#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k36 n ALA 2 N 0.00 3.88 -0.57 3.17 0.00 -1.26 -4.76 120.51 120.98 2k36 n ALA 2 Ca 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 53.44 49.65 2k36 n ALA 2 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 15.86 2k36 n ALA 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k36 n THR 3 N 6.19 0.00 -3.61 0.00 -1.04 -1.26 -4.62 114.28 109.94 2k36 n THR 3 Ca 0.49 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.43 2k36 n THR 3 Cb 0.44 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.90 2k36 n THR 3 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2k36 s LYS 4 N 0.00 0.40 0.39 -2.82 2.20 -1.26 -5.09 119.74 113.56 2k36 s LYS 4 Ca 0.00 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 2k36 s LYS 4 Cb 0.00 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 2k36 s LYS 4 CO 0.00 -0.11 0.00 1.47 -0.36 0.00 0.00 175.35 176.35 2k36 n LEU 5 N 0.98 -2.82 -3.70 5.43 -0.00 -1.12 -4.49 117.00 111.28 2k36 n LEU 5 Ca -0.08 0.73 -0.39 0.00 -0.00 0.00 0.00 56.01 56.27 2k36 n LEU 5 Cb 0.58 2.70 -0.00 0.00 -0.00 0.00 0.00 43.42 46.70 2k36 n LEU 5 CO 0.10 -0.06 1.05 0.47 -0.00 0.00 0.00 177.39 178.96 2k36 n ASP 6 N -3.39 6.35 -3.84 1.45 9.92 -1.26 -4.31 116.55 121.47 2k36 n ASP 6 Ca 0.00 -3.55 -0.18 0.00 -0.53 0.00 0.00 54.79 50.53 2k36 n ASP 6 Cb 0.00 -1.10 -0.16 0.00 -0.64 0.00 0.00 41.12 39.21 2k36 n ASP 6 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2k36 s TYR 7 N -3.43 0.46 -0.03 1.24 2.02 -1.26 -5.08 117.35 111.28 2k36 s TYR 7 Ca 0.37 -0.07 -0.03 0.00 -0.37 0.00 0.00 57.07 56.97 2k36 s TYR 7 Cb 0.14 -0.50 -0.01 0.00 -0.40 0.00 0.00 41.96 41.19 2k36 s TYR 7 CO -0.02 -0.15 -0.05 0.39 -1.57 0.00 0.00 175.55 174.15 2k36 n GLU 8 N 4.13 0.08 -3.93 -0.62 -0.58 -1.26 -4.56 120.64 113.90 2k36 n GLU 8 Ca -0.25 0.03 -0.26 0.00 -0.42 0.00 0.00 57.16 56.26 2k36 n GLU 8 Cb 0.50 -0.61 -0.01 0.00 -0.57 0.00 0.00 31.44 30.75 2k36 n GLU 8 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2k36 n ASP 9 N -2.81 -1.17 -3.30 1.62 2.03 -1.26 -4.76 116.55 106.89 2k36 n ASP 9 Ca -0.02 -0.95 -0.29 0.00 0.52 0.00 0.00 54.79 54.05 2k36 n ASP 9 Cb 0.08 -3.28 -0.03 0.00 -0.72 0.00 0.00 41.12 37.17 2k36 n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k36 n ALA 10 N -4.40 4.60 -0.27 -1.67 0.00 -1.26 -4.60 120.51 112.92 2k36 n ALA 10 Ca -0.24 -2.45 0.08 0.00 0.00 0.00 0.00 53.44 50.83 2k36 n ALA 10 Cb 0.65 -3.18 0.22 0.00 0.00 0.00 0.00 19.45 17.13 2k36 n ALA 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2k36 h VAL 11 N 3.67 0.50 -3.22 0.00 3.04 -2.01 -3.42 116.25 114.79 2k36 h VAL 11 Ca 0.51 -0.11 -0.58 0.00 -1.01 0.00 0.00 66.70 65.51 2k36 h VAL 11 Cb 0.30 0.16 0.15 0.00 -2.01 0.00 0.00 31.29 29.89 2k36 h VAL 11 CO 1.60 0.06 0.03 2.22 -1.01 0.00 0.00 177.57 180.47 2k36 n PHE 12 N -5.12 0.65 -0.04 3.17 1.16 -1.26 -4.95 117.46 111.06 2k36 n PHE 12 Ca 0.17 0.49 -0.07 0.00 -1.87 0.00 0.00 57.45 56.16 2k36 n PHE 12 Cb 0.52 -2.14 -0.04 0.00 -1.61 0.00 0.00 39.48 36.21 2k36 n PHE 12 CO 0.00 0.00 0.00 0.98 -1.87 0.00 0.00 176.76 175.87 2k36 n TYR 13 N -1.20 0.00 1.32 2.97 9.36 -1.26 -4.55 117.16 123.79 2k36 n TYR 13 Ca 0.11 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.47 2k36 n TYR 13 Cb 0.44 -0.34 0.57 0.00 -0.63 0.00 0.00 39.34 39.38 2k36 n TYR 13 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2k36 n PHE 14 N -2.95 0.00 -0.34 2.98 3.72 -1.26 -3.88 117.46 115.73 2k36 n PHE 14 Ca -0.16 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.30 2k36 n PHE 14 Cb 0.66 -0.22 0.16 0.00 -0.94 0.00 0.00 39.48 39.14 2k36 n PHE 14 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 2k36 h VAL 15 N 0.48 0.04 -0.12 -4.37 3.04 -1.97 -1.64 116.25 111.71 2k36 h VAL 15 Ca 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2k36 h VAL 15 Cb 0.39 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.71 2k36 h VAL 15 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 175.89 2k36 n ASP 16 N -5.58 3.08 -0.17 3.17 2.03 -1.25 -0.20 116.55 117.62 2k36 n ASP 16 Ca 0.16 -3.05 0.19 0.00 0.52 0.00 0.00 54.79 52.61 2k36 n ASP 16 Cb 0.53 -0.48 