64.86 63.37 1n94 h ILE 55 Cb 1.86 1.54 0.01 0.00 -3.07 0.00 0.00 36.82 37.15 1n94 h ILE 55 CO -0.17 0.54 -0.29 -0.61 -0.69 0.00 0.00 178.15 176.93 1n94 h GLN 56 N 0.66 -0.78 -1.05 2.37 5.75 0.87 -2.74 115.11 120.18 1n94 h GLN 56 Ca 0.04 0.05 0.40 0.00 -0.15 0.00 0.00 58.65 58.99 1n94 h GLN 56 Cb 1.05 0.18 -0.16 0.00 1.07 0.00 0.00 27.48 29.61 1n94 h GLN 56 CO 0.10 -0.47 0.60 1.49 -2.65 0.00 0.00 178.83 177.90 1n94 h GLU 57 N -1.00 0.09 0.65 1.69 4.81 -1.09 0.42 114.58 120.15 1n94 h GLU 57 Ca -0.08 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1n94 h GLU 57 Cb 0.67 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.04 1n94 h GLU 57 CO 0.14 0.06 -0.31 0.28 -0.73 0.00 0.00 179.01 178.44 1n94 h VAL 58 N 0.09 0.25 0.21 0.32 2.07 -1.30 -1.12 116.25 116.77 1n94 h VAL 58 Ca 0.82 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 68.10 1n94 h VAL 58 Cb 2.17 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1n94 h VAL 58 CO -0.67 0.02 -0.26 -0.26 0.02 0.00 0.00 177.57 176.42 1n94 h PHE 59 N -1.06 -0.70 -0.30 1.57 0.04 -0.02 -1.66 116.94 114.81 1n94 h PHE 59 Ca -0.09 0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.78 1n94 h PHE 59 Cb 0.71 0.28 -0.01 0.00 2.20 0.00 0.00 35.95 39.13 1n94 h PHE 59 CO -0.00 -0.37 0.27 0.77 -0.60 0.00 0.00 178.31 178.38 1n94 h SER 60 N -0.52 0.00 -0.03 2.17 0.02 -0.80 -3.35 113.55 111.03 1n94 h SER 60 Ca 0.01 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.40 1n94 h SER 60 Cb 0.51 0.00 0.09 0.00 0.14 0.00 0.00 62.40 63.14 1n94 h SER 60 CO -0.09 0.00 1.60 -0.24 -1.14 0.00 0.00 176.83 176.96 1n94 n SER 61 N -3.99 1.68 0.00 3.07 2.88 -0.42 -2.77 113.62 114.06 1n94 n SER 61 Ca 0.04 -2.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.01 1n94 n SER 61 Cb 0.43 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1n94 n SER 61 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1n94 n TYR 62 N 9.47 0.00 -2.84 0.66 4.01 -1.26 -5.00 117.16 122.20 1n94 n TYR 62 Ca 0.47 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.78 1n94 n TYR 62 Cb 0.42 0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 39.50 1n94 n TYR 62 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1n94 s LYS 63 N 0.00 3.77 0.00 -0.72 1.02 -1.12 -3.19 119.74 119.51 1n94 s LYS 63 Ca 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 55.97 54.08 1n94 s LYS 63 Cb 0.00 -5.09 0.00 0.00 -0.52 0.00 0.00 37.83 32.22 1n94 s LYS 63 CO 0.00 -1.89 0.00 1.97 -0.92 0.00 0.00 175.35 174.51 1n94 n PHE 64 N 6.85 0.00 -3.72 3.18 1.16 -1.26 -5.11 117.46 118.56 1n94 n PHE 64 Ca 0.31 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.76 1n94 n PHE 64 Cb 0.47 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.25 1n94 n PHE 64 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1n94 s ASN 65 N 0.00 -0.45 -0.37 5.98 4.22 -1.19 -5.08 114.94 118.04 1n94 s ASN 65 Ca 0.00 0.86 0.04 0.00 -2.14 0.00 0.00 52.86 51.61 1n94 s ASN 65 Cb 0.00 0.87 0.31 0.00 1.28 0.00 0.00 41.25 43.71 1n94 s ASN 65 CO 0.00 -0.16 1.25 1.57 -2.04 0.00 0.00 177.10 177.72 1n94 n HIS 66 N 2.79 -1.33 -0.02 1.54 -0.00 -1.26 -4.65 115.22 112.29 1n94 n HIS 66 Ca -0.13 -1.17 -0.01 0.00 0.46 0.00 0.00 57.72 56.86 1n94 n HIS 66 Cb 0.57 1.31 -0.00 0.00 -0.12 0.00 0.00 29.99 31.75 1n94 n HIS 66 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1n94 n LEU 67 N 0.77 0.40 -3.89 0.27 7.94 -1.26 -4.77 117.00 116.45 1n94 n LEU 67 Ca -0.00 0.22 -0.29 0.00 -1.11 0.00 0.00 56.01 54.83 1n94 n LEU 67 Cb 0.72 -0.57 -0.11 0.00 0.53 0.00 0.00 43.42 44.00 1n94 n LEU 67 CO -0.06 -0.48 0.04 0.52 -1.11 0.00 0.00 177.39 176.31 1n94 n VAL 68 N -2.83 1.95 -1.26 1.96 0.31 -1.26 -5.10 118.33 112.10 1n94 n VAL 68 Ca -0.02 -4.95 -0.37 0.00 -0.01 0.00 0.00 64.34 58.99 1n94 n VAL 68 Cb 0.08 -2.21 0.05 0.00 -0.91 0.00 0.00 33.84 30.85 1n94 n VAL 68 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1n94 n PRO 69 N 1.90 0.23 0.00 5.55 -0.02 -1.26 -4.73 135.00 136.67 1n94 n PRO 69 Ca 0.21 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1n94 n PRO 69 Cb 0.36 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1n94 n PRO 69 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n94 n ARG 70 N 0.28 0.31 -0.61 -0.52 3.00 -1.26 -4.23 116.66 113.63 1n94 n ARG 70 Ca 0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.79 1n94 n ARG 70 Cb 0.49 -1.23 -0.06 0.00 0.00 0.00 0.00 32.46 31.67 1n94 n ARG 70 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1n94 n LEU 71 N 0.55 3.68 -4.54 0.55 7.99 -1.26 -4.68 117.00 119.29 1n94 n LEU 71 Ca 0.00 -2.34 -0.24 0.00 -0.01 0.00 0.00 56.01 53.43 1n94 n LEU 71 Cb 0.11 -0.90 -0.09 0.00 -0.11 0.00 0.00 43.42 42.43 1n94 n LEU 71 CO 0.00 0.61 -0.41 -0.69 -1.51 0.00 0.00 177.39 175.39 1n94 s VAL 72 N 2.65 2.82 -0.28 4.08 1.01 -1.26 -2.20 120.40 127.23 1n94 s VAL 72 Ca 0.37 -2.20 0.03 0.00 0.00 0.00 0.00 61.98 60.17 1n94 s VAL 72 Cb 0.14 -2.53 0.07 0.00 0.00 0.00 0.00 36.38 34.05 1n94 s VAL 72 CO -0.01 -0.37 -0.08 -0.22 0.00 0.00 0.00 175.10 174.41 1n94 s LEU 73 N -3.58 3.69 0.00 3.92 2.96 -1.26 -5.01 118.68 119.40 1n94 s LEU 73 Ca 0.31 -1.51 -0.11 0.00 -0.22 0.00 0.00 54.13 52.60 1n94 s LEU 73 Cb -0.05 -1.58 -0.13 0.00 0.50 0.00 0.00 46.19 44.93 1n94 s LEU 73 CO 0.17 -0.23 0.89 0.00 -1.32 0.00 0.00 176.35 175.86 1n94 n GLN 74 N 4.42 0.00 0.02 1.98 1.13 -1.26 -4.67 117.38 118.99 1n94 n GLN 74 Ca -0.11 -0.43 -0.10 0.00 -1.94 0.00 0.00 57.00 54.41 1n94 n GLN 74 Cb 0.42 -1.69 -0.07 0.00 0.11 0.00 0.00 30.24 29.02 1n94 n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n94 h ARG 75 N 7.91 -0.41 -0.50 -1.09 2.47 -1.95 0.85 114.38 121.66 1n94 h ARG 75 Ca 0.09 0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.71 1n94 h ARG 75 Cb 0.42 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1n94 h ARG 75 CO 1.05 -0.27 -0.18 1.49 0.56 0.00 0.00 179.97 182.62 1n94 h GLU 76 N -0.42 1.00 -0.86 0.04 4.57 -1.99 -2.65 114.58 114.26 1n94 h GLU 76 Ca 0.01 -0.41 -0.02 0.00 -1.18 0.00 0.00 59.36 57.77 1n94 h GLU 76 Cb 0.47 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 1n94 h GLU 76 CO -0.27 1.09 0.48 0.87 -1.18 0.00 0.00 179.01 180.00 1n94 h LYS 77 N 0.86 1.19 0.00 1.92 1.79 -1.85 -1.60 116.57 118.89 1n94 h LYS 77 Ca 0.12 -0.13 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 1n94 h LYS 77 Cb 0.75 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1n94 h LYS 77 CO 0.06 0.87 -0.44 0.45 -1.08 0.00 0.00 179.45 179.31 1n94 h HIS 78 N 1.20 0.00 -0.32 -1.35 3.86 -0.86 -3.26 115.15 114.42 1n94 h HIS 78 Ca 0.30 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1n94 h HIS 78 Cb 0.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1n94 h HIS 78 CO 0.01 0.44 0.20 0.35 0.86 0.00 0.00 177.93 179.78 1n94 h PHE 79 N 0.00 0.41 0.19 2.45 3.57 -0.94 0.66 116.94 123.29 1n94 h PHE 79 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1n94 h PHE 79 Cb 1.22 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1n94 h PHE 79 CO 0.00 0.29 -0.19 1.25 -2.23 0.00 0.00 178.31 177.43 1n94 h HIS 80 N 0.41 -0.49 -0.72 0.41 2.76 -1.44 1.58 115.15 117.66 1n94 h HIS 80 Ca 0.11 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.44 1n94 h HIS 80 Cb -0.01 0.19 -0.11 0.00 1.55 0.00 0.00 27.41 29.03 1n94 h HIS 80 CO -0.04 -0.28 0.10 -0.92 -1.30 0.00 0.00 177.93 175.49 1n94 h TYR 81 N -0.41 0.14 0.04 5.26 3.20 -1.55 0.33 116.97 123.98 1n94 h TYR 81 Ca -0.00 0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 1n94 h TYR 81 Cb 0.38 0.05 0.01 0.00 1.54 0.00 0.00 36.73 38.71 1n94 h TYR 81 CO -0.14 -0.14 -0.41 -0.07 -1.64 0.00 0.00 178.16 175.75 1n94 h LEU 82 N 0.20 0.30 -0.15 2.82 3.38 -0.36 -0.76 115.31 120.73 1n94 h LEU 82 Ca 0.40 -0.86 0.04 0.00 0.09 0.00 0.00 57.88 57.54 1n94 h LEU 82 Cb 0.68 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1n94 h LEU 82 CO -0.55 1.13 -0.07 0.50 0.09 0.00 0.00 178.44 179.53 1n94 h LYS 83 N -0.50 -0.06 0.42 1.13 3.64 0.26 -1.65 116.57 119.81 1n94 h LYS 83 Ca -0.06 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1n94 h LYS 83 Cb 1.23 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1n94 h LYS 83 CO 0.08 -0.04 -0.20 -0.09 -2.27 0.00 0.00 179.45 176.93 1n94 h ARG 84 N -0.06 -0.54 -1.04 1.90 2.43 -0.46 -3.20 114.38 113.41 1n94 h ARG 84 Ca 0.08 0.04 0.30 0.00 -0.81 0.00 0.00 59.98 59.59 1n94 h ARG 84 Cb 0.18 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1n94 h ARG 84 CO -0.19 -0.36 0.94 0.78 -1.51 0.00 0.00 179.97 179.62 1n94 h GLY 85 N -1.13 0.00 2.00 2.80 0.00 -1.18 0.48 103.07 106.04 1n94 h GLY 85 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1n94 h GLY 85 CO 0.09 0.00 -0.14 -2.00 0.00 0.00 0.00 176.54 174.50 1n94 h LEU 86 N 0.00 0.00 0.00 3.11 5.85 -1.28 -3.20 115.31 119.79 1n94 h LEU 86 Ca 0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.22 1n94 h LEU 86 Cb 2.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.39 1n94 h LEU 86 CO -0.01 0.14 -1.65 -1.14 -0.34 0.00 0.00 178.44 175.44 1n94 n ARG 87 N -3.46 0.63 -3.61 1.25 3.00 0.17 -5.02 116.66 109.62 1n94 n ARG 87 Ca -0.01 -0.14 -0.10 0.00 -0.00 0.00 0.00 57.85 57.60 1n94 n ARG 87 Cb 0.30 -1.38 -0.06 0.00 0.00 0.00 0.00 32.46 31.31 1n94 n ARG 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1n94 s GLN 88 N -3.09 0.58 -0.01 -0.14 0.74 -1.05 -5.15 119.66 111.54 1n94 s GLN 88 Ca -0.05 0.47 0.02 0.00 0.05 0.00 0.00 55.36 55.85 1n94 s GLN 88 Cb 0.11 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.50 1n94 s GLN 88 CO 0.69 -0.12 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.74 1n94 s LEU 89 N -0.25 1.86 1.15 3.68 1.43 -1.26 -4.15 118.68 121.15 1n94 s LEU 89 Ca 0.01 -0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 52.85 1n94 s LEU 89 Cb -0.03 -0.40 0.28 0.00 0.03 0.00 0.00 46.19 46.07 1n94 s LEU 89 CO -0.02 0.06 1.04 0.42 0.23 0.00 0.00 176.35 178.07 1n94 s THR 90 N 0.07 2.01 -0.12 5.49 -4.23 -1.26 -4.80 115.64 112.80 1n94 s THR 90 Ca -0.01 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.70 1n94 s THR 90 Cb -0.06 -2.03 0.19 0.00 1.34 0.00 0.00 72.50 71.95 1n94 s THR 90 CO -0.00 -0.00 1.57 -0.90 -0.54 0.00 0.00 174.62 174.74 1n94 n ASP 91 N -4.92 0.51 -0.24 3.99 5.75 -1.26 -0.95 116.55 119.42 1n94 n ASP 91 Ca 0.04 0.71 -0.06 0.00 -0.01 0.00 0.00 54.79 55.47 1n94 n ASP 91 Cb 0.54 -0.74 0.05 0.00 -1.03 0.00 0.00 41.12 39.93 1n94 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n94 h ALA 92 N 1.77 0.86 0.00 2.12 0.00 -2.06 -1.60 119.26 120.36 1n94 h ALA 92 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1n94 h ALA 92 Cb 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1n94 h ALA 92 CO 0.00 0.35 0.00 0.66 0.00 0.00 0.00 179.25 180.26 1n94 n TYR 93 N -4.55 0.00 0.34 0.00 4.02 -0.13 -3.61 117.16 113.23 1n94 n TYR 93 Ca 0.05 0.00 0.21 0.00 -0.01 0.00 0.00 57.90 58.15 1n94 n TYR 93 Cb 0.07 -0.00 1.12 0.00 -0.02 0.00 0.00 39.34 40.50 1n94 n TYR 93 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1n94 h GLU 94 N 0.03 0.00 0.00 -0.72 5.08 -1.46 -0.20 114.58 117.30 1n94 h GLU 94 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n94 h GLU 94 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1n94 h GLU 94 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1n94 n LEU 96 N -3.05 2.72 -0.30 0.00 4.77 -0.10 -4.43 117.00 116.61 1n94 n LEU 96 Ca 0.04 -1.16 0.27 0.00 -0.03 0.00 0.00 56.01 55.13 1n94 n LEU 96 Cb 0.51 -0.19 0.50 0.00 -2.33 0.00 0.00 43.42 41.91 1n94 n LEU 96 CO 0.33 0.58 0.94 -0.67 -1.33 0.00 0.00 177.39 177.25 1n94 n ASP 97 N 1.02 0.25 -3.48 -1.43 2.03 -1.08 -1.24 116.55 112.61 1n94 n ASP 97 Ca 0.18 1.56 -0.36 0.00 0.52 0.00 0.00 54.79 56.69 1n94 n ASP 97 Cb 0.49 -0.72 -0.01 0.00 -0.72 0.00 0.00 41.12 40.16 1n94 n ASP 97 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n94 n ALA 98 N -2.47 5.33 0.00 -1.67 0.00 -1.26 -4.06 120.51 116.38 1n94 n ALA 98 Ca 0.33 -4.69 0.00 0.00 0.00 0.00 0.00 53.44 49.08 1n94 n ALA 98 Cb 1.12 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1n94 n ALA 98 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n94 n SER 99 N 0.20 0.00 -0.07 0.00 7.64 -0.38 -4.63 113.62 116.38 1n94 n SER 99 Ca 0.37 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.32 1n94 n SER 99 Cb 0.32 