0.56 0.00 -0.72 0.00 0.00 41.12 41.00 2k36 n ASP 16 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2k36 h ASP 17 N 0.86 0.30 0.00 1.67 3.58 -1.42 -3.40 116.42 118.00 2k36 h ASP 17 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2k36 h ASP 17 Cb 1.21 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2k36 h ASP 17 CO 0.11 0.14 0.00 -0.67 -2.88 0.00 0.00 179.24 175.93 2k36 n ASP 18 N -4.45 0.00 -4.60 2.28 -0.08 -1.26 -4.86 116.55 103.57 2k36 n ASP 18 Ca 0.16 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.16 2k36 n ASP 18 Cb 0.65 -0.08 -0.10 0.00 2.34 0.00 0.00 41.12 43.93 2k36 n ASP 18 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 2k36 s LYS 19 N 0.00 1.96 0.21 -0.67 -2.85 -1.26 -4.36 119.74 112.77 2k36 s LYS 19 Ca 0.00 -2.14 -0.29 0.00 -1.00 0.00 0.00 55.97 52.54 2k36 s LYS 19 Cb 0.00 -1.47 -0.08 0.00 -2.06 0.00 0.00 37.83 34.22 2k36 s LYS 19 CO 0.00 -0.15 0.91 -1.50 0.10 0.00 0.00 175.35 174.72 2k36 s ILE 20 N -2.85 4.18 0.01 3.79 1.10 -0.98 -4.72 121.20 121.74 2k36 s ILE 20 Ca 0.29 2.02 0.00 0.00 -0.51 0.00 0.00 60.65 62.45 2k36 s ILE 20 Cb 0.08 -4.30 0.00 0.00 0.15 0.00 0.00 42.46 38.40 2k36 s ILE 20 CO 0.15 0.48 0.01 0.00 -2.11 0.00 0.00 174.94 173.47 2k36 s SER 22 N -1.05 4.48 0.26 0.00 0.15 -1.26 -4.93 113.70 111.36 2k36 s SER 22 Ca 0.01 1.48 -0.03 0.00 0.70 0.00 0.00 55.95 58.11 2k36 s SER 22 Cb -0.00 -2.23 0.41 0.00 -1.71 0.00 0.00 66.02 62.49 2k36 s SER 22 CO 0.01 -2.00 1.85 0.03 1.20 0.00 0.00 173.24 174.33 2k36 h ARG 23 N -1.11 1.00 0.00 5.44 3.08 -1.98 -1.56 114.38 119.25 2k36 h ARG 23 Ca -0.46 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2k36 h ARG 23 Cb 1.25 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2k36 h ARG 23 CO 0.57 0.66 0.00 -3.47 -1.07 0.00 0.00 179.97 176.66 2k36 n ASP 24 N -4.59 0.00 -0.06 7.04 2.03 -1.26 -2.49 116.55 117.22 2k36 n ASP 24 Ca 0.15 -0.01 -0.01 0.00 0.52 0.00 0.00 54.79 55.44 2k36 n ASP 24 Cb 0.23 -0.28 -0.16 0.00 -0.72 0.00 0.00 41.12 40.19 2k36 n ASP 24 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2k36 n SER 25 N -1.28 0.15 0.00 1.67 2.88 -0.60 -3.81 113.62 112.63 2k36 n SER 25 Ca 0.09 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.77 2k36 n SER 25 Cb 0.16 1.38 0.63 0.00 -0.75 0.00 0.00 64.21 65.63 2k36 n SER 25 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2k36 n ILE 26 N -2.53 0.00 0.20 2.46 2.08 -1.04 -1.15 119.36 119.39 2k36 n ILE 26 Ca -0.21 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 62.98 2k36 n ILE 26 Cb 0.90 -0.50 -0.07 0.00 -0.75 0.00 0.00 39.64 39.22 2k36 n ILE 26 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2k36 h ILE 27 N 0.00 0.49 -0.03 1.39 1.08 -1.65 -2.85 117.51 115.93 2k36 h ILE 27 Ca 0.00 -0.58 -0.16 0.00 -0.39 0.00 0.00 64.86 63.73 2k36 h ILE 27 Cb 0.49 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 2k36 h ILE 27 CO 0.00 0.09 -0.71 0.44 -0.69 0.00 0.00 178.15 177.27 2k36 h ASP 28 N -0.91 0.21 -0.45 1.72 3.32 -1.68 -3.30 116.42 115.33 2k36 h ASP 28 Ca -0.05 -0.14 0.09 0.00 0.02 0.00 0.00 57.03 56.95 2k36 h ASP 28 Cb 0.55 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 39.95 2k36 h ASP 28 CO 0.09 0.85 -0.12 0.25 -1.72 0.00 0.00 179.24 178.59 2k36 h LEU 29 N 0.12 -0.43 -1.43 1.55 5.85 -1.14 0.21 115.31 120.03 2k36 h LEU 29 Ca -0.02 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.87 2k36 h LEU 29 Cb 1.26 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 2k36 h LEU 29 CO 0.11 -0.15 0.42 0.40 -0.34 0.00 0.00 178.44 178.87 2k36 h ILE 30 N -0.01 1.09 -0.27 4.05 1.08 -1.58 0.35 117.51 122.23 2k36 h ILE 30 Ca 0.21 -0.26 -0.13 0.00 -0.39 0.00 0.00 64.86 64.30 2k36 h ILE 30 Cb 0.33 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 34.36 2k36 h ILE 30 CO -0.46 0.14 -0.34 -0.78 -0.69 0.00 0.00 178.15 176.02 2k36 h ASP 31 N 0.75 0.76 0.03 1.72 3.58 -1.10 -2.00 116.42 120.14 2k36 h ASP 31 Ca 0.25 -0.50 0.01 0.00 0.42 0.00 0.00 57.03 57.21 2k36 h ASP 31 Cb 0.07 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2k36 h ASP 31 CO -0.07 1.10 -0.06 -0.33 -2.88 0.00 0.00 179.24 177.00 2k36 h GLU 32 N 0.43 -0.12 0.47 0.28 5.08 0.73 -2.11 114.58 119.34 2k36 h GLU 32 Ca 0.03 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2k36 h GLU 32 Cb 0.92 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2k36 h GLU 32 CO 0.08 -0.08 -0.23 -0.92 -1.00 0.00 0.00 179.01 176.86 2k36 h TYR 33 N -0.13 -0.59 -0.25 4.33 3.20 -0.34 0.62 116.97 123.82 2k36 h TYR 33 Ca 0.02 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.94 2k36 h TYR 33 Cb 0.14 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2k36 h TYR 33 CO -0.12 -0.28 0.18 0.82 -1.64 0.00 0.00 178.16 177.13 2k36 h ILE 34 N -0.86 0.83 0.03 1.81 1.08 -1.44 0.59 117.51 119.55 2k36 h ILE 34 Ca -0.06 0.00 -0.25 0.00 -0.39 0.00 0.00 64.86 64.16 2k36 h ILE 34 Cb 0.58 0.87 0.01 0.00 -3.07 0.00 0.00 36.82 35.21 2k36 h ILE 34 CO 0.11 0.00 -1.03 0.74 -0.69 0.00 0.00 178.15 177.28 2k36 h THR 35 N 0.00 1.37 -0.49 -0.27 2.02 -0.94 -3.25 112.91 111.35 2k36 h THR 35 Ca 0.12 -2.48 -0.11 0.00 0.77 0.00 0.00 66.41 64.71 2k36 h THR 35 Cb 0.48 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 2k36 h THR 35 CO -0.00 0.74 -0.14 -0.25 0.37 0.00 0.00 175.52 176.24 2k36 h TRP 36 N 0.25 1.05 -0.75 3.16 7.01 0.31 0.72 115.95 127.69 2k36 h TRP 36 Ca -0.11 -0.22 0.22 0.00 2.11 0.00 0.00 58.89 60.89 2k36 h TRP 36 Cb 1.68 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 28.45 2k36 h TRP 36 CO 0.07 1.00 0.54 0.00 -2.79 0.00 0.00 178.44 177.27 2k36 h ARG 37 N 0.83 0.02 0.06 2.65 2.47 -0.05 -1.12 114.38 119.24 2k36 h ARG 37 Ca 0.13 -0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.72 2k36 h ARG 37 Cb 0.68 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 2k36 h ARG 37 CO 0.05 0.01 -0.62 -0.97 0.56 0.00 0.00 179.97 179.00 2k36 h ASN 38 N 0.02 0.20 -0.89 7.04 -0.00 -1.20 -3.36 115.58 117.39 2k36 h ASN 38 Ca 0.36 -0.90 0.15 0.00 -0.00 0.00 0.00 56.30 55.91 2k36 h ASN 38 Cb 1.41 -0.07 -0.10 0.00 -0.00 0.00 0.00 38.32 39.57 2k36 h ASN 38 CO -0.01 1.27 0.48 0.45 -0.00 0.00 0.00 177.43 179.63 2k36 h HIS 39 N -0.70 0.85 -0.15 0.67 3.86 0.26 0.30 115.15 120.23 2k36 h HIS 39 Ca -0.13 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.16 2k36 h HIS 39 Cb 1.35 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.57 2k36 h HIS 39 CO 0.21 0.21 0.15 0.28 0.86 0.00 0.00 177.93 179.64 2k36 h VAL 40 N 0.67 0.56 0.00 2.45 2.07 -1.44 -1.10 116.25 119.46 2k36 h VAL 40 Ca 0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.01 2k36 h VAL 40 Cb 0.70 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2k36 h VAL 40 CO -0.36 0.00 -0.37 -0.38 0.02 0.00 0.00 177.57 176.47 2k36 n ILE 41 N -3.93 1.01 -0.10 4.57 2.08 0.90 -1.60 119.36 122.29 2k36 n ILE 41 Ca 0.01 0.30 -0.06 0.00 0.56 0.00 0.00 62.75 63.56 2k36 n ILE 41 Cb 0.27 -2.13 0.00 0.00 -0.75 0.00 0.00 39.64 37.03 2k36 n ILE 41 CO 0.00 0.00 0.00 -0.37 0.56 0.00 0.00 176.55 176.74 2k36 h VAL 42 N -0.71 0.52 0.00 1.39 -1.51 -1.13 -1.54 116.25 113.28 2k36 h VAL 42 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2k36 h VAL 42 Cb 0.37 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.06 2k36 h VAL 42 CO 0.00 0.00 -0.42 0.49 -1.23 0.00 0.00 177.57 176.41 2k36 n PHE 43 N -5.33 0.15 -3.73 5.19 3.01 -0.42 -4.56 117.46 111.76 2k36 n PHE 43 Ca 0.01 0.04 -0.24 0.00 1.01 0.00 0.00 57.45 58.28 2k36 n PHE 43 Cb 0.25 -0.41 0.04 0.00 -0.01 0.00 0.00 39.48 39.35 2k36 n PHE 43 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2k36 n ASN 44 N -1.66 -2.79 -0.51 4.37 2.85 -0.58 -2.80 115.26 114.15 2k36 n ASN 44 Ca 0.05 -0.76 0.00 0.00 -0.11 0.00 0.00 54.58 53.76 2k36 n ASN 44 Cb 0.36 -4.20 0.00 0.00 1.24 0.00 0.00 39.78 37.18 2k36 n ASN 44 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2k36 n LYS 45 N -4.45 3.47 -4.35 1.20 5.02 -0.63 -4.75 118.16 113.67 2k36 n LYS 45 Ca -0.17 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 55.93 2k36 n LYS 45 Cb 0.62 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.48 2k36 n LYS 45 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k36 s ASP 46 N -1.38 1.07 0.19 4.39 1.01 -1.26 -4.93 116.67 115.76 2k36 s ASP 46 Ca 0.00 -0.16 0.11 0.00 0.71 0.00 0.00 52.55 53.20 2k36 s ASP 46 Cb 0.00 -0.19 -0.09 0.00 1.01 