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 63.94 1n94 n SER 99 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1n94 h ARG 100 N 0.00 0.57 -0.26 1.43 3.08 0.49 -1.46 114.38 118.23 1n94 h ARG 100 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1n94 h ARG 100 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1n94 h ARG 100 CO 0.00 0.38 0.05 -1.35 -1.07 0.00 0.00 179.97 177.98 1n94 h PRO 101 N 0.59 0.36 -0.19 0.04 0.11 -1.82 -1.95 132.00 129.14 1n94 h PRO 101 Ca 0.23 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1n94 h PRO 101 Cb 0.16 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1n94 h PRO 101 CO -0.06 0.35 0.12 -1.49 -0.21 0.00 0.00 178.00 176.71 1n94 h TRP 102 N 0.36 0.23 0.00 0.65 4.06 -1.56 -0.13 115.95 119.56 1n94 h TRP 102 Ca 0.09 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.04 1n94 h TRP 102 Cb 0.16 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.25 1n94 h TRP 102 CO 0.00 0.14 0.44 -0.07 -3.56 0.00 0.00 178.44 175.39 1n94 h LEU 103 N 0.25 0.00 0.00 -4.49 3.38 -1.31 0.44 115.31 113.58 1n94 h LEU 103 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1n94 h LEU 103 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1n94 h LEU 103 CO -0.02 0.00 -0.41 0.00 0.09 0.00 0.00 178.44 178.10 1n94 h TYR 105 N -1.00 0.50 0.07 0.00 3.20 0.12 0.49 116.97 120.35 1n94 h TYR 105 Ca -0.08 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1n94 h TYR 105 Cb 0.70 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.87 1n94 h TYR 105 CO 0.05 0.02 -0.04 -1.49 -1.64 0.00 0.00 178.16 175.07 1n94 h TRP 106 N 0.41 -0.09 0.50 -3.82 6.55 -1.01 -1.41 115.95 117.08 1n94 h TRP 106 Ca 0.44 -0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.26 1n94 h TRP 106 Cb 0.71 0.03 -0.00 0.00 -0.86 0.00 0.00 29.16 29.04 1n94 h TRP 106 CO -0.18 0.07 -0.31 0.82 -1.05 0.00 0.00 178.44 177.80 1n94 h ILE 107 N -0.24 0.00 -0.81 1.49 2.04 -1.56 0.39 117.51 118.81 1n94 h ILE 107 Ca -0.01 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.05 1n94 h ILE 107 Cb 0.21 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.16 1n94 h ILE 107 CO 0.02 0.00 0.17 -0.07 0.00 0.00 0.00 178.15 178.27 1n94 h LEU 108 N -0.76 -0.07 0.00 1.44 3.38 -0.97 0.43 115.31 118.76 1n94 h LEU 108 Ca -0.07 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1n94 h LEU 108 Cb 0.61 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1n94 h LEU 108 CO 0.07 -0.12 0.00 1.57 0.09 0.00 0.00 178.44 180.05 1n94 n HIS 109 N -5.23 0.00 -0.16 1.13 -0.00 -0.53 -2.31 115.22 108.12 1n94 n HIS 109 Ca 0.18 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.45 1n94 n HIS 109 Cb 0.57 -0.34 0.18 0.00 -0.12 0.00 0.00 29.99 30.28 1n94 n HIS 109 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1n94 n SER 110 N -1.52 0.02 0.46 0.26 7.64 0.13 0.20 113.62 120.82 1n94 n SER 110 Ca 0.00 0.79 -0.19 0.00 1.01 0.00 0.00 58.87 60.48 1n94 n SER 110 Cb 0.00 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 62.79 1n94 n SER 110 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1n94 h LEU 111 N 0.00 -1.05 -0.87 -3.43 3.38 -0.84 -1.14 115.31 111.36 1n94 h LEU 111 Ca 0.32 0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.56 1n94 h LEU 111 Cb 0.74 0.28 -0.15 0.00 0.09 0.00 0.00 40.66 41.62 1n94 h LEU 111 CO -0.41 -0.73 0.13 1.05 0.09 0.00 0.00 178.44 178.57 1n94 h GLU 112 N -1.19 0.13 0.41 1.13 4.11 0.27 2.57 114.58 122.01 1n94 h GLU 112 Ca -0.12 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 1n94 h GLU 112 Cb 0.92 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1n94 h GLU 112 CO 0.18 0.09 -0.47 -0.07 0.07 0.00 0.00 179.01 178.81 1n94 h LEU 113 N 0.13 -1.31 -1.75 3.06 3.38 -1.05 -1.47 115.31 116.30 1n94 h LEU 113 Ca 0.52 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.59 1n94 h LEU 113 Cb 1.04 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1n94 h LEU 113 CO -0.71 -0.61 -0.02 -0.07 0.09 0.00 0.00 178.44 177.11 1n94 h LEU 114 N -0.91 0.11 -2.37 1.67 3.38 0.87 -0.76 115.31 117.30 1n94 h LEU 114 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1n94 h LEU 114 Cb 0.81 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1n94 h LEU 114 CO -0.10 0.16 0.00 -0.67 0.09 0.00 0.00 178.44 177.92 1n94 n ASP 115 N -4.43 -1.58 -3.89 -0.43 2.03 0.83 -4.86 116.55 104.22 1n94 n ASP 115 Ca -0.02 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.04 1n94 n ASP 115 Cb 0.15 -0.79 -0.17 0.00 -0.72 0.00 0.00 41.12 39.59 1n94 n ASP 115 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1n94 s GLU 116 N -2.13 1.35 0.31 -0.67 0.41 -1.21 -5.00 118.70 111.75 1n94 s GLU 116 Ca 0.00 -0.19 -0.29 0.00 -0.41 0.00 0.00 54.97 54.07 1n94 s GLU 116 Cb 0.00 -1.43 -0.11 0.00 -1.78 0.00 0.00 34.13 30.81 1n94 s GLU 116 CO 0.00 -0.24 1.51 -1.25 -0.49 0.00 0.00 175.26 174.78 1n94 s PRO 117 N 1.65 4.17 -0.26 0.39 0.04 -1.26 -4.53 135.00 135.18 1n94 s PRO 117 Ca 0.03 2.49 -0.25 0.00 0.04 0.00 0.00 61.00 63.32 1n94 s PRO 117 Cb -0.13 -3.03 -0.00 0.00 0.04 0.00 0.00 34.50 31.38 1n94 s PRO 117 CO -0.06 -0.53 0.84 0.42 0.04 0.00 0.00 177.00 177.71 1n94 s ILE 118 N -0.43 4.80 -0.25 0.56 1.09 -1.26 -4.97 121.20 120.73 1n94 s ILE 118 Ca 0.58 1.49 -0.40 0.00 -1.10 0.00 0.00 60.65 61.22 1n94 s ILE 118 Cb -0.46 -4.15 -0.16 0.00 -1.06 0.00 0.00 42.46 36.63 1n94 s ILE 118 CO 0.52 -0.15 1.68 -2.65 -0.10 0.00 0.00 174.94 174.24 1n94 n PRO 119 N 6.12 1.06 0.00 2.79 -0.02 -1.26 -4.80 135.00 138.90 1n94 n PRO 119 Ca 0.06 0.39 0.01 0.00 -2.02 0.00 0.00 63.50 61.93 1n94 n PRO 119 Cb 0.48 -2.05 0.04 0.00 -0.02 0.00 0.00 33.50 31.94 1n94 n PRO 119 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1n94 n GLN 120 N 4.93 0.09 -0.11 -0.52 6.02 -1.26 -1.32 117.38 125.21 1n94 n GLN 120 Ca 0.26 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.11 1n94 n GLN 120 Cb 0.12 -1.25 -0.14 0.00 1.02 0.00 0.00 30.24 29.99 1n94 n GLN 120 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1n94 n ILE 121 N -0.75 1.45 -0.09 5.09 3.06 -1.26 -4.16 119.36 122.70 1n94 n ILE 121 Ca 0.01 -0.72 -0.14 0.00 -2.50 0.00 0.00 62.75 59.40 1n94 n ILE 121 Cb 0.00 -0.96 -0.04 0.00 0.54 0.00 0.00 39.64 39.19 1n94 n ILE 121 CO 0.00 0.00 0.00 -0.37 -2.50 0.00 0.00 176.55 173.68 1n94 h VAL 122 N 0.00 1.29 -0.63 9.51 -1.51 -1.57 -3.10 116.25 120.24 1n94 h VAL 122 Ca -0.55 -1.61 0.12 0.00 -1.23 0.00 0.00 66.70 63.42 1n94 h VAL 122 Cb 2.07 1.62 -0.12 0.00 -2.13 0.00 0.00 31.29 32.74 1n94 h VAL 122 CO -0.02 0.52 -0.18 0.00 -1.23 0.00 0.00 177.57 176.66 1n94 n ALA 123 N -2.54 0.09 0.15 5.19 0.00 -0.82 0.35 120.51 122.93 1n94 n ALA 123 Ca -0.04 0.68 -0.06 0.00 0.00 0.00 0.00 53.44 54.02 1n94 n ALA 123 Cb 0.56 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 1n94 n ALA 123 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1n94 h THR 124 N 0.00 0.00 -0.87 0.00 2.02 -1.71 -2.49 112.91 109.86 1n94 h THR 124 Ca 0.28 -0.08 0.22 0.00 0.77 0.00 0.00 66.41 67.61 1n94 h THR 124 Cb 0.44 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.69 1n94 h THR 124 CO -0.64 0.00 -0.04 0.47 0.37 0.00 0.00 175.52 175.68 1n94 n ASP 125 N -3.25 -0.15 0.35 4.18 8.00 0.16 0.16 116.55 125.99 1n94 n ASP 125 Ca -0.05 1.48 -0.19 0.00 0.71 0.00 0.00 54.79 56.75 1n94 n ASP 125 Cb 0.15 -0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 40.64 1n94 n ASP 125 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1n94 h VAL 126 N 0.00 0.00 -0.11 2.53 2.07 -0.49 0.71 116.25 120.97 1n94 h VAL 126 Ca 0.50 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.07 1n94 h VAL 126 Cb 0.98 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1n94 h VAL 126 CO -0.84 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 176.44 1n94 h GLN 128 N -0.40 0.00 0.15 0.00 4.20 0.18 0.10 115.11 119.35 1n94 h GLN 128 Ca 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1n94 h GLN 128 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1n94 h GLN 128 CO -0.34 0.00 -0.07 0.35 -0.67 0.00 0.00 178.83 178.10 1n94 h PHE 129 N 0.00 -0.19 -1.05 2.96 3.57 0.38 -3.26 116.94 119.35 1n94 h PHE 129 Ca 0.25 -0.00 0.28 0.00 3.53 0.00 0.00 57.97 62.03 1n94 h PHE 129 Cb 1.14 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.87 1n94 h PHE 129 CO 0.00 -0.12 0.71 -0.07 -2.23 0.00 0.00 178.31 176.60 1n94 h LEU 130 N -0.71 0.28 -2.27 0.59 3.38 -0.32 1.29 115.31 117.55 1n94 h LEU 130 Ca -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n94 h LEU 130 Cb 0.16 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1n94 h LEU 130 CO 0.03 0.06 -0.05 -0.08 0.09 0.00 0.00 178.44 178.49 1n94 h GLU 131 N 0.25 0.00 0.00 1.13 4.81 -0.91 -1.39 114.58 118.47 1n94 h GLU 131 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 1n94 h GLU 131 Cb 1.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.08 1n94 h GLU 131 CO -0.18 0.05 -0.39 -0.07 -0.73 0.00 0.00 179.01 177.69 1n94 h LEU 132 N 0.00 0.00 0.08 1.64 3.38 0.16 -3.31 115.31 117.26 1n94 h LEU 132 Ca -0.00 -0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 1n94 h LEU 132 Cb 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1n94 h LEU 132 CO 0.01 0.01 -1.79 0.00 0.09 0.00 0.00 178.44 176.75 1n94 n GLN 134 N -3.33 0.92 -2.06 0.00 7.27 -0.75 -2.37 117.38 117.07 1n94 n GLN 134 Ca -0.23 0.24 -0.37 0.00 0.07 0.00 0.00 57.00 56.71 1n94 n GLN 134 Cb 1.05 -2.34 0.02 0.00 2.41 0.00 0.00 30.24 31.38 1n94 n GLN 134 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1n94 s SER 135 N 7.24 5.60 0.00 1.69 0.15 -0.79 -4.86 113.70 122.73 1n94 s SER 135 Ca 1.11 2.44 0.07 0.00 0.70 0.00 0.00 55.95 60.28 1n94 s SER 135 Cb -0.94 -2.61 0.33 0.00 -1.71 0.00 0.00 66.02 61.10 1n94 s SER 135 CO 0.51 -1.32 1.15 -0.81 1.20 0.00 0.00 173.24 173.97 1n94 n PRO 136 N -1.02 0.06 -2.53 5.44 -0.04 -1.26 -2.29 135.00 133.36 1n94 n PRO 136 Ca 0.10 0.29 -0.29 0.00 -0.04 0.00 0.00 63.50 63.56 1n94 n PRO 136 Cb 0.48 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1n94 n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1n94 n ASP 137 N -1.38 5.13 -1.35 3.54 8.00 -1.26 -5.01 116.55 124.22 1n94 n ASP 137 Ca 0.03 -3.73 0.04 0.00 0.71 0.00 0.00 54.79 51.84 1n94 n ASP 137 Cb 0.07 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.55 1n94 n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n94 n GLY 138 N -0.41 -3.76 0.44 0.44 0.00 -0.97 -4.49 105.19 96.44 1n94 n GLY 138 Ca 0.39 -0.96 0.06 0.00 0.00 0.00 0.00 46.02 45.51 1n94 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n94 n GLY 139 N -2.90 -1.69 3.55 -0.02 0.00 -1.26 -4.43 105.19 98.45 1n94 n GLY 139 Ca -0.02 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 1n94 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n94 s PHE 140 N -1.71 2.37 0.29 1.61 0.40 -1.26 -1.89 117.98 117.79 1n94 s PHE 140 Ca 0.00 -0.61 0.10 0.00 -0.60 0.00 0.00 56.93 55.83 1n94 s PHE 140 Cb 0.00 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 41.99 1n94 s PHE 140 CO 0.00 0.47 -0.08 0.20 0.70 0.00 0.00 175.22 176.51 1n94 s GLY 141 N -3.62 1.84 0.54 4.36 0.00 -1.00 -0.54 107.32 108.90 1n94 s GLY 141 Ca 0.33 -1.81 0.41 0.00 0.00 0.00 0.00 44.72 43.65 1n94 s GLY 141 CO 0.16 -1.86 1.72 -1.33 0.00 0.00 0.00 173.10 171.79 1n94 h GLY 142 N 2.02 0.08 -1.08 0.20 0.00 -1.82 -3.42 103.07 99.04 1n94 h GLY 142 Ca -0.42 -0.01 0.17 0.00 0.00 0.00 0.00 47.33 47.06 1n94 h GLY 142 CO 0.62 -0.02 0.50 0.61 0.00 0.00 0.00 176.54 178.25 1n94 n GLY 143 N -1.81 0.61 3.55 4.60 0.00 -1.26 0.86 105.19 111.74 1n94 n GLY 143 Ca 0.33 -1.03 -0.50 0.00 0.00 0.00 0.00 46.02 44.82 1n94 n GLY 143 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n94 n PRO 144 N -0.55 1.44 -1.61 1.61 -0.02 -1.26 -2.38 135.00 132.23 1n94 n PRO 144 Ca 0.01 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1n94 n PRO 144 Cb 0.39 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1n94 n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n94 n GLY 145 N 5.68 0.73 3.46 -1.23 0.00 -1.25 -5.03 105.19 107.54 1n94 n GLY 145 Ca 0.34 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 1n94 n GLY 145 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n94 s GLN 146 N -3.42 1.65 0.47 1.61 -0.21 -1.00 -5.10 119.66 113.66 1n94 s GLN 146 Ca 0.00 -1.32 -0.24 0.00 0.02 0.00 0.00 55.36 53.81 1n94 s GLN 146 Cb 0.00 -2.00 -0.07 0.00 1.00 0.00 0.00 33.01 31.94 1n94 s GLN 146 CO 0.00 0.45 1.41 0.71 -2.12 0.00 0.00 175.29 175.73 1n94 s TYR 147 N -1.32 2.43 0.49 0.91 2.02 -1.26 -4.33 117.35 116.29 1n94 s TYR 147 Ca 0.18 1.29 -0.24 0.00 -0.37 0.00 0.00 57.07 57.94 1n94 s TYR 147 Cb -0.10 -3.88 -0.07 0.00 -0.40 0.00 0.00 41.96 37.51 1n94 s TYR 147 CO 0.10 -2.90 1.37 -0.35 -1.57 0.00 0.00 175.55 172.20 1n94 n PRO 148 N -0.37 1.95 -3.66 -1.71 -0.04 -1.26 -4.38 135.00 125.53 1n94 n PRO 148 Ca 0.06 0.70 -0.07 0.00 -0.04 0.00 0.00 63.50 64.16 1n94 n PRO 148 Cb 0.43 -2.57 -0.08 0.00 -0.04 0.00 0.00 33.50 31.24 1n94 n PRO 148 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1n94 s HIS 149 N -1.24 -0.96 0.40 0.54 2.46 0.30 -4.53 115.29 112.25 1n94 s HIS 149 Ca 0.66 1.86 0.16 0.00 0.47 0.00 0.00 55.06 58.21 1n94 s HIS 149 Cb -0.44 0.52 0.85 0.00 -0.13 0.00 0.00 32.58 33.38 1n94 s HIS 149 CO 0.54 -0.50 1.41 -0.07 -2.47 0.00 0.00 174.74 173.65 1n94 h LEU 150 N 7.42 0.00 0.05 8.88 3.38 -1.82 -1.64 115.31 131.57 1n94 h LEU 150 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1n94 h LEU 150 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1n94 h LEU 150 CO 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.68 1n94 h ALA 151 N 0.91 -0.11 -0.34 1.53 0.00 -1.92 -2.09 119.26 117.24 1n94 h ALA 151 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1n94 h ALA 151 Cb 0.96 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1n94 h ALA 151 CO 0.00 -0.10 0.00 -1.00 0.00 0.00 0.00 179.25 178.15 1n94 h PRO 152 N -0.56 0.10 -1.00 0.00 0.13 -1.80 0.95 132.00 129.82 1n94 h PRO 152 Ca -0.01 -0.01 0.30 0.00 -0.87 0.00 0.00 66.00 65.42 1n94 h PRO 152 Cb 0.05 -0.02 -0.14 0.00 0.13 0.00 0.00 31.00 31.02 1n94 h PRO 152 CO 0.01 0.06 0.57 1.15 -0.23 0.00 0.00 178.00 179.57 1n94 h THR 153 N 0.10 0.37 0.39 1.56 2.02 -1.44 1.31 112.91 117.22 1n94 h THR 153 Ca 0.16 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1n94 h THR 153 Cb 0.22 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1n94 h THR 153 CO -0.27 0.07 -0.19 0.22 0.37 0.00 0.00 175.52 175.72 1n94 h TYR 154 N 0.40 -0.48 -0.82 3.16 3.20 -0.19 -2.07 116.97 120.17 1n94 h TYR 154 Ca 0.71 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.64 1n94 h TYR 154 Cb 1.54 0.16 -0.10 0.00 1.54 0.00 0.00 36.73 39.87 1n94 h TYR 154 CO -0.01 -0.30 -0.48 0.00 -1.64 0.00 0.00 178.16 175.72 1n94 n ALA 155 N -2.42 -0.53 -0.03 1.82 0.00 0.75 0.48 120.51 120.58 1n94 n ALA 155 Ca -0.06 0.70 -0.10 0.00 0.00 0.00 0.00 53.44 53.98 1n94 n ALA 155 Cb 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 1n94 n ALA 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n94 h ALA 156 N 0.38 -0.31 0.28 0.00 0.00 0.15 0.39 119.26 120.15 1n94 h ALA 156 Ca 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1n94 h ALA 156 Cb 0.34 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1n94 h ALA 156 CO -0.77 -0.77 -0.14 0.28 0.00 0.00 0.00 179.25 177.85 1n94 h VAL 157 N -0.35 0.75 0.00 0.00 2.07 -0.48 0.45 116.25 118.70 1n94 h VAL 157 Ca 0.12 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1n94 h VAL 157 Cb 0.54 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1n94 h VAL 157 CO -0.40 0.11 0.17 -1.13 0.02 0.00 0.00 177.57 176.34 1n94 h ASN 158 N -0.67 0.00 0.00 0.57 -0.00 0.18 -1.55 115.58 114.11 1n94 h ASN 158 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.26 1n94 h ASN 158 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.79 1n94 h ASN 158 CO 0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 177.43 177.29 1n94 h ALA 159 N 1.65 0.00 -1.12 1.57 0.00 0.51 -3.33 119.26 118.53 1n94 h ALA 159 Ca 0.00 -0.24 0.43 0.00 0.00 0.00 0.00 54.91 55.10 1n94 h ALA 159 Cb 0.34 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.18 1n94 h ALA 159 CO 0.00 0.21 0.67 1.28 0.00 0.00 0.00 179.25 181.41 1n94 n LEU 160 N -4.15 0.27 0.23 0.00 4.77 0.15 0.15 117.00 118.42 1n94 n LEU 160 Ca -0.03 1.46 0.09 0.00 -0.03 0.00 0.00 56.01 57.50 1n94 n LEU 160 Cb 0.11 -0.71 0.53 0.00 -2.33 0.00 0.00 43.42 41.02 1n94 n LEU 160 CO 0.04 -1.61 0.84 0.00 -1.33 0.00 0.00 177.39 175.33 1n94 h ILE 162 N 0.00 1.27 -0.16 0.00 2.04 0.13 -2.34 117.51 118.44 1n94 h ILE 162 Ca -0.00 -1.29 -0.10 0.00 1.00 0.00 0.00 64.86 64.47 1n94 h ILE 162 Cb 0.60 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1n94 h ILE 162 CO 0.03 0.44 -0.32 0.40 0.00 0.00 0.00 178.15 178.69 1n94 h ILE 163 N 0.75 1.28 -6.72 -0.67 2.04 -1.37 -3.48 117.51 109.34 1n94 h ILE 163 Ca 0.11 -1.35 -0.41 0.00 1.00 0.00 0.00 64.86 64.21 1n94 h ILE 163 Cb 0.69 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1n94 h ILE 163 CO 0.05 0.41 -0.79 0.61 0.00 0.00 0.00 178.15 178.43 1n94 n GLY 164 N -0.32 -0.79 3.18 5.37 0.00 -0.80 -4.96 105.19 106.86 1n94 n GLY 164 Ca -0.01 0.35 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 1n94 n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n94 s THR 165 N -3.34 0.99 0.08 2.61 -4.23 -1.26 -4.98 115.64 105.52 1n94 s THR 165 Ca 0.19 -1.61 0.15 0.00 -1.18 0.00 0.00 61.69 59.24 1n94 s THR 165 Cb -0.11 -1.34 0.15 0.00 1.34 0.00 0.00 72.50 72.55 1n94 s THR 165 CO 0.70 -0.51 1.39 -0.08 -0.54 0.00 0.00 174.62 175.58 1n94 h GLU 166 N 3.63 0.00 0.00 3.99 4.57 -1.99 0.11 114.58 124.88 1n94 h GLU 166 Ca -0.38 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.69 1n94 h GLU 166 Cb 1.19 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 1n94 h GLU 166 CO 0.51 0.00 -0.59 1.49 -1.18 0.00 0.00 179.01 179.24 1n94 h GLU 167 N 0.00 0.00 0.72 1.92 4.81 -1.97 -3.29 114.58 116.76 1n94 h GLU 167 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1n94 h GLU 167 Cb 0.58 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.97 1n94 h GLU 167 CO 0.00 0.96 -0.34 0.00 -0.73 0.00 0.00 179.01 178.90 1n94 h ALA 168 N -0.27 -1.17 -1.42 2.92 0.00 -1.13 -2.91 119.26 115.29 1n94 h ALA 168 Ca -0.16 -0.21 0.45 0.00 0.00 0.00 0.00 54.91 54.98 1n94 h ALA 168 Cb 1.11 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 19.16 1n94 h ALA 168 CO -0.10 -1.10 0.95 1.88 0.00 0.00 0.00 179.25 180.88 1n94 h TYR 169 N -1.03 0.39 0.00 0.00 0.05 -1.52 0.72 116.97 115.58 1n94 h TYR 169 Ca -0.10 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1n94 h TYR 169 Cb 0.74 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.38 1n94 h TYR 169 CO 0.05 -0.14 0.00 -0.91 -1.05 0.00 0.00 178.16 176.10 1n94 h ASN 170 N 0.07 0.00 -0.41 3.88 4.21 -1.59 -3.30 115.58 118.45 1n94 h ASN 170 Ca 0.81 0.00 0.06 0.00 1.21 0.00 0.00 56.30 58.38 1n94 h ASN 170 Cb 2.73 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 39.88 1n94 h ASN 170 CO -0.31 0.00 0.11 0.58 -1.29 0.00 0.00 177.43 176.52 1n94 h VAL 171 N 0.00 0.82 -2.75 2.81 2.07 0.65 -3.42 116.25 116.44 1n94 h VAL 171 Ca 0.00 -0.09 -0.53 0.00 0.82 0.00 0.00 66.70 66.90 1n94 h VAL 171 Cb 0.95 0.55 0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1n94 h VAL 171 CO 0.00 0.05 0.95 -0.63 0.02 0.00 0.00 177.57 177.96 1n94 s ILE 172 N -6.15 3.05 -1.20 4.57 1.01 -1.25 -4.93 121.20 116.29 1n94 s ILE 172 Ca -0.13 0.56 -0.08 0.00 0.00 0.00 0.00 60.65 61.00 1n94 s ILE 172 Cb 0.13 -3.36 0.22 0.00 0.01 0.00 0.00 42.46 39.46 1n94 s ILE 172 CO 0.72 0.01 1.70 -3.20 0.00 0.00 0.00 174.94 174.17 1n94 n ASN 173 N 5.23 5.59 -0.32 3.58 2.85 -1.26 -4.85 115.26 126.08 1n94 n ASN 173 Ca 0.15 -3.21 0.33 0.00 -0.11 0.00 0.00 54.58 51.73 1n94 n ASN 173 Cb 0.41 -1.40 0.50 0.00 1.24 0.00 0.00 39.78 40.53 1n94 n ASN 173 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1n94 n ARG 174 N 2.99 0.01 0.03 1.20 1.74 -1.26 -1.19 116.66 120.18 1n94 n ARG 174 Ca 0.34 1.01 -0.01 0.00 -0.77 0.00 0.00 57.85 58.42 1n94 n ARG 174 Cb 0.35 -2.48 -0.01 0.00 -1.02 0.00 0.00 32.46 29.31 1n94 n ARG 174 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1n94 h GLU 175 N 0.00 -0.07 -0.73 5.56 3.07 -1.99 -3.12 114.58 117.30 1n94 h GLU 175 Ca 0.58 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.55 1n94 h GLU 175 Cb 3.06 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 30.91 1n94 h GLU 175 CO -0.01 -0.05 0.35 0.87 -1.40 0.00 0.00 179.01 178.77 1n94 h LYS 176 N -0.11 0.55 -0.80 2.33 1.79 -1.54 -1.89 116.57 116.90 1n94 h LYS 176 Ca -0.01 -0.03 0.19 0.00 -2.18 0.00 0.00 60.65 58.62 1n94 h LYS 176 Cb 0.06 -0.12 -0.13 0.00 -1.58 0.00 0.00 32.23 30.45 1n94 h LYS 176 CO 0.01 0.36 0.10 1.25 -1.08 0.00 0.00 179.45 180.10 1n94 h LEU 177 N 0.56 -0.19 -0.59 2.94 5.85 -1.35 0.28 115.31 122.82 1n94 h LEU 177 Ca 0.37 0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.28 1n94 h LEU 177 Cb 0.45 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1n94 h LEU 177 CO -0.31 -0.16 0.37 0.25 -0.34 0.00 0.00 178.44 178.25 1n94 h LEU 178 N 0.16 0.69 -0.36 2.25 5.85 -1.27 -1.10 115.31 121.53 1n94 h LEU 178 Ca 0.46 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.13 1n94 h LEU 178 Cb 0.85 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1n94 h LEU 178 CO -0.65 0.53 0.18 1.56 -0.34 0.00 0.00 178.44 179.72 1n94 h GLN 179 N 0.79 0.51 0.24 1.25 4.20 -0.45 0.02 115.11 121.68 1n94 h GLN 179 Ca 0.21 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1n94 h GLN 179 Cb -0.05 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 1n94 h GLN 179 CO -0.04 0.45 -0.41 -0.92 -0.67 0.00 0.00 178.83 177.23 1n94 h TYR 180 N 0.44 -1.14 -0.43 2.96 3.20 -0.71 -1.56 116.97 119.74 1n94 h TYR 180 Ca 0.12 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.08 1n94 h TYR 180 Cb 0.10 0.47 -0.09 0.00 1.54 0.00 0.00 36.73 38.75 1n94 h TYR 180 CO -0.02 -0.53 -0.46 -0.07 -1.64 0.00 0.00 178.16 175.44 1n94 h LEU 181 N -0.73 -1.54 -1.89 2.82 3.38 -0.89 0.58 115.31 117.05 1n94 h LEU 181 Ca -0.00 0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1n94 h LEU 181 Cb 0.70 0.66 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1n94 h LEU 181 CO -0.16 -0.37 0.42 1.88 0.09 0.00 0.00 178.44 180.30 1n94 h TYR 182 N -0.33 0.00 0.02 1.13 0.05 -0.47 -1.25 116.97 116.11 1n94 h TYR 182 Ca 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 1n94 h TYR 182 Cb 0.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1n94 h TYR 182 CO -0.66 0.00 -0.01 0.66 -1.05 0.00 0.00 178.16 177.10 1n94 h SER 183 N 0.00 -0.02 0.22 3.88 4.64 0.11 -3.12 113.55 119.27 1n94 h SER 183 Ca 0.09 -0.74 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 1n94 h SER 183 Cb 0.93 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1n94 h SER 183 CO -0.00 0.76 0.00 -0.07 -0.87 0.00 0.00 176.83 176.65 1n94 h LEU 184 N -0.84 0.00 -9.44 5.97 3.38 -0.77 -3.44 115.31 110.17 1n94 h LEU 184 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1n94 h LEU 184 Cb 0.76 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.55 1n94 h LEU 184 CO 0.00 0.00 0.96 1.17 0.09 0.00 0.00 178.44 180.66 1n94 n LYS 185 N -2.48 2.32 -4.11 1.13 3.00 -0.78 -0.82 118.16 116.42 1n94 n LYS 185 Ca -0.01 0.84 -0.22 0.00 -0.00 0.00 0.00 58.31 58.92 1n94 n LYS 185 Cb 0.10 -2.66 -0.06 0.00 0.00 0.00 0.00 35.03 32.41 1n94 n LYS 185 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1n94 s GLN 186 N 2.23 2.55 0.06 1.64 -1.52 -1.13 -4.93 119.66 118.56 1n94 s GLN 186 Ca 0.83 -1.35 -0.36 0.00 -1.95 0.00 0.00 55.36 52.54 1n94 s GLN 186 Cb -0.64 -2.32 -0.19 0.00 -0.22 0.00 0.00 33.01 29.64 1n94 s GLN 186 CO 0.42 0.25 1.54 -1.35 -0.25 0.00 0.00 175.29 175.89 1n94 h PRO 187 N 1.58 -1.19 0.00 2.91 0.11 -1.94 -2.49 132.00 130.97 1n94 h PRO 187 Ca -0.45 0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1n94 h PRO 187 Cb 1.25 0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.63 1n94 h PRO 187 CO 0.61 -0.79 0.03 -0.40 -0.21 0.00 0.00 178.00 177.23 1n94 n ASP 188 N -5.47 0.00 0.00 -2.05 5.68 -1.26 -4.81 116.55 108.64 1n94 n ASP 188 Ca -0.15 0.32 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1n94 n ASP 188 Cb 0.50 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1n94 n ASP 188 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n94 n GLY 189 N -1.31 3.28 3.76 6.12 0.00 -0.94 -4.57 105.19 111.54 1n94 n GLY 189 Ca 0.00 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 1n94 n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n94 