0.00 0.00 42.92 43.65 2k36 s ASP 46 CO 0.00 0.09 1.34 -0.29 0.21 0.00 0.00 175.17 176.51 2k36 h ILE 47 N 5.13 1.31 0.00 0.77 6.09 -1.98 -3.14 117.51 125.69 2k36 h ILE 47 Ca -0.32 -2.87 0.00 0.00 -1.37 0.00 0.00 64.86 60.30 2k36 h ILE 47 Cb 1.18 2.65 0.00 0.00 0.47 0.00 0.00 36.82 41.11 2k36 h ILE 47 CO 0.49 0.75 0.00 0.71 -3.07 0.00 0.00 178.15 177.03 2k36 h THR 48 N 0.00 0.00 -2.21 2.19 1.35 -2.02 -3.39 112.91 108.83 2k36 h THR 48 Ca -0.01 -0.60 -0.72 0.00 -0.55 0.00 0.00 66.41 64.52 2k36 h THR 48 Cb 1.60 1.57 -0.17 0.00 -1.73 0.00 0.00 68.15 69.42 2k36 h THR 48 CO 0.10 0.00 1.23 -0.55 -0.25 0.00 0.00 175.52 176.05 2k36 s SER 49 N -5.02 6.95 0.00 5.36 0.15 -1.19 -4.84 113.70 115.11 2k36 s SER 49 Ca 0.09 -2.72 0.00 0.00 0.70 0.00 0.00 55.95 54.01 2k36 s SER 49 Cb 0.10 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2k36 s SER 49 CO 0.59 -0.84 0.00 0.00 1.20 0.00 0.00 173.24 174.19 2k36 n GLY 51 N 0.00 2.92 0.12 0.00 0.00 0.73 -4.81 105.19 104.15 2k36 n GLY 51 Ca 0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 2k36 n GLY 51 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k36 h ARG 52 N 0.00 0.30 -0.74 1.61 3.08 -1.83 -3.07 114.38 113.73 2k36 h ARG 52 Ca 0.00 -0.12 0.14 0.00 0.07 0.00 0.00 59.98 60.07 2k36 h ARG 52 Cb 0.00 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 29.94 2k36 h ARG 52 CO 0.00 0.60 0.27 1.25 -1.07 0.00 0.00 179.97 181.02 2k36 h LEU 53 N -0.00 0.23 -0.89 3.04 6.46 -1.85 -2.30 115.31 120.00 2k36 h LEU 53 Ca 0.04 0.11 -0.12 0.00 -0.12 0.00 0.00 57.88 57.80 2k36 h LEU 53 Cb 0.49 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 2k36 h LEU 53 CO 0.02 0.08 -0.48 1.88 -0.62 0.00 0.00 178.44 179.32 2k36 h TYR 54 N 0.41 0.22 -0.23 1.25 -1.99 -1.74 -2.79 116.97 112.10 2k36 h TYR 54 Ca 0.41 -0.07 -0.02 0.00 2.00 0.00 0.00 58.73 61.05 2k36 h TYR 54 Cb 0.62 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 2k36 h TYR 54 CO -0.18 0.63 0.04 0.87 -0.00 0.00 0.00 178.16 179.51 2k36 h LYS 55 N 0.15 0.32 -0.25 4.88 1.79 -1.39 -2.35 116.57 119.71 2k36 h LYS 55 Ca 0.01 -0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 58.27 2k36 h LYS 55 Cb 0.90 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2k36 h LYS 55 CO 0.07 0.32 -0.47 0.93 -1.08 0.00 0.00 179.45 179.22 2k36 h GLU 56 N 0.32 0.76 -0.85 3.15 4.39 -1.52 -2.35 114.58 118.50 2k36 h GLU 56 Ca 0.08 -0.48 0.11 0.00 0.34 0.00 0.00 59.36 59.41 2k36 h GLU 56 Cb 0.16 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.80 2k36 h GLU 56 CO -0.00 1.11 0.55 -0.07 -1.16 0.00 0.00 179.01 179.44 2k36 h LEU 57 N 0.51 0.69 -1.81 1.33 -0.00 -1.45 0.23 115.31 114.80 2k36 h LEU 57 Ca 0.01 0.03 0.02 0.00 -0.00 0.00 0.00 57.88 57.94 2k36 h LEU 57 Cb 1.07 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.60 2k36 h LEU 57 CO 0.10 0.39 0.17 0.24 -0.00 0.00 0.00 178.44 179.34 2k36 h MET 58 N 0.75 0.24 0.00 1.13 2.86 -0.93 0.08 114.93 119.07 2k36 h MET 58 Ca 0.40 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 2k36 h MET 58 Cb 0.53 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2k36 h MET 58 CO -0.17 0.16 0.00 1.63 1.06 0.00 0.00 176.91 179.59 2k36 n LYS 59 N -4.50 0.14 0.09 1.72 5.02 0.06 -1.70 118.16 119.00 2k36 n LYS 59 Ca 0.01 0.25 0.13 0.00 -2.02 0.00 0.00 58.31 56.68 2k36 n LYS 59 Cb 0.14 -1.71 0.39 0.00 -0.02 0.00 0.00 35.03 33.83 2k36 n LYS 59 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2k36 n PHE 60 N -1.96 0.85 -0.18 2.13 3.72 0.01 -1.42 117.46 120.61 2k36 n PHE 60 Ca 0.04 0.25 -0.10 0.00 -0.05 0.00 0.00 57.45 57.59 2k36 n PHE 60 Cb 0.30 -0.89 0.01 0.00 -0.94 0.00 0.00 39.48 37.96 2k36 n PHE 60 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2k36 h ASP 61 N 0.00 0.95 -0.03 4.37 1.82 -1.32 -2.55 116.42 119.66 2k36 h ASP 61 Ca 0.00 -0.33 -0.19 0.00 -0.39 0.00 0.00 57.03 56.13 2k36 h ASP 61 Cb 0.73 -0.26 0.01 0.00 0.68 0.00 0.00 39.33 40.49 2k36 h ASP 61 CO 0.00 1.05 -0.70 -0.78 -1.61 0.00 0.00 179.24 177.19 2k36 h ASP 62 N 0.83 0.67 -0.46 2.28 3.58 -1.51 0.15 116.42 121.97 2k36 h ASP 62 Ca 0.14 -0.72 -0.00 0.00 0.42 0.00 0.00 57.03 56.86 2k36 h ASP 62 Cb 0.59 