s SER 190 N 0.00 5.63 0.41 1.61 1.04 -1.26 -4.39 113.70 116.74 1n94 s SER 190 Ca 0.00 2.84 0.01 0.00 0.48 0.00 0.00 55.95 59.28 1n94 s SER 190 Cb 0.00 -2.64 -0.01 0.00 0.10 0.00 0.00 66.02 63.47 1n94 s SER 190 CO 0.00 -1.34 0.62 -0.36 0.98 0.00 0.00 173.24 173.14 1n94 s PHE 191 N -1.25 3.26 0.80 5.02 0.40 -1.26 -2.84 117.98 122.11 1n94 s PHE 191 Ca 0.65 0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 57.06 1n94 s PHE 191 Cb -0.42 -2.18 0.09 0.00 0.51 0.00 0.00 43.02 41.01 1n94 s PHE 191 CO 0.52 -0.21 1.16 -0.51 0.70 0.00 0.00 175.22 176.88 1n94 s LEU 192 N -4.45 2.59 -0.11 -0.37 1.43 0.00 -4.54 118.68 113.23 1n94 s LEU 192 Ca 0.46 0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 54.20 1n94 s LEU 192 Cb -0.10 -3.14 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 1n94 s LEU 192 CO 0.36 -1.93 -0.02 -0.03 0.23 0.00 0.00 176.35 174.97 1n94 h MET 193 N -1.02 0.00 -4.99 1.70 1.85 0.40 -3.47 114.93 109.40 1n94 h MET 193 Ca -0.45 0.00 -0.48 0.00 -0.61 0.00 0.00 59.70 58.16 1n94 h MET 193 Cb 1.32 0.00 -0.14 0.00 0.43 0.00 0.00 31.60 33.21 1n94 h MET 193 CO 0.62 0.02 -0.55 -3.38 -0.40 0.00 0.00 176.91 173.22 1n94 s HIS 194 N -1.68 1.72 -0.09 1.39 0.00 -1.26 -2.98 115.29 112.39 1n94 s HIS 194 Ca -0.03 -1.29 -0.30 0.00 -3.00 0.00 0.00 55.06 50.45 1n94 s HIS 194 Cb 0.00 -1.03 -0.08 0.00 -4.00 0.00 0.00 32.58 27.48 1n94 s HIS 194 CO 0.05 -0.37 2.08 0.28 -1.00 0.00 0.00 174.74 175.77 1n94 n VAL 195 N -0.72 0.57 -1.03 -5.38 0.31 -1.26 -0.01 118.33 110.82 1n94 n VAL 195 Ca -0.02 -0.27 -0.01 0.00 -0.01 0.00 0.00 64.34 64.03 1n94 n VAL 195 Cb 0.65 -2.36 -0.00 0.00 -0.91 0.00 0.00 33.84 31.22 1n94 n VAL 195 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n94 n GLY 196 N 5.10 0.48 0.00 2.92 0.00 -1.26 -5.02 105.19 107.42 1n94 n GLY 196 Ca 0.25 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1n94 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n94 n GLY 197 N -2.48 0.83 0.94 -0.02 0.00 0.99 -5.07 105.19 100.38 1n94 n GLY 197 Ca -0.01 -1.75 -0.05 0.00 0.00 0.00 0.00 46.02 44.22 1n94 n GLY 197 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n94 n GLU 198 N 0.00 0.91 -3.75 1.61 4.71 -1.26 -4.64 120.64 118.22 1n94 n GLU 198 Ca 0.00 -0.75 -0.13 0.00 -0.01 0.00 0.00 57.16 56.27 1n94 n GLU 198 Cb 0.00 -0.06 -0.13 0.00 -1.01 0.00 0.00 31.44 30.24 1n94 n GLU 198 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1n94 s VAL 199 N 0.13 -0.04 -0.08 2.62 -7.23 -1.26 0.10 120.40 114.64 1n94 s VAL 199 Ca 0.15 0.13 -0.31 0.00 -1.81 0.00 0.00 61.98 60.13 1n94 s VAL 199 Cb -0.01 -0.32 0.12 0.00 0.56 0.00 0.00 36.38 36.72 1n94 s VAL 199 CO 0.09 0.05 1.02 1.51 -0.31 0.00 0.00 175.10 177.47 1n94 s ASP 200 N 1.02 -0.27 0.20 4.85 1.47 -1.26 -4.73 116.67 117.94 1n94 s ASP 200 Ca -0.08 0.01 -0.02 0.00 1.18 0.00 0.00 52.55 53.64 1n94 s ASP 200 Cb -0.09 0.28 0.41 0.00 -0.34 0.00 0.00 42.92 43.18 1n94 s ASP 200 CO -0.06 -0.46 1.05 1.33 0.68 0.00 0.00 175.17 177.71 1n94 n VAL 201 N -0.16 -0.28 -0.27 2.11 0.24 -0.92 0.18 118.33 119.23 1n94 n VAL 201 Ca -0.05 1.50 0.18 0.00 -2.04 0.00 0.00 64.34 63.93 1n94 n VAL 201 Cb 0.60 -2.14 0.34 0.00 -1.47 0.00 0.00 33.84 31.18 1n94 n VAL 201 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1n94 n ARG 202 N -4.99 -0.06 0.41 7.34 0.63 -1.26 -0.16 116.66 118.58 1n94 n ARG 202 Ca 0.13 1.16 -0.16 0.00 -0.92 0.00 0.00 57.85 58.06 1n94 n ARG 202 Cb 0.43 -1.94 -0.08 0.00 0.45 0.00 0.00 32.46 31.32 1n94 n ARG 202 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1n94 h SER 203 N 0.00 -0.89 -0.80 6.15 0.87 0.15 -2.93 113.55 116.11 1n94 h SER 203 Ca 0.57 0.03 0.18 0.00 -1.23 0.00 0.00 61.79 61.34 1n94 h SER 203 Cb 1.35 0.23 -0.12 0.00 -0.44 0.00 0.00 62.40 63.43 1n94 h SER 203 CO -0.69 -0.63 0.24 0.00 -0.53 0.00 0.00 176.83 175.22 1n94 h ALA 204 N -1.51 1.11 -0.73 6.23 0.00 -0.65 -1.00 119.26 122.71 1n94 h ALA 204 Ca -0.11 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1n94 h ALA 204 Cb 0.80 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1n94 h ALA 204 CO 0.18 -0.34 0.44 -0.92 0.00 0.00 0.00 179.25 178.60 1n94 h TYR 205 N 0.31 0.81 0.43 0.00 3.20 -1.38 0.46 116.97 120.80 1n94 h TYR 205 Ca 0.47 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.34 1n94 h TYR 205 Cb 0.83 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1n94 h TYR 205 CO -0.23 0.42 -0.21 0.00 -1.64 0.00 0.00 178.16 176.50 1n94 h ALA 207 N -0.23 -0.29 -0.31 0.00 0.00 -0.92 -1.37 119.26 116.13 1n94 h ALA 207 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1n94 h ALA 207 Cb 0.52 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1n94 h ALA 207 CO 0.10 -0.30 -0.22 0.00 0.00 0.00 0.00 179.25 178.82 1n94 h ALA 208 N -1.23 -0.30 -0.99 0.00 0.00 -0.92 0.54 119.26 116.36 1n94 h ALA 208 Ca 0.00 0.03 0.31 0.00 0.00 0.00 0.00 54.91 55.25 1n94 h ALA 208 Cb 0.02 1.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.68 1n94 h ALA 208 CO -0.02 -0.44 0.15 0.45 0.00 0.00 0.00 179.25 179.39 1n94 n SER 209 N -3.81 0.00 0.01 0.00 2.88 0.41 -1.12 113.62 111.99 1n94 n SER 209 Ca 0.00 1.67 -0.00 0.00 -1.33 0.00 0.00 58.87 59.20 1n94 n SER 209 Cb 0.11 -0.66 -0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1n94 n SER 209 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1n94 h VAL 210 N 0.00 0.00 -0.98 2.46 2.07 -0.06 -3.12 116.25 116.61 1n94 h VAL 210 Ca 0.66 -0.05 0.23 0.00 0.82 0.00 0.00 66.70 68.36 1n94 h VAL 210 Cb 1.49 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 31.08 1n94 h VAL 210 CO -0.89 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 176.58 1n94 h ALA 211 N -1.94 0.88 0.00 1.67 0.00 -0.66 0.19 119.26 119.40 1n94 h ALA 211 Ca -0.00 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1n94 h ALA 211 Cb 0.02 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1n94 h ALA 211 CO 0.00 -0.47 -0.02 0.66 0.00 0.00 0.00 179.25 179.43 1n94 h SER 212 N 0.00 -0.05 0.58 0.00 4.64 -1.27 0.25 113.55 117.70 1n94 h SER 212 Ca 0.53 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.84 1n94 h SER 212 Cb 0.94 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1n94 h SER 212 CO -0.97 -0.03 -0.43 -0.07 -0.87 0.00 0.00 176.83 174.47 1n94 h LEU 213 N -0.04 -1.11 -0.78 5.97 3.38 -0.62 0.02 115.31 122.13 1n94 h LEU 213 Ca 0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1n94 h LEU 213 Cb 0.05 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1n94 h LEU 213 CO -0.02 -0.63 0.00 0.35 0.09 0.00 0.00 178.44 178.23 1n94 n THR 214 N -5.54 0.00 -3.07 0.22 -2.24 -0.50 -4.43 114.28 98.72 1n94 n THR 214 Ca -0.13 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 1n94 n THR 214 Cb 0.43 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1n94 n THR 214 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1n94 n ASN 215 N -0.02 -2.73 -1.85 3.42 5.15 0.64 -4.87 115.26 115.00 1n94 n ASN 215 Ca 0.00 -0.46 -0.04 0.00 -0.60 0.00 0.00 54.58 53.48 1n94 n ASN 215 Cb 0.15 -0.88 0.07 0.00 -0.53 0.00 0.00 39.78 38.59 1n94 n ASN 215 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1n94 n ILE 216 N -1.39 1.46 -3.41 -1.44 -5.35 0.12 -4.93 119.36 104.43 1n94 n ILE 216 Ca -0.16 -2.83 -0.38 0.00 -0.27 0.00 0.00 62.75 59.10 1n94 n ILE 216 Cb 0.39 0.31 -0.08 0.00 -1.74 0.00 0.00 39.64 38.52 1n94 n ILE 216 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1n94 s ILE 217 N -2.95 5.20 0.22 7.28 1.01 -1.26 -4.96 121.20 125.74 1n94 s ILE 217 Ca 0.37 0.60 -0.03 0.00 0.00 0.00 0.00 60.65 61.59 1n94 s ILE 217 Cb 0.37 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1n94 s ILE 217 CO -0.06 0.21 0.44 0.42 0.00 0.00 0.00 174.94 175.96 1n94 s THR 218 N 1.68 5.14 -2.00 2.92 -4.23 -1.26 -4.95 115.64 112.94 1n94 s THR 218 Ca 0.16 -0.18 0.06 0.00 -1.18 0.00 0.00 61.69 60.55 1n94 s THR 218 Cb -0.15 -3.72 0.18 0.00 1.34 0.00 0.00 72.50 70.15 1n94 s THR 218 CO 0.09 -0.20 0.79 -2.65 -0.54 0.00 0.00 174.62 172.10 1n94 n PRO 219 N -0.67 0.26 -0.11 3.99 -0.02 -1.26 -2.21 135.00 134.97 1n94 n PRO 219 Ca -0.03 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.49 1n94 n PRO 219 Cb 0.54 -1.38 0.07 0.00 -0.02 0.00 0.00 33.50 32.70 1n94 n PRO 219 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1n94 n ASP 220 N -0.88 1.70 0.00 2.55 5.75 -1.26 -4.82 116.55 119.58 1n94 n ASP 220 Ca 0.05 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 1n94 n ASP 220 Cb 0.02 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1n94 n ASP 220 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1n94 n LEU 221 N -0.84 1.79 -1.00 -2.12 7.94 -0.94 -4.21 117.00 117.63 1n94 n LEU 221 Ca 0.08 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 1n94 n LEU 221 Cb 0.53 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.31 1n94 n LEU 221 CO 0.00 -0.18 0.44 0.49 -1.11 0.00 0.00 177.39 177.04 1n94 n PHE 222 N -1.03 0.00 -1.56 1.96 3.72 -1.26 -4.87 117.46 114.43 1n94 n PHE 222 Ca 0.00 -0.44 -0.41 0.00 -0.05 0.00 0.00 57.45 56.55 1n94 n PHE 222 Cb 0.00 -0.23 -0.04 0.00 -0.94 0.00 0.00 39.48 38.27 1n94 n PHE 222 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1n94 n GLU 223 N 0.55 1.35 0.00 -1.08 4.07 -1.26 -0.10 120.64 124.17 1n94 n GLU 223 Ca 0.00 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 1n94 n GLU 223 Cb 0.44 -3.18 0.00 0.00 -0.06 0.00 0.00 31.44 28.64 1n94 n GLU 223 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n94 n GLY 224 N 6.00 2.69 0.28 8.31 0.00 -1.26 -4.52 105.19 116.69 1n94 n GLY 224 Ca 0.36 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.45 1n94 n GLY 224 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1n94 h THR 225 N 0.00 0.42 -0.15 2.61 2.02 -0.73 0.41 112.91 117.49 1n94 h THR 225 Ca 0.00 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.15 1n94 h THR 225 Cb 0.00 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.57 1n94 h THR 225 CO 0.00 0.04 -0.08 0.00 0.37 0.00 0.00 175.52 175.85 1n94 h ALA 226 N 1.67 0.04 -1.01 6.16 0.00 -1.93 -1.11 119.26 123.10 1n94 h ALA 226 Ca 0.44 0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.65 1n94 h ALA 226 Cb 0.80 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 1n94 h ALA 226 CO -0.59 -0.52 0.63 0.93 0.00 0.00 0.00 179.25 179.70 1n94 h GLU 227 N -0.07 0.51 0.06 0.00 3.07 -0.61 -2.14 114.58 115.39 1n94 h GLU 227 Ca 0.08 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1n94 h GLU 227 Cb 0.20 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1n94 h GLU 227 CO -0.19 0.34 -0.03 2.35 -1.40 0.00 0.00 179.01 180.08 1n94 h TRP 228 N 0.53 -0.07 -0.09 4.33 7.01 -0.23 -2.94 115.95 124.48 1n94 h TRP 228 Ca 0.59 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.61 1n94 h TRP 228 Cb 1.26 0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 28.34 1n94 h TRP 228 CO -0.00 0.50 0.38 0.82 -2.79 0.00 0.00 178.44 177.35 1n94 h ILE 229 N -0.74 0.08 0.12 2.65 2.04 -0.60 0.34 117.51 121.40 1n94 h ILE 229 Ca -0.01 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.65 1n94 h ILE 229 Cb 0.61 0.64 0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1n94 h ILE 229 CO 0.01 0.00 -0.93 0.00 0.00 0.00 0.00 178.15 177.24 1n94 h ALA 230 N 1.33 -0.00 0.00 1.87 0.00 -1.41 -3.12 119.26 117.93 1n94 h ALA 230 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1n94 h ALA 230 Cb 0.80 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1n94 h ALA 230 CO -0.00 0.48 0.10 0.54 0.00 0.00 0.00 179.25 180.36 1n94 n ARG 231 N -4.12 0.00 0.13 0.00 1.74 0.12 -0.42 116.66 114.10 1n94 n ARG 231 Ca -0.17 0.40 -0.22 0.00 -0.77 0.00 0.00 57.85 57.08 1n94 n ARG 231 Cb 0.81 -1.60 -0.15 0.00 -1.02 0.00 0.00 32.46 30.50 1n94 n ARG 231 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n94 n GLN 233 N -3.65 1.37 -0.01 0.00 7.27 0.44 -3.38 117.38 119.41 1n94 n GLN 233 Ca -0.16 0.26 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1n94 n GLN 233 Cb 1.09 -3.12 0.00 0.00 2.41 0.00 0.00 30.24 30.62 1n94 n GLN 233 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1n94 n ASN 234 N 13.02 0.00 0.26 1.69 2.04 -1.08 -4.86 115.26 126.32 1n94 n ASN 234 Ca 0.36 -0.12 0.17 0.00 -0.44 0.00 0.00 54.58 54.56 1n94 n ASN 234 Cb 0.43 0.00 0.82 0.00 -2.53 0.00 0.00 39.78 38.50 1n94 n ASN 234 CO 