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2k36 h ASP 62 CO 0.04 1.30 0.28 1.62 -2.88 0.00 0.00 179.24 179.59 2k36 h VAL 63 N 0.10 1.14 -0.11 2.25 3.04 -1.28 0.76 116.25 122.15 2k36 h VAL 63 Ca -0.08 -0.33 -0.19 0.00 -1.01 0.00 0.00 66.70 65.09 2k36 h VAL 63 Cb 1.38 0.48 0.01 0.00 -2.01 0.00 0.00 31.29 31.16 2k36 h VAL 63 CO 0.14 0.15 -0.66 0.00 -1.01 0.00 0.00 177.57 176.20 2k36 h ALA 64 N 1.65 0.23 -0.63 3.17 0.00 -1.25 0.61 119.26 123.04 2k36 h ALA 64 Ca 0.17 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.56 2k36 h ALA 64 Cb -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2k36 h ALA 64 CO -0.03 0.52 0.42 0.82 0.00 0.00 0.00 179.25 180.98 2k36 h ILE 65 N 0.29 1.06 -0.30 0.00 2.04 0.09 0.55 117.51 121.25 2k36 h ILE 65 Ca -0.05 -0.24 -0.18 0.00 1.00 0.00 0.00 64.86 65.39 2k36 h ILE 65 Cb 1.30 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2k36 h ILE 65 CO 0.13 0.13 -0.51 -0.09 0.00 0.00 0.00 178.15 177.81 2k36 h ARG 66 N 0.71 0.85 0.00 2.37 2.43 0.63 -2.66 114.38 118.71 2k36 h ARG 66 Ca 0.26 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2k36 h ARG 66 Cb 0.14 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2k36 h ARG 66 CO -0.07 1.15 0.00 0.98 -1.51 0.00 0.00 179.97 180.52 2k36 n TYR 67 N -4.01 0.00 -0.07 2.20 4.19 0.19 -4.57 117.16 115.09 2k36 n TYR 67 Ca -0.04 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.02 2k36 n TYR 67 Cb 0.61 -0.24 -0.05 0.00 0.49 0.00 0.00 39.34 40.15 2k36 n TYR 67 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 2k36 h TYR 68 N 0.00 1.07 0.00 2.98 0.05 -0.13 -3.49 116.97 117.44 2k36 h TYR 68 Ca 0.00 -0.40 0.00 0.00 0.05 0.00 0.00 58.73 58.38 2k36 h TYR 68 Cb 0.00 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.54 2k36 h TYR 68 CO 0.00 1.22 0.00 0.41 -1.05 0.00 0.00 178.16 178.74 2k36 n GLY 69 N 0.43 2.58 0.25 3.88 0.00 -0.69 -4.50 105.19 107.14 2k36 n GLY 69 Ca -0.05 -1.56 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 2k36 n GLY 69 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2k36 h ILE 70 N 0.00 0.98 0.02 -0.61 6.09 -1.83 0.27 117.51 122.42 2k36 h ILE 70 Ca 0.00 -0.23 0.01 0.00 -1.37 0.00 0.00 64.86 63.27 2k36 h ILE 70 Cb 0.00 0.24 -0.02 0.00 0.47 0.00 0.00 36.82 37.51 2k36 h ILE 70 CO 0.00 0.12 -0.10 -0.78 -3.07 0.00 0.00 178.15 174.33 2k36 h ASP 71 N 0.68 -0.27 -0.61 2.19 3.58 -1.92 0.41 116.42 120.48 2k36 h ASP 71 Ca 0.29 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.69 2k36 h ASP 71 Cb 0.16 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2k36 h ASP 71 CO -0.17 -0.14 0.03 0.11 -2.88 0.00 0.00 179.24 176.18 2k36 h LYS 72 N -0.18 1.05 -0.36 0.28 1.79 -1.65 -1.15 116.57 116.36 2k36 h LYS 72 Ca 0.03 -0.32 0.04 0.00 -2.18 0.00 0.00 60.65 58.21 2k36 h LYS 72 Cb 0.21 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 2k36 h LYS 72 CO -0.08 1.02 0.15 0.82 -1.08 0.00 0.00 179.45 180.27 2k36 h ILE 73 N 0.95 0.93 -0.54 1.86 2.04 -0.06 0.54 117.51 123.23 2k36 h ILE 73 Ca 0.17 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 66.02 2k36 h ILE 73 Cb 0.53 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 2k36 h ILE 73 CO 0.03 0.06 0.14 0.78 0.00 0.00 0.00 178.15 179.15 2k36 h ASN 74 N 0.31 0.07 -0.29 1.72 2.35 0.12 0.59 115.58 120.46 2k36 h ASN 74 Ca 0.16 0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.89 2k36 h ASN 74 Cb 0.11 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2k36 h ASN 74 CO -0.15 0.06 -0.21 -0.33 -1.65 0.00 0.00 177.43 175.15 2k36 h GLU 75 N 0.29 0.76 0.18 0.81 5.08 -0.27 -2.94 114.58 118.49 2k36 h GLU 75 Ca 0.27 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2k36 h GLU 75 Cb 0.36 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2k36 h GLU 75 CO -0.33 0.90 -0.09 0.82 -1.00 0.00 0.00 179.01 179.32 2k36 h ILE 76 N 0.66 0.88 -0.23 3.13 5.03 0.94 -2.49 117.51 125.44 2k36 h ILE 76 Ca 0.10 -1.00 0.05 0.00 -0.12 0.00 0.00 64.86 63.89 2k36 h ILE 76 Cb 0.71 1.41 -0.05 0.00 -3.03 0.00 0.00 36.82 35.86 2k36 h ILE 76 CO 0.05 0.20 -0.12 1.62 -0.68 0.00 0.00 178.15 179.22 2k36 h VAL 77 N -0.79 0.62 -0.98 1.67 3.04 0.10 -0.60 116.25 119.32 2k36 h VAL 77 Ca -0.02 