0.00 0.00 0.00 4.11 -0.44 0.00 0.00 177.26 180.93 1n94 h TRP 235 N -0.10 0.00 -0.19 -2.53 5.08 -1.91 -2.41 115.95 113.88 1n94 h TRP 235 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1n94 h TRP 235 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1n94 h TRP 235 CO 0.00 0.00 0.00 0.39 -1.28 0.00 0.00 178.44 177.55 1n94 n GLU 236 N -2.82 1.65 0.00 0.12 1.02 -1.26 -4.91 120.64 114.44 1n94 n GLU 236 Ca -0.01 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 56.15 1n94 n GLU 236 Cb 0.18 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1n94 n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n94 n GLY 237 N 1.05 2.31 0.00 0.62 0.00 -0.91 -4.62 105.19 103.64 1n94 n GLY 237 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1n94 n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n94 n GLY 238 N -0.77 -0.76 3.39 -0.02 0.00 -1.26 -3.62 105.19 102.16 1n94 n GLY 238 Ca 0.00 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 1n94 n GLY 238 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n94 s ILE 239 N -0.54 2.15 0.37 -0.61 1.01 -1.26 -2.65 121.20 119.67 1n94 s ILE 239 Ca 0.00 -2.04 0.07 0.00 0.00 0.00 0.00 60.65 58.69 1n94 s ILE 239 Cb 0.00 -2.03 -0.07 0.00 0.01 0.00 0.00 42.46 40.36 1n94 s ILE 239 CO 0.00 -0.24 -0.01 -0.83 0.00 0.00 0.00 174.94 173.86 1n94 s GLY 240 N -2.78 2.33 0.03 6.18 0.00 -1.22 -0.04 107.32 111.82 1n94 s GLY 240 Ca 0.20 -2.19 -0.07 0.00 0.00 0.00 0.00 44.72 42.65 1n94 s GLY 240 CO 0.09 -2.03 1.12 -1.33 0.00 0.00 0.00 173.10 170.96 1n94 h GLY 241 N 1.91 -1.84 -4.52 0.20 0.00 -1.79 -3.43 103.07 93.61 1n94 h GLY 241 Ca -0.43 0.86 -0.45 0.00 0.00 0.00 0.00 47.33 47.31 1n94 h GLY 241 CO 0.76 -0.64 -0.79 -1.34 0.00 0.00 0.00 176.54 174.53 1n94 s VAL 242 N -3.58 1.22 -0.12 4.60 -7.23 -1.26 -2.16 120.40 111.87 1n94 s VAL 242 Ca -0.03 -1.23 -0.19 0.00 -1.81 0.00 0.00 61.98 58.72 1n94 s VAL 242 Cb 0.02 -1.14 -0.09 0.00 0.56 0.00 0.00 36.38 35.74 1n94 s VAL 242 CO 0.14 -0.11 0.58 -2.65 -0.31 0.00 0.00 175.10 172.75 1n94 n PRO 243 N 1.49 0.00 0.00 4.82 -0.02 -1.26 -0.82 135.00 139.20 1n94 n PRO 243 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1n94 n PRO 243 Cb 0.54 -0.64 0.00 0.00 -0.02 0.00 0.00 33.50 33.38 1n94 n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n94 n GLY 244 N 1.23 1.38 3.81 -1.23 0.00 -1.26 -5.04 105.19 104.08 1n94 n GLY 244 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1n94 n GLY 244 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n94 s MET 245 N -0.74 4.22 0.47 1.61 -1.94 -0.00 -5.02 119.30 117.89 1n94 s MET 245 Ca 0.00 0.78 -0.15 0.00 -1.71 0.00 0.00 55.69 54.60 1n94 s MET 245 Cb 0.00 -3.13 -0.13 0.00 2.01 0.00 0.00 34.83 33.58 1n94 s MET 245 CO 0.00 0.57 -0.15 -1.91 -0.01 0.00 0.00 175.02 173.52 1n94 n GLU 246 N 1.39 0.00 -2.12 2.03 2.13 -1.26 -3.95 120.64 118.86 1n94 n GLU 246 Ca -0.08 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.34 1n94 n GLU 246 Cb 0.51 -0.86 -0.02 0.00 0.27 0.00 0.00 31.44 31.33 1n94 n GLU 246 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1n94 s ALA 247 N -1.73 3.43 -0.13 4.31 0.00 -1.26 -3.88 121.76 122.49 1n94 s ALA 247 Ca 0.48 1.23 -0.08 0.00 0.00 0.00 0.00 51.96 53.59 1n94 s ALA 247 Cb -0.41 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.29 1n94 s ALA 247 CO 0.58 -0.66 0.33 -1.58 0.00 0.00 0.00 175.76 174.43 1n94 s HIS 248 N -1.18 -0.44 0.20 0.00 2.46 0.95 -4.70 115.29 112.58 1n94 s HIS 248 Ca 0.51 1.00 -0.11 0.00 0.47 0.00 0.00 55.06 56.93 1n94 s HIS 248 Cb -0.39 0.15 0.17 0.00 -0.13 0.00 0.00 32.58 32.38 1n94 s HIS 248 CO 0.51 -0.26 1.84 0.78 -2.47 0.00 0.00 174.74 175.13 1n94 h GLY 249 N 6.83 0.94 0.99 1.59 0.00 -1.50 -0.12 103.07 111.79 1n94 h GLY 249 Ca -0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1n94 h GLY 249 CO 0.33 0.25 -0.06 -1.33 0.00 0.00 0.00 176.54 175.72 1n94 h GLY 250 N 0.78 -0.17 0.93 4.60 0.00 -1.85 -0.60 103.07 106.75 1n94 h GLY 250 Ca 0.26 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 1n94 h GLY 250 CO -0.11 -0.06 0.13 -0.97 0.00 0.00 0.00 176.54 175.52 1n94 h TYR 251 N -0.17 0.57 -0.26 5.60 0.05 -1.86 -2.44 116.97 118.45 1n94 h TYR 251 Ca -0.02 -0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.76 1n94 h TYR 251 Cb 0.13 -0.17 -0.08 0.00 1.01 0.00 0.00 36.73 37.63 1n94 h TYR 251 CO -0.07 0.53 -0.49 1.15 -1.05 0.00 0.00 178.16 178.24 1n94 h THR 252 N 0.43 0.06 -0.72 -2.88 2.02 -0.81 0.67 112.91 111.68 1n94 h THR 252 Ca 0.12 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.45 1n94 h THR 252 Cb 0.22 0.06 -0.13 0.00 -1.74 0.00 0.00 68.15 66.56 1n94 h THR 252 CO -0.01 0.00 -0.10 0.15 0.37 0.00 0.00 175.52 175.93 1n94 h PHE 253 N -0.46 -0.24 0.21 3.16 3.57 -0.94 0.14 116.94 122.38 1n94 h PHE 253 Ca 0.08 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1n94 h PHE 253 Cb 0.63 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1n94 h PHE 253 CO -0.60 -0.28 -0.42 0.00 -2.23 0.00 0.00 178.31 174.78 1n94 h GLY 255 N -0.72 -0.04 0.83 0.00 0.00 0.18 -0.56 103.07 102.77 1n94 h GLY 255 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 1n94 h GLY 255 CO -0.19 -0.15 -0.27 -2.00 0.00 0.00 0.00 176.54 173.93 1n94 h LEU 256 N -0.16 -0.64 -0.80 3.11 5.85 -0.64 -2.59 115.31 119.44 1n94 h LEU 256 Ca 0.10 -0.04 0.19 0.00 0.84 0.00 0.00 57.88 58.97 1n94 h LEU 256 Cb 0.32 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 41.39 1n94 h LEU 256 CO -0.26 -0.34 0.23 0.00 -0.34 0.00 0.00 178.44 177.73 1n94 h ALA 257 N -0.61 1.12 -0.77 1.25 0.00 -0.77 0.41 119.26 119.89 1n94 h ALA 257 Ca -0.08 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1n94 h ALA 257 Cb 0.64 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1n94 h ALA 257 CO 0.13 -0.36 0.51 0.00 0.00 0.00 0.00 179.25 179.53 1n94 h ALA 258 N 1.67 1.50 0.00 0.00 0.00 -1.00 -0.84 119.26 120.58 1n94 h ALA 258 Ca 0.47 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 1n94 h ALA 258 Cb 0.86 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1n94 h ALA 258 CO -0.55 0.44 -0.32 -0.07 0.00 0.00 0.00 179.25 178.76 1n94 h LEU 259 N 0.99 0.00 -0.59 0.00 3.38 0.08 0.26 115.31 119.44 1n94 h LEU 259 Ca 0.30 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.13 1n94 h LEU 259 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1n94 h LEU 259 CO -0.08 0.32 -0.67 0.58 0.09 0.00 0.00 178.44 178.68 1n94 h VAL 260 N 0.00 1.41 0.24 1.22 2.07 0.55 0.59 116.25 122.33 1n94 h VAL 260 Ca -0.00 -2.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.17 1n94 h VAL 260 Cb 1.15 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1n94 h VAL 260 CO 0.04 0.65 -0.11 0.40 0.02 0.00 0.00 177.57 178.57 1n94 h ILE 261 N 0.00 0.35 0.00 4.57 2.04 -0.89 -3.14 117.51 120.44 1n94 h ILE 261 Ca -0.01 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1n94 h ILE 261 Cb 1.23 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1n94 h ILE 261 CO 0.09 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.51 1n94 n LEU 262 N -4.98 0.00 -3.59 1.44 4.77 0.90 -4.81 117.00 110.73 1n94 n LEU 262 Ca -0.06 0.28 -0.21 0.00 -0.03 0.00 0.00 56.01 55.98 1n94 n LEU 262 Cb 0.20 -0.28 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1n94 n LEU 262 CO 0.17 -0.28 0.12 0.29 -1.33 0.00 0.00 177.39 176.36 1n94 n LYS 263 N -1.28 -6.60 0.00 3.23 5.02 0.69 -4.92 118.16 114.30 1n94 n LYS 263 Ca 0.00 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1n94 n LYS 263 Cb 0.00 -5.71 0.00 0.00 -0.02 0.00 0.00 35.03 29.30 1n94 n LYS 263 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1n94 n LYS 264 N -4.48 1.17 -0.07 1.97 4.76 0.17 -4.91 118.16 116.77 1n94 n LYS 264 Ca -0.17 -0.89 -0.02 0.00 -2.87 0.00 0.00 58.31 54.36 1n94 n LYS 264 Cb 0.62 -0.81 -0.02 0.00 -1.84 0.00 0.00 35.03 32.99 1n94 n LYS 264 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1n94 n GLU 265 N -0.22 -0.07 0.16 1.97 4.71 -1.15 0.18 120.64 126.22 1n94 n GLU 265 Ca 0.00 0.34 0.05 0.00 -0.01 0.00 0.00 57.16 57.54 1n94 n GLU 265 Cb 0.28 -0.51 0.27 0.00 -1.01 0.00 0.00 31.44 30.47 1n94 n GLU 265 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1n94 n ARG 266 N -3.55 0.07 0.32 3.49 1.74 -1.26 -1.66 116.66 115.81 1n94 n ARG 266 Ca 0.00 0.54 0.22 0.00 -0.77 0.00 0.00 57.85 57.84 1n94 n ARG 266 Cb 0.04 -2.14 1.13 0.00 -1.02 0.00 0.00 32.46 30.48 1n94 n ARG 266 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1n94 h SER 267 N 0.00 0.00 -0.79 0.55 0.02 0.14 -3.43 113.55 110.04 1n94 h SER 267 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 1n94 h SER 267 Cb 0.82 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.39 1n94 h SER 267 CO 0.00 0.00 -0.08 -0.76 -1.14 0.00 0.00 176.83 174.85 1n94 s LEU 268 N -6.02 3.07 -1.08 5.07 1.43 -0.67 -4.98 118.68 115.51 1n94 s LEU 268 Ca -0.04 -0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 52.07 1n94 s LEU 268 Cb 0.12 -1.59 0.20 0.00 0.03 0.00 0.00 46.19 44.96 1n94 s LEU 268 CO 0.41 -1.39 1.19 0.21 0.23 0.00 0.00 176.35 177.00 1n94 s ASN 269 N -4.69 7.03 0.38 2.29 3.84 -1.26 -4.87 114.94 117.67 1n94 s ASN 269 Ca 0.62 -2.98 0.15 0.00 0.21 0.00 0.00 52.86 50.86 1n94 s ASN 269 Cb -0.05 -2.32 1.00 0.00 -0.55 0.00 0.00 41.25 39.33 1n94 s ASN 269 CO 0.39 -0.64 1.80 -0.07 -2.79 0.00 0.00 177.10 175.80 1n94 h LEU 270 N 8.64 0.52 -0.38 3.21 3.38 -1.89 -0.95 115.31 127.85 1n94 h LEU 270 Ca 0.22 0.07 -0.18 0.00 0.09 0.00 0.00 57.88 58.08 1n94 h LEU 270 Cb 0.92 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1n94 h LEU 270 CO 1.08 0.16 -0.62 0.50 0.09 0.00 0.00 178.44 179.66 1n94 h LYS 271 N 0.49 0.66 0.00 1.13 3.64 -1.98 -1.24 116.57 119.28 1n94 h LYS 271 Ca 0.55 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1n94 h LYS 271 Cb 1.23 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1n94 h LYS 271 CO -0.27 1.08 0.00 0.77 -2.27 0.00 0.00 179.45 178.75 1n94 h SER 272 N 0.49 0.00 0.00 4.20 0.02 -1.55 -2.94 113.55 113.77 1n94 h SER 272 Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1n94 h SER 272 Cb 1.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1n94 h SER 272 CO 0.12 0.00 -0.13 0.25 -1.14 0.00 0.00 176.83 175.94 1n94 h LEU 273 N 0.00 0.00 -0.47 5.07 5.85 -0.82 -3.31 115.31 121.63 1n94 h LEU 273 Ca 0.00 -0.56 0.09 0.00 0.84 0.00 0.00 57.88 58.26 1n94 h LEU 273 Cb 0.45 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.39 1n94 h LEU 273 CO 0.00 0.85 -0.12 0.25 -0.34 0.00 0.00 178.44 179.08 1n94 h LEU 274 N -1.00 -0.44 -0.76 2.25 5.85 -1.24 -0.94 115.31 119.04 1n94 h LEU 274 Ca -0.03 0.14 0.16 0.00 0.84 0.00 0.00 57.88 59.00 1n94 h LEU 274 Cb 0.65 0.29 -0.14 0.00 0.37 0.00 0.00 40.66 41.83 1n94 h LEU 274 CO -0.02 -0.15 -0.09 -0.61 -0.34 0.00 0.00 178.44 177.23 1n94 h GLN 275 N -0.00 0.04 0.05 1.25 5.75 -1.68 -2.14 115.11 118.38 1n94 h GLN 275 Ca 0.22 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.72 1n94 h GLN 275 Cb 0.34 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.88 1n94 h GLN 275 CO -0.48 0.03 -0.02 2.35 -2.65 0.00 0.00 178.83 178.05 1n94 h TRP 276 N 0.04 -0.06 -0.56 3.99 7.01 -1.28 -2.74 115.95 122.36 1n94 h TRP 276 Ca 0.39 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.44 1n94 h TRP 276 Cb 0.66 0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 27.67 1n94 h TRP 276 CO -0.51 -0.04 -0.33 0.28 -2.79 0.00 0.00 178.44 175.05 1n94 n VAL 277 N -2.22 -0.38 -0.28 2.65 0.31 -0.88 0.21 118.33 117.73 1n94 n VAL 277 Ca -0.01 1.54 0.10 0.00 -0.01 0.00 0.00 64.34 65.96 1n94 n VAL 277 Cb 0.03 -1.92 0.24 0.00 -0.91 0.00 0.00 33.84 31.28 1n94 n VAL 277 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1n94 h THR 278 N 0.00 0.35 0.00 2.52 1.35 -1.47 1.37 112.91 117.02 1n94 h THR 278 Ca 0.09 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1n94 h THR 278 Cb 0.23 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 66.79 1n94 h THR 278 CO -0.53 0.04 0.00 -1.20 -0.25 0.00 0.00 175.52 173.58 1n94 n SER 279 N -5.25 0.24 0.12 5.36 7.64 0.57 -2.37 113.62 119.93 1n94 n SER 279 Ca 0.18 0.58 0.12 0.00 1.01 0.00 0.00 58.87 60.76 1n94 n SER 279 Cb 0.60 -0.62 0.47 0.00 -1.01 0.00 0.00 64.21 63.64 1n94 n SER 279 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1n94 n ARG 280 N -1.78 0.21 -2.95 1.43 5.12 0.47 -4.74 116.66 114.41 1n94 n ARG 280 Ca 0.02 0.35 -0.37 0.00 -1.93 0.00 0.00 57.85 55.92 1n94 n ARG 280 Cb 0.13 -1.84 -0.06 0.00 -1.16 0.00 0.00 32.46 29.52 1n94 n ARG 280 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1n94 s GLN 281 N -3.24 4.45 -0.18 5.56 0.74 -1.00 -0.77 119.66 125.21 1n94 s GLN 281 Ca 0.06 1.10 -0.29 0.00 0.05 0.00 0.00 55.36 56.28 1n94 s GLN 281 Cb 0.10 -2.93 -0.00 0.00 1.10 0.00 0.00 33.01 31.29 1n94 s GLN 281 CO 0.45 0.39 1.05 -1.64 -0.55 0.00 0.00 175.29 174.99 1n94 s MET 282 N -1.84 4.31 0.00 1.67 -1.94 0.13 -4.89 119.30 116.74 1n94 s MET 282 Ca 0.44 1.40 0.03 0.00 -1.71 0.00 0.00 55.69 55.85 1n94 s MET 282 Cb -0.19 -3.61 0.16 0.00 2.01 0.00 0.00 34.83 33.20 1n94 s MET 282 CO 0.23 -0.53 0.57 2.89 -0.01 0.00 0.00 175.02 178.17 1n94 n ARG 283 N 5.87 0.10 0.00 2.03 1.85 -1.26 -3.05 116.66 122.20 1n94 n ARG 283 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 1n94 n ARG 283 Cb 0.47 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 1n94 n ARG 283 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1n94 n PHE 284 N -0.90 0.00 -0.18 2.89 7.35 -1.26 -4.67 117.46 120.69 1n94 n PHE 284 Ca 0.02 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.62 1n94 n PHE 284 Cb 0.01 0.02 -0.07 0.00 0.35 0.00 0.00 39.48 39.79 1n94 n PHE 284 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1n94 h GLU 285 N 0.00 -0.15 0.00 -4.13 3.07 -1.90 -3.47 114.58 107.99 1n94 h GLU 285 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1n94 h GLU 285 Cb 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1n94 h GLU 285 CO 0.00 -0.10 0.00 0.41 -1.40 0.00 0.00 179.01 177.92 1n94 n GLY 286 N -1.22 1.61 0.00 -3.84 0.00 -1.17 -4.62 105.19 95.95 1n94 n GLY 286 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1n94 n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n94 n GLY 287 N 0.00 1.60 3.72 -0.02 0.00 -1.26 -3.26 105.19 105.96 1n94 n GLY 287 Ca 0.00 -2.02 -0.24 0.00 0.00 0.00 0.00 46.02 43.76 1n94 n GLY 287 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n94 s PHE 288 N 1.43 2.64 -0.11 1.61 0.40 -1.26 -0.69 117.98 122.00 1n94 s PHE 288 Ca 0.00 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1n94 s PHE 288 Cb 0.00 -1.71 0.01 0.00 0.51 0.00 0.00 43.02 41.83 1n94 s PHE 288 CO 0.00 0.32 -0.21 1.14 0.70 0.00 0.00 175.22 177.16 1n94 s GLN 289 N -3.84 2.83 0.64 0.44 -2.07 0.05 -0.65 119.66 117.05 1n94 s GLN 289 Ca 0.38 -0.79 0.41 0.00 -1.82 0.00 0.00 55.36 53.54 1n94 s GLN 289 Cb -0.00 -2.23 2.18 0.00 -1.09 0.00 0.00 33.01 31.87 1n94 s GLN 289 CO 0.22 0.06 2.29 0.78 -1.32 0.00 0.00 175.29 177.32 1n94 h GLY 290 N 7.07 0.00 -5.11 2.60 0.00 -1.85 -3.43 103.07 102.35 1n94 h GLY 290 Ca -0.27 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 1n94 h GLY 290 CO 0.51 0.00 -0.25 0.50 0.00 0.00 0.00 176.54 177.29 1n94 s ARG 291 N -4.10 0.50 -0.11 4.80 0.52 -1.26 -1.39 118.95 117.91 1n94 s ARG 291 Ca -0.04 0.42 -0.40 0.00 -0.52 0.00 0.00 55.73 55.19 1n94 s ARG 291 Cb 0.12 0.24 -0.18 0.00 0.52 0.00 0.00 34.95 35.65 1n94 s ARG 291 CO 0.45 -0.08 1.39 0.00 0.02 0.00 0.00 175.30 177.08 1n94 n ASN 293 N 3.06 -3.80 -3.72 0.00 3.02 -1.26 -5.05 115.26 107.52 1n94 n ASN 293 Ca 0.23 -0.49 -0.13 0.00 -0.03 0.00 0.00 54.58 54.16 1n94 n ASN 293 Cb 0.10 -3.93 -0.10 0.00 -0.61 0.00 0.00 39.78 35.25 1n94 n ASN 293 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1n94 s LYS 294 N -4.49 0.50 0.66 3.52 1.02 -0.90 -5.00 119.74 115.05 1n94 s LYS 294 Ca 0.18 0.65 -0.17 0.00 0.02 0.00 0.00 55.97 56.64 1n94 s LYS 294 Cb -0.02 0.21 -0.11 0.00 -0.52 0.00 0.00 37.83 37.39 1n94 s LYS 294 CO 0.54 -0.08 0.05 1.28 -0.92 0.00 0.00 175.35 176.22 1n94 n LEU 295 N 3.07 -2.08 -4.71 3.17 4.77 -1.26 -4.72 117.00 115.23 1n94 n LEU 295 Ca -0.15 0.57 -0.30 0.00 -0.03 0.00 0.00 56.01 56.10 1n94 n LEU 295 Cb 0.57 -0.99 0.14 0.00 -2.33 0.00 0.00 43.42 40.80 1n94 n LEU 295 CO 0.11 -4.25 0.67 0.54 -1.33 0.00 0.00 177.39 173.13 1n94 s VAL 296 N -1.94 2.69 -0.30 4.08 0.11 -1.26 -4.49 120.40 119.28 1n94 s VAL 296 Ca 0.58 0.22 -0.10 0.00 -2.93 0.00 0.00 61.98 59.75 1n94 s VAL 296 Cb -0.39 -2.66 0.18 0.00 -1.53 0.00 0.00 36.38 31.97 1n94 s VAL 296 CO 0.65 -0.29 0.92 -0.62 -3.33 0.00 0.00 175.10 172.42 1n94 s ASP 297 N -3.34 -0.73 0.04 3.54 3.68 0.18 -4.86 116.67 115.18 1n94 s ASP 297 Ca 0.63 0.56 -0.07 0.00 2.13 0.00 0.00 52.55 55.80 1n94 s ASP 297 Cb -0.18 1.65 -0.02 0.00 -1.45 0.00 0.00 42.92 42.92 1n94 s ASP 297 CO 0.57 -0.14 0.58 0.61 0.13 0.00 0.00 175.17 176.93 1n94 n GLY 298 N 5.37 -1.31 0.51 2.66 0.00 -1.15 -0.52 105.19 110.75 1n94 n GLY 298 Ca -0.06 0.41 0.37 0.00 0.00 0.00 0.00 46.02 46.74 1n94 n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n94 n TYR 300 N -4.45 0.10 0.31 0.00 4.01 0.32 -1.95 117.16 115.49 1n94 n TYR 300 Ca 0.34 0.04 0.19 0.00 -0.16 0.00 0.00 57.90 58.31 1n94 n TYR 300 Cb 1.39 -0.56 1.03 0.00 -0.31 0.00 0.00 39.34 40.89 1n94 n TYR 300 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1n94 h SER 301 N 0.00 0.00 0.00 7.72 0.02 0.55 0.32 113.55 122.16 1n94 h SER 301 Ca 0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 1n94 h SER 301 Cb 0.21 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 1n94 h SER 301 CO 0.00 0.00 -2.31 0.33 -1.14 0.00 0.00 176.83 173.71 1n94 n PHE 302 N -3.34 0.00 -0.21 3.45 7.35 -0.82 -3.53 117.46 120.36 1n94 n PHE 302 Ca -0.02 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.66 1n94 n PHE 302 Cb 0.16 -0.87 0.09 0.00 0.35 0.00 0.00 39.48 39.22 1n94 n PHE 302 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1n94 h TRP 303 N -0.29 0.52 0.00 -5.13 -0.00 -1.33 1.07 115.95 110.80 1n94 h TRP 303 Ca -0.54 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.38 1n94 h TRP 303 Cb 1.70 -0.14 0.00 0.00 -0.00 0.00 0.00 29.16 30.72 1n94 h TRP 303 CO -0.01 0.21 -0.02 1.96 -0.00 0.00 0.00 178.44 180.58 1n94 h GLN 304 N 0.53 0.00 0.00 0.49 1.08 -0.63 -3.36 115.11 113.22 1n94 h GLN 304 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 1n94 h GLN 304 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1n94 h GLN 304 CO -0.23 0.00 0.09 0.00 -0.95 0.00 0.00 178.83 177.75 1n94 n ALA 305 N -2.28 0.82 0.16 3.87 0.00 -1.23 0.11 120.51 121.96 1n94 n ALA 305 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1n94 n ALA 305 Cb 0.01 -0.81 0.20 0.00 0.00 0.00 0.00 19.45 18.86 1n94 n ALA 305 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1n94 h GLY 306 N 0.00 0.00 0.96 0.00 0.00 0.11 -3.29 103.07 100.85 1n94 h GLY 306 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1n94 h GLY 306 CO 0.00 0.00 0.20 1.41 0.00 0.00 0.00 176.54 178.15 1n94 h LEU 307 N 0.00 0.48 -0.61 3.11 3.38 0.65 -3.27 115.31 119.06 1n94 h LEU 307 Ca -0.01 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1n94 h LEU 307 Cb 1.11 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 1n94 h LEU 307 CO 0.07 0.44 0.25 -0.07 0.09 0.00 0.00 178.44 179.22 1n94 h LEU 308 N 0.49 0.29 -1.95 1.67 3.38 -1.69 0.38 115.31 117.88 1n94 h LEU 308 Ca 0.13 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1n94 h LEU 308 Cb 0.07 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1n94 h LEU 308 CO -0.02 0.18 0.00 -0.65 0.09 0.00 0.00 178.44 178.04 1n94 h PRO 309 N 0.46 0.00 0.00 1.13 0.11 -1.75 0.56 132.00 132.51 1n94 h PRO 309 Ca 0.30 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.29 1n94 h PRO 309 Cb 0.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1n94 h PRO 309 CO -0.27 0.00 -0.99 1.28 -0.21 0.00 0.00 178.00 177.80 1n94 n LEU 310 N -2.53 1.85 0.02 2.35 4.77 0.12 -3.66 117.00 119.92 1n94 n LEU 310 Ca -0.02 0.51 0.22 0.00 -0.03 0.00 0.00 56.01 56.69 1n94 n LEU 310 Cb 0.05 -0.89 0.68 0.00 -2.33 0.00 0.00 43.42 40.93 1n94 n LEU 310 CO 0.13 -0.10 1.20 -0.07 -1.33 0.00 0.00 177.39 177.22 1n94 h LEU 311 N -1.00 0.00 0.52 2.23 3.38 0.58 0.14 115.31 121.16 1n94 h LEU 311 Ca -0.18 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1n94 h LEU 311 Cb 0.93 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.69 1n94 h LEU 311 CO -0.11 0.00 -0.25 -0.74 0.09 0.00 0.00 178.44 177.43 1n94 h HIS 312 N 0.00 -0.65 -0.84 1.13 2.76 -0.05 -1.69 115.15 115.81 1n94 h HIS 312 Ca 0.27 -0.02 0.24 0.00 -2.20 0.00 0.00 60.37 58.67 1n94 h HIS 312 Cb 1.52 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 30.66 1n94 h HIS 312 CO 0.00 -0.40 0.65 0.00 -1.30 0.00 0.00 177.93 176.88 1n94 h ARG 313 N -1.09 0.00 0.45 5.26 3.08 -0.90 -1.36 114.38 119.83 1n94 h ARG 313 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1n94 h ARG 313 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1n94 h ARG 313 CO 0.12 0.00 -0.22 0.00 -1.07 0.00 0.00 179.97 178.80 1n94 h ALA 314 N 1.49 -0.84 0.32 0.04 0.00 -0.81 -2.37 119.26 117.09 1n94 h ALA 314 Ca 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1n94 h ALA 314 Cb 1.70 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1n94 h ALA 314 CO -0.00 -0.79 -0.20 -0.07 0.00 0.00 0.00 179.25 178.18 1n94 h LEU 315 N -0.83 -0.50 -0.90 0.00 3.38 -0.58 0.70 115.31 116.57 1n94 h LEU 315 Ca -0.06 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.09 1n94 h LEU 315 Cb 0.47 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.21 1n94 h LEU 315 CO 0.10 -0.30 -0.31 1.57 0.09 0.00 0.00 178.44 179.59 1n94 n HIS 316 N -3.51 0.12 0.16 1.13 -0.00 -0.58 0.12 115.22 112.67 1n94 n HIS 316 Ca -0.06 1.11 -0.14 0.00 0.46 0.00 0.00 57.72 59.09 1n94 n HIS 316 Cb 0.20 -0.90 -0.07 0.00 -0.12 0.00 0.00 29.99 29.11 1n94 n HIS 316 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1n94 h ALA 317 N 1.43 -0.59 -0.35 1.57 0.00 -1.24 0.17 119.26 120.25 1n94 h ALA 317 Ca 0.35 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.29 1n94 h ALA 317 Cb 0.58 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1n94 h ALA 317 CO -0.91 -0.87 0.58 0.37 0.00 0.00 0.00 179.25 178.41 1n94 h GLN 318 N -0.59 0.00 -0.34 0.00 4.15 0.34 -3.44 115.11 115.23 1n94 h GLN 318 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1n94 h GLN 318 Cb 0.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1n94 h GLN 318 CO -0.11 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.20 1n94 n GLY 319 N -1.45 0.55 3.46 2.39 0.00 0.12 -5.07 105.19 105.19 1n94 n GLY 319 Ca 0.06 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1n94 n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n94 s ASP 320 N -1.43 4.79 0.00 1.61 3.68 -1.14 -4.99 116.67 119.19 1n94 s ASP 320 Ca 0.00 -0.19 0.00 0.00 2.13 0.00 0.00 52.55 54.49 1n94 s ASP 320 Cb 0.00 -1.81 0.00 0.00 -1.45 0.00 0.00 42.92 39.66 1n94 s ASP 320 CO 0.00 0.10 0.40 -0.81 0.13 0.00 0.00 175.17 174.98 1n94 n PRO 321 N 4.03 0.00 0.00 4.34 -0.04 -1.26 -4.20 135.00 137.87 1n94 n PRO 321 Ca -0.17 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1n94 n PRO 321 Cb 0.52 -0.92 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 1n94 n PRO 321 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n94 n ALA 322 N -0.68 0.00 -0.99 0.55 0.00 -1.26 -4.62 120.51 113.51 1n94 n ALA 322 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1n94 n ALA 322 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1n94 n ALA 322 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1n94 n LEU 323 N -2.53 0.16 0.00 0.00 4.77 -1.26 -4.88 117.00 113.26 1n94 n LEU 323 Ca 0.00 0.74 -0.27 0.00 -0.03 0.00 0.00 56.01 56.45 1n94 n LEU 323 Cb 0.00 -0.58 0.27 0.00 -2.33 0.00 0.00 43.42 40.77 1n94 n LEU 323 CO 0.00 -1.07 0.31 -0.24 -1.33 0.00 0.00 177.39 175.06 1n94 n SER 324 N 1.29 -3.99 0.00 -1.43 2.88 -1.26 -4.97 113.62 106.15 1n94 n SER 324 Ca 0.14 -0.79 0.00 0.00 -1.33 0.00 0.00 58.87 56.90 1n94 n SER 324 Cb 0.03 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1n94 n SER 324 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1n94 n MET 325 N -4.90 0.17 -0.02 -1.46 0.00 -1.26 -4.89 117.12 104.76 1n94 n MET 325 Ca 0.12 -0.38 -0.06 0.00 0.00 0.00 0.00 57.70 57.38 1n94 n MET 325 Cb 0.54 -0.57 -0.02 0.00 0.00 0.00 0.00 33.22 33.17 1n94 n MET 325 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1n94 n SER 326 N -0.04 1.04 -1.26 7.83 7.64 -1.26 -4.87 113.62 122.71 1n94 n SER 326 Ca 0.00 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1n94 