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.69 2k36 h VAL 77 Cb 0.52 0.62 -0.05 0.00 -2.01 0.00 0.00 31.29 30.37 2k36 h VAL 77 CO 0.04 0.00 0.64 -0.33 -1.01 0.00 0.00 177.57 176.91 2k36 h GLU 78 N -0.10 1.23 -0.30 4.17 5.08 -1.63 -2.12 114.58 120.90 2k36 h GLU 78 Ca 0.12 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2k36 h GLU 78 Cb 0.29 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2k36 h GLU 78 CO -0.29 0.81 0.16 0.00 -1.00 0.00 0.00 179.01 178.69 2k36 h ALA 79 N 1.42 0.37 -1.04 3.43 0.00 -0.72 -1.99 119.26 120.72 2k36 h ALA 79 Ca 0.38 0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.56 2k36 h ALA 79 Cb -0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.59 2k36 h ALA 79 CO -0.11 -0.22 0.67 0.52 0.00 0.00 0.00 179.25 180.11 2k36 h MET 80 N 0.33 0.39 0.00 0.00 2.86 -0.49 -1.33 114.93 116.69 2k36 h MET 80 Ca 0.12 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 2k36 h MET 80 Cb 0.03 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2k36 h MET 80 CO -0.08 0.26 -0.20 0.66 1.06 0.00 0.00 176.91 178.61 2k36 h SER 81 N 0.40 0.00 -0.31 1.22 4.64 -1.07 -0.43 113.55 117.99 2k36 h SER 81 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 2k36 h SER 81 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 2k36 h SER 81 CO -0.30 0.20 0.00 -0.62 -0.87 0.00 0.00 176.83 175.24 2k36 n GLU 82 N -3.54 2.30 -3.13 4.77 1.02 -0.54 -0.53 120.64 121.00 2k36 n GLU 82 Ca -0.01 -2.11 -0.19 0.00 -0.02 0.00 0.00 57.16 54.83 2k36 n GLU 82 Cb 0.35 -1.45 0.05 0.00 -0.02 0.00 0.00 31.44 30.37 2k36 n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k36 n GLY 83 N 1.29 -0.29 2.85 0.62 0.00 -0.17 -0.61 105.19 108.88 2k36 n GLY 83 Ca 0.17 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2k36 n GLY 83 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k36 s ASP 84 N -3.00 0.74 0.00 1.61 2.15 -1.05 -1.24 116.67 115.88 2k36 s ASP 84 Ca 0.36 0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.39 2k36 s ASP 84 Cb -0.16 0.78 0.00 0.00 -0.30 0.00 0.00 42.92 43.24 2k36 s ASP 84 CO 0.45 -0.31 0.00 0.00 -0.17 0.00 0.00 175.17 175.14 2k36 n HIS 85 N 5.34 -0.35 0.00 -5.34 1.44 -1.26 -4.38 115.22 110.67 2k36 n HIS 85 Ca -0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 2k36 n HIS 85 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 2k36 n HIS 85 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 2k36 n TYR 86 N 0.00 0.00 -0.75 -1.40 0.18 -1.26 -5.05 117.16 108.88 2k36 n TYR 86 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2k36 n TYR 86 Cb 0.00 0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.01 2k36 n TYR 86 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 2k36 n ILE 87 N -1.79 -3.56 -4.30 -3.48 -0.00 -1.26 -5.11 119.36 99.86 2k36 n ILE 87 Ca 0.00 1.00 -0.14 0.00 -0.00 0.00 0.00 62.75 63.61 2k36 n ILE 87 Cb 0.00 -2.22 -0.03 0.00 -0.00 0.00 0.00 39.64 37.39 2k36 n ILE 87 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2k36 n ASN 88 N 0.07 2.05 -4.92 4.38 4.13 -1.26 -5.15 115.26 114.55 2k36 n ASN 88 Ca 0.00 -2.01 -0.26 0.00 1.68 0.00 0.00 54.58 53.99 2k36 n ASN 88 Cb 0.00 0.28 0.00 0.00 -1.54 0.00 0.00 39.78 38.53 2k36 n ASN 88 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2k36 s PHE 89 N -1.99 3.44 -1.65 3.10 -0.71 -1.26 -4.99 117.98 113.92 2k36 s PHE 89 Ca 0.04 0.59 0.27 0.00 -1.04 0.00 0.00 56.93 56.79 2k36 s PHE 89 Cb 0.00 -2.29 0.97 0.00 -1.21 0.00 0.00 43.02 40.49 2k36 s PHE 89 CO 0.03 -0.29 1.70 0.25 -1.34 0.00 0.00 175.22 175.56 2k36 n THR 90 N -2.18 0.00 0.00 -4.49 -2.24 -1.26 -4.96 114.28 99.15 2k36 n THR 90 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2k36 n THR 90 Cb 0.56 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2k36 n THR 90 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2k36 n LYS 91 N -0.85 0.00 -3.62 -0.78 4.81 -1.26 -4.75 118.16 111.70 2k36 n LYS 91 Ca 0.13 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.33 2k36 n LYS 91 Cb 0.32 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.35 2k36 n LYS 91 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2k36 s VAL 92 N 0.00 5.17 -0.78 3.15 -7.23 -1.26 -5.03 120.40 114.42 2k36 s VAL 92 Ca 0.00 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 59.59 2k36 s VAL 92 Cb 0.00 -3.83 0.35 0.00 0.56 0.00 0.00 36.38 33.46 2k36 s VAL 92 CO 0.00 -0.40 1.57 1.41 -0.31 0.00 0.00 175.10 177.37 2k36 n HIS 93 N -1.41 3.22 -3.36 2.82 8.25 -1.26 -4.90 115.22 118.59 2k36 n HIS 93 Ca -0.06 -2.91 -0.20 0.00 -0.26 0.00 0.00 57.72 54.29 2k36 n HIS 93 Cb 0.56 -0.85 -0.00 0.00 1.12 0.00 0.00 29.99 30.81 2k36 n HIS 93 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2k36 s ASP 94 N -2.11 5.94 0.30 0.41 -1.08 -1.26 -4.93 116.67 113.94 2k36 s ASP 94 Ca 0.46 -0.08 0.03 0.00 -0.52 0.00 0.00 52.55 52.44 2k36 s ASP 94 Cb 0.31 -1.30 0.61 0.00 -1.46 0.00 0.00 42.92 41.08 2k36 s ASP 94 CO -0.22 -0.50 1.86 -0.61 0.52 0.00 0.00 175.17 176.23 2k36 h GLN 95 N 0.78 0.90 -0.92 4.34 4.15 -1.98 0.07 115.11 122.45 2k36 h GLN 95 Ca -0.46 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 58.95 2k36 h GLN 95 Cb 1.26 -0.20 -0.06 0.00 0.21 0.00 0.00 27.48 28.69 2k36 h GLN 95 CO 0.54 0.60 0.60 1.49 -1.93 0.00 0.00 178.83 180.12 2k36 h GLU 96 N 0.93 1.11 -0.22 1.69 4.81 -1.99 -0.18 114.58 120.73 2k36 h GLU 96 Ca 0.46 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.48 2k36 h GLU 96 Cb 0.48 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2k36 h GLU 96 CO -0.23 0.74 -0.47 0.77 -0.73 0.00 0.00 179.01 179.09 2k36 h SER 97 N 1.15 0.62 0.24 1.04 0.02 -1.50 -0.93 113.55 114.19 2k36 h SER 97 Ca 0.37 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2k36 h SER 97 Cb 0.02 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2k36 h SER 97 CO -0.13 1.00 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.26 2k36 h LEU 98 N 0.46 -0.62 -0.74 5.07 3.38 0.36 -1.00 115.31 122.23 2k36 h LEU 98 Ca 0.03 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2k36 h LEU 98 Cb 0.99 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2k36 h LEU 98 CO 0.09 -0.34 0.03 -0.26 0.09 0.00 0.00 178.44 178.05 2k36 h PHE 99 N -0.50 1.07 -0.45 1.13 -1.00 -1.07 -2.51 116.94 113.61 2k36 h PHE 99 Ca -0.01 -0.16 0.07 0.00 2.81 0.00 0.00 57.97 60.68 2k36 h PHE 99 Cb 0.46 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.71 2k36 h PHE 99 CO -0.16 0.94 0.31 0.00 -1.61 0.00 0.00 178.31 177.79 2k36 h ALA 100 N 1.10 1.99 -0.13 2.45 0.00 -0.84 -0.59 119.26 123.24 2k36 h ALA 100 Ca 0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2k36 h ALA 100 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k36 h ALA 100 CO 0.02 -0.07 -0.30 1.15 0.00 0.00 0.00 179.25 180.05 2k36 h THR 101 N 0.34 1.26 0.16 0.00 2.02 -0.72 -1.75 112.91 114.22 2k36 h THR 101 Ca 0.20 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 2k36 h THR 101 Cb 0.36 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2k36 h THR 101 CO -0.05 0.37 -0.07 0.40 0.37 0.00 0.00 175.52 176.54 2k36 h ILE 102 N 0.21 0.92 -0.61 3.11 5.03 -1.13 -3.07 117.51 121.97 2k36 h ILE 102 Ca 0.03 -1.09 -0.07 0.00 -0.12 0.00 0.00 64.86 63.62 2k36 h ILE 102 Cb 0.64 1.52 -0.03 0.00 -3.03 0.00 0.00 36.82 35.92 2k36 h ILE 102 CO 0.05 0.23 0.12 1.23 -0.68 0.00 0.00 178.15 179.09 2k36 h GLY 103 N -0.80 1.06 1.05 5.37 0.00 -1.39 0.01 103.07 108.36 2k36 h GLY 103 Ca -0.02 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.67 2k36 h GLY 103 CO 0.04 0.61 0.62 1.19 0.00 0.00 0.00 176.54 179.00 2k36 h ILE 104 N 0.93 1.21 0.00 2.60 6.09 -1.44 -0.59 117.51 126.32 2k36 h ILE 104 Ca 0.19 -0.42 -0.10 0.00 -1.37 0.00 0.00 64.86 63.16 2k36 h ILE 104 Cb 0.38 -0.13 -0.01 0.00 0.47 0.00 0.00 36.82 37.52 2k36 h ILE 104 CO 0.01 0.23 -0.48 0.00 -3.07 0.00 0.00 178.15 174.83 2k36 h ALA 106 N 1.52 0.85 0.00 0.00 0.00 0.59 -2.41 119.26 119.81 2k36 h ALA 106 Ca -0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 2k36 h ALA 106 Cb 1.