n SER 326 Cb 0.35 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1n94 n SER 326 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1n94 n HIS 327 N -3.62 -0.10 -3.66 1.43 8.25 -1.26 -4.67 115.22 111.59 1n94 n HIS 327 Ca -0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.15 1n94 n HIS 327 Cb 0.37 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 1n94 n HIS 327 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1n94 s TRP 328 N -0.18 2.90 0.00 4.41 0.23 -1.26 -4.82 118.94 120.23 1n94 s TRP 328 Ca 0.00 -0.32 0.00 0.00 -2.03 0.00 0.00 56.10 53.75 1n94 s TRP 328 Cb 0.00 -1.93 0.00 0.00 0.03 0.00 0.00 33.47 31.57 1n94 s TRP 328 CO 0.00 0.06 1.83 -1.33 0.96 0.00 0.00 176.95 178.47 1n94 n MET 329 N -1.48 0.95 -3.93 4.98 2.81 -1.26 -4.79 117.12 114.40 1n94 n MET 329 Ca -0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 1n94 n MET 329 Cb 0.60 -1.03 -0.09 0.00 -0.71 0.00 0.00 33.22 31.99 1n94 n MET 329 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1n94 s PHE 330 N 0.10 0.21 -0.70 2.03 -0.71 -1.26 -4.89 117.98 112.76 1n94 s PHE 330 Ca 0.00 -0.54 -0.26 0.00 -1.04 0.00 0.00 56.93 55.09 1n94 s PHE 330 Cb 0.00 -0.14 -0.07 0.00 -1.21 0.00 0.00 43.02 41.60 1n94 s PHE 330 CO 0.00 -0.39 2.16 -1.58 -1.34 0.00 0.00 175.22 174.06 1n94 s HIS 331 N -2.85 1.42 0.28 3.49 5.65 -1.26 -4.77 115.29 117.25 1n94 s HIS 331 Ca -0.03 1.24 0.01 0.00 0.25 0.00 0.00 55.06 56.53 1n94 s HIS 331 Cb 0.00 -3.79 0.41 0.00 -1.18 0.00 0.00 32.58 28.02 1n94 s HIS 331 CO -0.06 -2.04 1.76 1.96 -0.65 0.00 0.00 174.74 175.71 1n94 h GLN 332 N 14.67 0.62 0.41 2.88 4.20 -1.90 -2.77 115.11 133.22 1n94 h GLN 332 Ca -0.10 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.40 1n94 h GLN 332 Cb 1.11 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1n94 h GLN 332 CO 1.15 0.72 -0.20 0.37 -0.67 0.00 0.00 178.83 180.20 1n94 h GLN 333 N 0.57 -0.53 0.00 1.46 4.15 -1.86 -2.41 115.11 116.49 1n94 h GLN 333 Ca 0.10 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1n94 h GLN 333 Cb 0.52 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1n94 h GLN 333 CO 0.03 -0.35 0.46 0.00 -1.93 0.00 0.00 178.83 177.04 1n94 h ALA 334 N -1.52 1.40 0.00 3.38 0.00 -1.88 0.62 119.26 121.26 1n94 h ALA 334 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1n94 h ALA 334 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1n94 h ALA 334 CO 0.09 -0.40 -0.30 1.25 0.00 0.00 0.00 179.25 179.90 1n94 h LEU 335 N 0.00 0.00 -0.97 0.00 5.85 -1.37 -3.21 115.31 115.61 1n94 h LEU 335 Ca 0.00 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.31 1n94 h LEU 335 Cb 0.91 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 1n94 h LEU 335 CO 0.00 0.90 0.63 1.56 -0.34 0.00 0.00 178.44 181.19 1n94 h GLN 336 N -1.00 1.17 0.00 1.25 4.20 -0.40 0.16 115.11 120.48 1n94 h GLN 336 Ca -0.06 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1n94 h GLN 336 Cb 0.67 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1n94 h GLN 336 CO -0.04 0.77 0.00 0.39 -0.67 0.00 0.00 178.83 179.29 1n94 n GLU 337 N -4.48 0.04 -0.07 1.46 1.02 0.19 -0.96 120.64 117.84 1n94 n GLU 337 Ca 0.14 0.29 -0.14 0.00 -0.02 0.00 0.00 57.16 57.42 1n94 n GLU 337 Cb 0.12 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.99 1n94 n GLU 337 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1n94 n TYR 338 N -1.32 0.00 -0.33 -0.32 9.36 0.36 -3.83 117.16 121.08 1n94 n TYR 338 Ca 0.02 0.00 0.21 0.00 3.32 0.00 0.00 57.90 61.45 1n94 n TYR 338 Cb 0.03 -0.52 0.48 0.00 -0.63 0.00 0.00 39.34 38.70 1n94 n TYR 338 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1n94 h ILE 339 N -0.61 0.54 0.10 2.97 2.04 -0.70 0.49 117.51 122.34 1n94 h ILE 339 Ca -0.30 -0.15 -0.17 0.00 1.00 0.00 0.00 64.86 65.24 1n94 h ILE 339 Cb 1.14 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1n94 h ILE 339 CO -0.18 0.08 -0.78 -0.07 0.00 0.00 0.00 178.15 177.20 1n94 h LEU 340 N 0.45 0.33 0.00 1.44 3.38 -1.29 -2.84 115.31 116.78 1n94 h LEU 340 Ca 0.60 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1n94 h LEU 340 Cb 1.41 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1n94 h LEU 340 CO -0.33 1.36 -0.37 0.23 0.09 0.00 0.00 178.44 179.42 1n94 n MET 341 N -4.21 0.02 0.00 1.13 2.81 -0.92 -4.43 117.12 111.52 1n94 n MET 341 Ca -0.16 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 1n94 n MET 341 Cb 0.76 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 1n94 n MET 341 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1n94 s GLN 344 N -0.89 3.81 -0.10 0.00 -0.21 -1.23 0.69 119.66 121.72 1n94 s GLN 344 Ca 0.07 0.25 -0.10 0.00 0.02 0.00 0.00 55.36 55.60 1n94 s GLN 344 Cb 0.06 -2.95 -0.05 0.00 1.00 0.00 0.00 33.01 31.07 1n94 s GLN 344 CO 0.14 0.52 0.22 0.00 -2.12 0.00 0.00 175.29 174.05 1n94 h PRO 346 N 5.18 -0.35 -0.78 0.00 0.11 -1.98 -1.33 132.00 132.85 1n94 h PRO 346 Ca -0.52 0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1n94 h PRO 346 Cb 1.22 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 1n94 h PRO 346 CO 0.62 -0.23 0.52 0.00 -0.21 0.00 0.00 178.00 178.69 1n94 h ALA 347 N 0.50 0.99 0.00 -0.75 0.00 -1.97 -3.48 119.26 114.54 1n94 h ALA 347 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n94 h ALA 347 Cb 0.43 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1n94 h ALA 347 CO -0.18 0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1n94 n GLY 348 N -1.31 3.11 0.54 0.00 0.00 -0.50 -4.80 105.19 102.23 1n94 n GLY 348 Ca 0.08 -1.40 0.07 0.00 0.00 0.00 0.00 46.02 44.77 1n94 n GLY 348 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n94 n GLY 349 N -1.59 -2.77 3.92 -0.02 0.00 -1.26 -4.27 105.19 99.20 1n94 n GLY 349 Ca 0.00 -1.31 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 1n94 n GLY 349 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n94 s LEU 350 N -5.35 2.92 0.00 0.99 1.02 -1.26 -0.33 118.68 116.66 1n94 s LEU 350 Ca 0.00 -1.07 -0.04 0.00 0.02 0.00 0.00 54.13 53.04 1n94 s LEU 350 Cb 0.00 -1.44 0.01 0.00 0.02 0.00 0.00 46.19 44.78 1n94 s LEU 350 CO 0.00 -1.05 0.38 0.00 0.02 0.00 0.00 176.35 175.70 1n94 n LEU 351 N -1.80 0.00 0.00 1.79 -0.00 0.22 -3.75 117.00 113.45 1n94 n LEU 351 Ca 0.03 -1.82 0.00 0.00 -0.00 0.00 0.00 56.01 54.21 1n94 n LEU 351 Cb 0.63 1.91 0.00 0.00 -0.00 0.00 0.00 43.42 45.96 1n94 n LEU 351 CO 0.40 -0.47 0.01 -0.67 -0.00 0.00 0.00 177.39 176.66 1n94 n ASP 352 N -1.67 0.00 -4.28 1.45 -0.08 -1.26 -4.41 116.55 106.30 1n94 n ASP 352 Ca -0.01 0.02 -0.15 0.00 -1.51 0.00 0.00 54.79 53.13 1n94 n ASP 352 Cb 0.39 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.75 1n94 n ASP 352 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1n94 s LYS 353 N -0.05 1.16 -0.21 -0.67 -2.85 -1.26 -2.92 119.74 112.94 1n94 s LYS 353 Ca 0.00 -1.51 -0.41 0.00 -1.00 0.00 0.00 55.97 53.04 1n94 s LYS 353 Cb 0.00 -0.72 -0.18 0.00 -2.06 0.00 0.00 37.83 34.87 1n94 s LYS 353 CO 0.00 0.07 1.48 -2.30 0.10 0.00 0.00 175.35 174.70 1n94 n PRO 354 N -0.27 0.57 -1.28 1.78 -0.02 -1.13 -3.34 135.00 131.30 1n94 n PRO 354 Ca -0.09 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1n94 n PRO 354 Cb 0.61 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1n94 n PRO 354 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n94 n GLY 355 N 3.23 0.44 3.50 -1.23 0.00 -1.26 -5.08 105.19 104.79 1n94 n GLY 355 Ca 0.25 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1n94 n GLY 355 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n94 s LYS 356 N -2.86 0.56 -0.41 1.61 2.20 -1.21 -5.10 119.74 114.53 1n94 s LYS 356 Ca 0.00 1.29 -0.28 0.00 -0.36 0.00 0.00 55.97 56.62 1n94 s LYS 356 Cb 0.00 0.77 -0.13 0.00 -1.51 0.00 0.00 37.83 36.95 1n94 s LYS 356 CO 0.00 -0.31 1.54 -1.13 -0.36 0.00 0.00 175.35 175.09 1n94 n SER 357 N 5.43 0.45 -4.60 1.43 3.41 -1.26 -4.63 113.62 113.84 1n94 n SER 357 Ca -0.09 0.40 -0.38 0.00 -0.26 0.00 0.00 58.87 58.54 1n94 n SER 357 Cb 0.50 -0.62 0.05 0.00 -0.26 0.00 0.00 64.21 63.88 1n94 n SER 357 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1n94 n ARG 358 N 5.26 0.85 -3.65 4.33 1.85 -1.26 -4.91 116.66 119.13 1n94 n ARG 358 Ca 0.39 0.33 -0.14 0.00 -1.00 0.00 0.00 57.85 57.43 1n94 n ARG 358 Cb -0.02 -2.12 -0.08 0.00 -1.05 0.00 0.00 32.46 29.19 1n94 n ARG 358 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1n94 s ASP 359 N -1.25 -0.61 0.64 2.89 1.47 -1.25 -5.04 116.67 113.52 1n94 s ASP 359 Ca 0.75 1.10 0.18 0.00 1.18 0.00 0.00 52.55 55.76 1n94 s ASP 359 Cb -0.42 1.10 0.87 0.00 -0.34 0.00 0.00 42.92 44.13 1n94 s ASP 359 CO 0.48 -0.28 1.46 -0.26 0.68 0.00 0.00 175.17 177.24 1n94 h PHE 360 N 4.81 0.00 0.00 2.11 0.04 -1.95 -0.82 116.94 121.13 1n94 h PHE 360 Ca -0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1n94 h PHE 360 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1n94 h PHE 360 CO 0.40 0.00 0.00 0.98 -0.60 0.00 0.00 178.31 179.09 1n94 n TYR 361 N -2.94 0.00 -0.15 -0.55 9.36 -1.26 -2.49 117.16 119.13 1n94 n TYR 361 Ca 0.05 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.18 1n94 n TYR 361 Cb 0.88 -0.31 -0.04 0.00 -0.63 0.00 0.00 39.34 39.24 1n94 n TYR 361 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1n94 h HIS 362 N 0.00 -1.23 -0.51 2.98 3.86 -1.64 0.97 115.15 119.58 1n94 h HIS 362 Ca 0.00 0.07 0.15 0.00 -1.16 0.00 0.00 60.37 59.43 1n94 h HIS 362 Cb 0.00 0.60 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 1n94 h HIS 362 CO 0.09 -0.43 1.07 2.41 0.86 0.00 0.00 177.93 181.93 1n94 n THR 363 N -5.41 0.00 0.00 2.45 -1.04 -0.40 0.15 114.28 110.03 1n94 n THR 363 Ca 0.00 1.08 0.00 0.00 -2.04 0.00 0.00 64.05 63.10 1n94 n THR 363 Cb 0.35 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 1n94 n THR 363 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n94 h TYR 365 N 0.00 0.00 0.00 0.00 0.05 -0.29 -0.30 116.97 116.44 1n94 h TYR 365 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 1n94 h TYR 365 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1n94 h TYR 365 CO 0.00 0.00 -0.45 0.00 -1.05 0.00 0.00 178.16 176.66 1n94 n LEU 367 N -3.33 2.09 -0.32 0.00 4.77 -0.51 -3.67 117.00 116.03 1n94 n LEU 367 Ca 0.01 0.36 0.22 0.00 -0.03 0.00 0.00 56.01 56.57 1n94 n LEU 367 Cb 0.64 -1.01 0.49 0.00 -2.33 0.00 0.00 43.42 41.21 1n94 n LEU 367 CO 0.39 0.45 1.21 0.28 -1.33 0.00 0.00 177.39 178.39 1n94 h SER 368 N -0.68 0.48 0.37 -1.43 0.02 -1.14 1.64 113.55 112.80 1n94 h SER 368 Ca -0.37 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1n94 h SER 368 Cb 1.52 0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.07 1n94 h SER 368 CO -0.12 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.28 1n94 n GLY 369 N -1.46 -0.90 0.13 -3.77 0.00 -0.80 -2.02 105.19 96.37 1n94 n GLY 369 Ca 0.25 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1n94 n GLY 369 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1n94 n LEU 370 N -1.31 2.71 -0.07 0.99 7.94 0.55 -3.72 117.00 124.09 1n94 n LEU 370 Ca 0.08 0.01 -0.07 0.00 -1.11 0.00 0.00 56.01 54.92 1n94 n LEU 370 Cb 0.15 -0.93 -0.01 0.00 0.53 0.00 0.00 43.42 43.17 1n94 n LEU 370 CO 0.14 0.84 0.86 -1.28 -1.11 0.00 0.00 177.39 176.84 1n94 h SER 371 N -0.20 -0.10 -0.12 1.96 0.87 -0.92 -0.42 113.55 114.61 1n94 h SER 371 Ca -0.57 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.08 1n94 h SER 371 Cb 1.85 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 63.85 1n94 h SER 371 CO -0.13 -0.02 -0.53 0.40 -0.53 0.00 0.00 176.83 176.02 1n94 h ILE 372 N 0.08 0.02 0.00 2.23 1.08 -1.59 -0.20 117.51 119.13 1n94 h ILE 372 Ca 0.13 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.60 1n94 h ILE 372 Cb 0.17 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.94 1n94 h ILE 372 CO -0.22 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.24 1n94 h ALA 373 N -0.26 1.00 0.02 1.87 0.00 -1.49 -2.91 119.26 117.49 1n94 h ALA 373 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.59 1n94 h ALA 373 Cb 0.68 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1n94 h ALA 373 CO -0.42 0.00 -2.21 1.04 0.00 0.00 0.00 179.25 177.66 1n94 n GLN 374 N -2.48 0.68 -4.10 0.00 6.02 -0.22 -4.66 117.38 112.61 1n94 n GLN 374 Ca -0.01 0.13 -0.31 0.00 -0.01 0.00 0.00 57.00 56.80 1n94 n GLN 374 Cb 0.08 -1.61 -0.07 0.00 1.02 0.00 0.00 30.24 29.66 1n94 n GLN 374 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1n94 s HIS 375 N -2.53 3.10 -0.02 1.08 3.76 -0.20 -0.43 115.29 120.05 1n94 s HIS 375 Ca -0.16 0.04 -0.01 0.00 -0.15 0.00 0.00 55.06 54.77 1n94 s HIS 375 Cb 0.07 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 32.18 1n94 s HIS 375 CO 0.77 0.50 0.05 0.12 -0.85 0.00 0.00 174.74 175.32 1n94 s PHE 376 N -1.33 -0.04 -0.36 1.40 2.19 -1.24 -4.80 117.98 113.79 1n94 s PHE 376 Ca 0.27 0.13 0.13 0.00 0.33 0.00 0.00 56.93 57.79 1n94 s PHE 376 Cb -0.12 -0.03 0.42 0.00 -1.31 0.00 0.00 43.02 41.98 1n94 s PHE 376 CO 0.19 -0.04 1.28 0.41 1.83 0.00 0.00 175.22 178.90 1n94 n GLY 377 N 3.29 1.52 3.49 13.12 0.00 -1.26 -3.28 105.19 122.07 1n94 n GLY 377 Ca -0.15 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 1n94 n GLY 377 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n94 s SER 378 N -1.78 6.50 0.00 1.61 0.15 -1.26 -4.81 113.70 114.12 1n94 s SER 378 Ca 0.21 -1.62 0.00 0.00 0.70 0.00 0.00 55.95 55.24 1n94 s SER 378 Cb 0.42 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 1n94 s SER 378 CO -0.06 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 173.68 1n94 n GLY 379 N 5.94 -0.87 0.28 9.45 0.00 -1.26 -4.57 105.19 114.16 1n94 n GLY 379 Ca 0.22 -2.22 0.18 0.00 0.00 0.00 0.00 46.02 44.20 1n94 n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n94 h ALA 380 N 0.00 1.00 -2.28 4.61 0.00 -2.03 -3.44 119.26 117.12 1n94 h ALA 380 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1n94 h ALA 380 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.83 1n94 h ALA 380 CO 0.00 0.00 0.38 0.00 0.00 0.00 0.00 179.25 179.63 1n94 s MET 381 N -3.73 3.59 0.02 0.00 0.00 -1.26 -5.09 119.30 112.82 1n94 s MET 381 Ca 0.00 1.03 -0.07 0.00 0.00 0.00 0.00 55.69 56.65 1n94 s MET 381 Cb 0.10 -2.08 -0.00 0.00 0.00 0.00 0.00 34.83 32.85 1n94 s MET 381 CO 0.51 -0.57 0.13 -0.51 0.00 0.00 0.00 175.02 174.57 1n94 s LEU 382 N -4.46 1.62 -0.30 0.18 1.43 -1.26 -4.03 118.68 111.85 1n94 s LEU 382 Ca 0.60 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 53.31 1n94 s LEU 382 Cb -0.13 0.67 0.18 0.00 0.03 0.00 0.00 46.19 46.94 1n94 s LEU 382 CO 0.38 -0.43 0.79 -2.28 0.23 0.00 0.00 176.35 175.04 1n94 s HIS 383 N -1.84 -1.14 0.68 0.29 2.46 -1.20 -5.05 115.29 109.48 1n94 s HIS 383 Ca -0.11 1.34 -0.02 0.00 0.47 0.00 0.00 55.06 56.74 1n94 s HIS 383 Cb -0.05 0.45 0.09 0.00 -0.13 0.00 0.00 32.58 32.93 1n94 s HIS 383 CO -0.01 -0.61 0.94 -0.51 -2.47 0.00 0.00 174.74 172.08 1n94 s ASP 384 N 2.85 4.67 -0.46 9.88 -0.00 -1.26 -3.63 116.67 128.72 1n94 s ASP 384 Ca 0.09 -0.07 0.05 0.00 -0.00 0.00 0.00 52.55 52.63 1n94 s ASP 384 Cb -0.12 -0.50 0.18 0.00 -0.00 0.00 0.00 42.92 42.48 1n94 s ASP 384 CO -0.17 -1.63 0.53 0.52 -0.00 0.00 0.00 175.17 174.42 1n94 n VAL 385 N -2.74 -0.64 -2.90 -1.27 0.31 0.43 -5.00 118.33 106.52 1n94 n VAL 385 Ca 0.11 -2.33 -0.43 0.00 -0.01 0.00 0.00 64.34 61.68 1n94 n VAL 385 Cb 0.60 -0.42 -0.04 0.00 -0.91 0.00 0.00 33.84 33.07 1n94 n VAL 385 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1n94 s VAL 386 N 0.39 4.42 0.61 2.52 1.01 -1.26 -4.53 120.40 123.55 1n94 s VAL 386 Ca 0.32 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 1n94 s VAL 386 Cb 0.03 -4.62 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1n94 s VAL 386 CO -0.13 -1.33 1.02 -0.04 0.00 0.00 0.00 175.10 174.62 1n94 s MET 387 N 3.81 3.61 1.63 2.72 -1.94 -1.26 -4.86 119.30 123.01 1n94 s MET 387 Ca 0.22 0.80 0.00 0.00 -1.71 0.00 0.00 55.69 55.00 1n94 s MET 387 Cb -0.17 -2.08 0.00 0.00 2.01 0.00 0.00 34.83 34.58 1n94 s MET 387 CO 0.11 -0.56 0.00 0.41 -0.01 0.00 0.00 175.02 174.97 1n94 n GLY 388 N -2.49 -1.72 3.76 -0.03 0.00 -1.26 -4.84 105.19 98.61 1n94 n GLY 388 Ca 0.06 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 1n94 n GLY 388 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n94 s VAL 389 N 0.00 3.48 -0.67 1.61 -7.23 -0.94 -4.88 120.40 111.78 1n94 s VAL 389 Ca 0.00 1.43 0.00 0.00 -1.81 0.00 0.00 61.98 61.60 1n94 s VAL 389 Cb 0.00 -3.88 0.00 0.00 0.56 0.00 0.00 36.38 33.06 1n94 s VAL 389 CO 0.00 0.29 0.49 -2.65 -0.31 0.00 0.00 175.10 172.92 1n94 n PRO 390 N 0.94 0.00 -1.16 4.82 -0.02 -1.26 -0.38 135.00 137.94 1n94 n PRO 390 Ca 0.00 0.12 -0.18 0.00 -2.02 0.00 0.00 63.50 61.42 1n94 n PRO 390 Cb 0.45 -1.64 0.22 0.00 -0.02 0.00 0.00 33.50 32.51 1n94 n PRO 390 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1n94 n GLU 391 N -0.99 2.74 -0.03 -0.52 4.71 -1.26 -4.16 120.64 121.13 1n94 n GLU 391 Ca 0.00 -3.04 0.01 0.00 -0.01 0.00 0.00 57.16 54.12 1n94 n GLU 391 Cb 0.14 -2.19 0.03 0.00 -1.01 0.00 0.00 31.44 28.41 1n94 n GLU 391 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1n94 n ASN 392 N -0.82 1.90 -4.66 1.62 3.02 0.49 -4.71 115.26 112.10 1n94 n ASN 392 Ca 0.53 -1.71 -0.43 0.00 -0.03 0.00 0.00 54.58 52.94 1n94 n ASN 392 Cb 1.58 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 40.69 1n94 n ASN 392 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n94 s VAL 393 N -0.75 4.66 0.61 2.41 1.01 -1.26 -5.02 120.40 122.07 1n94 s VAL 393 Ca 0.05 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.03 1n94 s VAL 393 Cb 0.03 -4.32 0.06 0.00 0.00 0.00 0.00 36.38 32.15 1n94 s VAL 393 CO 0.04 -0.20 0.86 -0.76 0.00 0.00 0.00 175.10 175.03 1n94 s LEU 394 N 3.24 3.14 0.55 3.92 1.43 -1.26 -5.01 118.68 124.69 1n94 s LEU 394 Ca 0.44 -0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 53.29 1n94 s LEU 394 Cb -0.15 -2.63 -0.06 0.00 0.03 0.00 0.00 46.19 43.38 1n94 s LEU 394 CO 0.07 -1.39 1.04 -1.10 0.23 0.00 0.00 176.35 175.20 1n94 s GLN 395 N -4.91 3.57 0.93 1.70 -1.52 -0.29 -5.01 119.66 114.13 1n94 s GLN 395 Ca 0.60 1.20 -0.10 0.00 -1.95 0.00 0.00 55.36 55.11 1n94 s GLN 395 Cb -0.09 -2.07 0.15 0.00 -0.22 0.00 0.00 33.01 30.79 1n94 s GLN 395 CO 0.41 -0.60 1.13 -0.35 -0.25 0.00 0.00 175.29 175.62 1n94 n PRO 396 N -1.65 -0.56 -4.04 2.91 -0.04 -1.26 -4.82 135.00 125.54 1n94 n PRO 396 Ca 0.08 -0.10 -0.18 0.00 -0.04 0.00 0.00 63.50 63.26 1n94 n PRO 396 Cb 0.53 -2.36 -0.16 0.00 -0.04 0.00 0.00 33.50 31.47 1n94 n PRO 396 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1n94 s THR 397 N -2.62 0.34 0.11 0.52 2.01 -1.26 -4.09 115.64 110.64 1n94 s THR 397 Ca 0.67 -0.02 -0.31 0.00 0.31 0.00 0.00 61.69 62.34 1n94 s THR 397 Cb -0.23 -0.40 -0.09 0.00 0.01 0.00 0.00 72.50 71.79 1n94 s THR 397 CO 0.59 0.18 1.67 -2.28 -0.69 0.00 0.00 174.62 174.08 1n94 s HIS 398 N 0.93 2.53 0.56 4.92 2.46 -0.34 -4.78 115.29 121.57 1n94 s HIS 398 Ca -0.11 0.32 0.29 0.00 0.47 0.00 0.00 55.06 56.03 1n94 s HIS 398 Cb -0.14 -4.00 1.46 0.00 -0.13 0.00 0.00 32.58 29.77 1n94 s HIS 398 CO -0.01 -3.97 1.93 -1.00 -2.47 0.00 0.00 174.74 169.22 1n94 h PRO 399 N 7.98 0.00 0.00 2.88 0.13 -1.93 0.24 132.00 141.29 1n94 h PRO 399 Ca -0.43 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.57 1n94 h PRO 399 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1n94 h PRO 399 CO 0.93 0.00 -1.98 0.28 -0.23 0.00 0.00 178.00 177.00 1n94 n VAL 400 N -4.08 0.50 0.12 1.56 0.31 -1.26 -4.66 118.33 110.82 1n94 n VAL 400 Ca 0.12 -0.55 0.02 0.00 -0.01 0.00 0.00 64.34 63.92 1n94 n VAL 400 Cb 0.73 -0.19 -0.03 0.00 -0.91 0.00 0.00 33.84 33.45 1n94 n VAL 400 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1n94 n TYR 401 N -2.35 0.00 -3.58 3.52 4.01 -1.09 -4.99 117.16 112.69 1n94 n TYR 401 Ca -0.14 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.38 1n94 n TYR 401 Cb 0.73 -0.05 0.08 0.00 -0.31 0.00 0.00 39.34 39.79 1n94 n TYR 401 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1n94 n ASN 402 N -1.35 -4.93 -3.93 7.72 2.85 0.82 -4.97 115.26 111.47 1n94 n ASN 402 Ca 0.00 -0.59 -0.09 0.00 -0.11 0.00 0.00 54.58 53.79 1n94 n ASN 402 Cb 0.09 -4.96 -0.09 0.00 1.24 0.00 0.00 39.78 36.06 1n94 n ASN 402 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1n94 s ILE 403 N -3.34 0.14 -0.14 -1.44 -4.36 -1.26 -4.81 121.20 106.00 1n94 s ILE 403 Ca 0.41 -1.18 -0.13 0.00 -0.26 0.00 0.00 60.65 59.49 1n94 s ILE 403 Cb -0.18 -1.04 -0.06 0.00 1.25 0.00 0.00 42.46 42.43 1n94 s ILE 403 CO 0.74 -0.65 0.57 0.61 0.24 0.00 0.00 174.94 176.44 1n94 n GLY 404 N 0.55 -0.01 0.12 6.27 0.00 -1.26 -1.20 105.19 109.66 1n94 n GLY 404 Ca -0.18 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.21 1n94 n GLY 404 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n94 n PRO 405 N 1.82 0.07 -0.13 1.61 -0.02 -1.26 -0.42 135.00 136.68 1n94 n PRO 405 Ca 0.14 0.52 -0.18 0.00 -2.02 0.00 0.00 63.50 61.95 1n94 n PRO 405 Cb -0.01 -1.96 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 1n94 n PRO 405 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1n94 n ASP 406 N -1.90 1.98 0.30 2.55 5.75 -1.26 -3.76 116.55 120.21 1n94 n ASP 406 Ca -0.01 -0.13 0.20 0.00 -0.01 0.00 0.00 54.79 54.84 1n94 n ASP 406 Cb 0.23 -0.42 1.02 0.00 -1.03 0.00 0.00 41.12 40.93 1n94 n ASP 406 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1n94 h LYS 407 N -0.01 0.00 0.07 0.11 1.79 -1.05 -0.43 116.57 117.04 1n94 h LYS 407 Ca -0.58 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 57.88 1n94 h LYS 407 Cb 1.90 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.55 1n94 h LYS 407 CO -0.09 0.00 -0.03 0.28 -1.08 0.00 0.00 179.45 178.52 1n94 h VAL 408 N 0.00 0.96 -0.95 0.50 2.07 -1.24 -2.02 116.25 115.56 1n94 h VAL 408 Ca 0.00 -1.48 0.08 0.00 0.82 0.00 0.00 66.70 66.12 1n94 h VAL 408 Cb 0.14 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 1n94 h VAL 408 CO 0.00 0.29 0.60 0.40 0.02 0.00 0.00 177.57 178.88 1n94 h ILE 409 N -0.93 1.02 0.55 4.57 2.04 -1.51 -2.10 117.51 121.15 1n94 h ILE 409 Ca -0.01 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1n94 h ILE 409 Cb 0.55 -0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1n94 h ILE 409 CO 0.02 0.19 -0.26 -0.61 0.00 0.00 0.00 178.15 177.48 1n94 h GLN 410 N 1.04 -0.71 -0.80 2.37 4.15 -1.19 -1.39 115.11 118.58 1n94 h GLN 410 Ca 0.43 0.05 0.12 0.00 0.77 0.00 0.00 58.65 60.01 1n94 h GLN 410 Cb 0.26 0.16 -0.13 0.00 0.21 0.00 0.00 27.48 27.98 1n94 h GLN 410 CO -0.20 -0.41 -0.42 0.00 -1.93 0.00 0.00 178.83 175.86 1n94 h ALA 411 N -0.55 -0.13 0.05 3.38 0.00 -0.89 -1.66 119.26 119.46 1n94 h ALA 411 Ca -0.07 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1n94 h ALA 411 Cb 0.62 1.02 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1n94 h ALA 411 CO 0.12 -0.75 -0.02 1.79 0.00 0.00 0.00 179.25 180.39 1n94 h THR 412 N -0.10 1.17 0.00 0.00 1.35 -1.44 -2.53 112.91 111.36 1n94 h THR 412 Ca 0.25 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1n94 h THR 412 Cb 0.55 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1n94 h THR 412 CO -0.84 0.18 0.00 0.41 -0.25 0.00 0.00 175.52 175.02 1n94 n THR 413 N -4.97 0.00 0.00 6.82 -1.04 -0.53 -1.85 114.28 112.72 1n94 n THR 413 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1n94 n THR 413 Cb 0.19 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 1n94 n THR 413 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1n94 n HIS 414 N -0.39 0.00 -0.06 -1.42 -0.00 -0.79 -4.73 115.22 107.82 1n94 n HIS 414 Ca 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 57.72 57.97 1n94 n HIS 414 Cb 0.00 0.00 0.71 0.00 -0.00 0.00 0.00 29.99 30.70 1n94 n HIS 414 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 1n94 h PHE 415 N 0.00 0.00 -0.86 1.57 0.04 -1.28 -0.57 116.94 115.84 1n94 h PHE 415 Ca 0.00 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.90 1n94 h PHE 415 Cb 0.00 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.09 1n94 h PHE 415 CO 0.00 0.00 0.56 -0.07 -0.60 0.00 0.00 178.31 178.20 1n94 h LEU 416 N 0.00 0.65 -3.70 1.54 3.38 -1.65 -2.57 115.31 112.96 1n94 h LEU 416 Ca 0.33 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 1n94 h LEU 416 Cb 1.59 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 1n94 h LEU 416 CO -0.00 0.35 0.01 0.00 0.09 0.00 0.00 178.44 178.88 1n94 n GLN 417 N -4.54 0.62 0.00 1.13 6.02 -0.22 -5.14 117.38 115.25 1n94 n GLN 417 Ca 0.16 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1n94 n GLN 417 Cb 0.43 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1n94 n GLN 417 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68