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2k36 h ALA 106 CO 0.06 0.65 -0.55 0.87 0.00 0.00 0.00 179.25 180.28 2k36 h LYS 107 N 0.43 0.00 -0.11 0.00 1.57 -1.47 -2.88 116.57 114.12 2k36 h LYS 107 Ca 0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2k36 h LYS 107 Cb 0.92 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 2k36 h LYS 107 CO 0.08 0.55 -0.06 0.82 -0.57 0.00 0.00 179.45 180.27 2k36 h ILE 108 N 0.00 1.33 -0.40 1.86 2.04 -1.50 -2.89 117.51 117.94 2k36 h ILE 108 Ca -0.01 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 2k36 h ILE 108 Cb 1.13 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 2k36 h ILE 108 CO 0.07 0.32 -0.10 0.00 0.00 0.00 0.00 178.15 178.45 2k36 h THR 109 N -0.12 1.25 -0.17 -0.27 1.03 -1.45 -3.24 112.91 109.93 2k36 h THR 109 Ca 0.02 -1.10 -0.09 0.00 -0.01 0.00 0.00 66.41 65.23 2k36 h THR 109 Cb 0.54 1.05 -0.00 0.00 -1.07 0.00 0.00 68.15 68.66 2k36 h THR 109 CO 0.02 0.37 -0.26 1.05 -0.01 0.00 0.00 175.52 176.69 2k36 h GLU 110 N 0.63 0.47 -0.97 0.00 4.11 -1.53 -3.28 114.58 114.01 2k36 h GLU 110 Ca 0.11 -0.28 0.22 0.00 0.07 0.00 0.00 59.36 59.49 2k36 h GLU 110 Cb 0.54 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 2k36 h GLU 110 CO 0.03 0.88 0.63 1.25 0.07 0.00 0.00 179.01 181.87 2k36 h HIS 111 N 0.11 0.65 0.00 2.06 2.76 -1.53 -0.58 115.15 118.62 2k36 h HIS 111 Ca 0.02 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2k36 h HIS 111 Cb 0.83 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.60 2k36 h HIS 111 CO 0.09 0.13 0.00 -1.49 -1.30 0.00 0.00 177.93 175.36 2k36 h TRP 112 N 0.45 0.00 -0.51 5.26 6.55 -1.69 -3.35 115.95 122.67 2k36 h TRP 112 Ca 0.53 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 60.34 2k36 h TRP 112 Cb 1.26 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.54 2k36 h TRP 112 CO -0.00 0.00 0.21 0.78 -1.05 0.00 0.00 178.44 178.38 2k36 h GLY 113 N 2.43 0.82 0.14 1.49 0.00 -1.27 0.16 103.07 106.84 2k36 h GLY 113 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 46.90 2k36 h GLY 113 CO 0.00 0.41 -0.46 -0.97 0.00 0.00 0.00 176.54 175.52 2k36 h TYR 114 N 0.69 -1.33 -0.27 5.60 0.05 -1.74 -2.93 116.97 117.03 2k36 h TYR 114 Ca 0.17 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.98 2k36 h TYR 114 Cb 0.18 0.56 0.00 0.00 1.01 0.00 0.00 36.73 38.49 2k36 h TYR 114 CO 0.00 -0.53 0.00 0.36 -1.05 0.00 0.00 178.16 176.94 2k36 n LYS 115 N -5.08 2.85 -3.16 4.88 2.85 -1.25 -4.88 118.16 114.37 2k36 n LYS 115 Ca -0.08 -2.48 -0.06 0.00 -1.05 0.00 0.00 58.31 54.64 2k36 n LYS 115 Cb 0.36 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 2k36 n LYS 115 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2k36 n LYS 116 N -0.15 -1.53 -3.09 -1.58 5.02 0.30 -4.97 118.16 112.17 2k36 n LYS 116 Ca 0.17 1.47 -0.36 0.00 -2.02 0.00 0.00 58.31 57.57 2k36 n LYS 116 Cb 0.68 -5.09 -0.06 0.00 -0.02 0.00 0.00 35.03 30.54 2k36 n LYS 116 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2k36 s ILE 117 N -2.89 4.55 0.00 -0.18 1.01 0.22 -4.99 121.20 118.93 2k36 s ILE 117 Ca 0.05 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.01 2k36 s ILE 117 Cb -0.01 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.59 2k36 s ILE 117 CO 0.78 0.21 0.00 -0.24 0.00 0.00 0.00 174.94 175.69 2k36 n SER 118 N 0.72 0.00 -0.08 3.58 2.88 -1.22 -4.78 113.62 114.73 2k36 n SER 118 Ca -0.02 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.38 2k36 n SER 118 Cb 0.51 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 2k36 n SER 118 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2k36 h GLU 119 N 0.00 0.71 -5.85 -1.46 4.57 -1.05 -3.49 114.58 108.02 2k36 h GLU 119 Ca 0.00 -0.43 -0.17 0.00 -1.18 0.00 0.00 59.36 57.58 2k36 h GLU 119 Cb 0.00 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2k36 h GLU 119 CO 0.00 1.05 -0.38 0.45 -1.18 0.00 0.00 179.01 178.95 2k36 n SER 120 N -4.20 -6.78 0.23 1.04 2.88 -1.08 -4.84 113.62 100.87 2k36 n SER 120 Ca -0.05 -0.39 -0.17 0.00 -1.33 0.00 0.00 58.87 56.93 2k36 n SER 120 Cb 0.53 -4.06 -0.10 0.00 -0.75 0.00 0.00 64.21 59.83 2k36 n SER 120 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2k36 h ARG 121 N 0.18 -0.87 0.00 -1.46 2.43 -0.61 -3.46 114.38 110.59 2k36 h ARG 121 Ca -0.22 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2k36 h ARG 121 Cb 1.14 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 2k36 h ARG 121 CO 0.33 -0.58 0.00 0.34 -1.51 0.00 0.00 179.97 178.55 2k36 n PHE 122 N -5.44 0.00 -1.24 2.20 7.35 -0.95 -5.00 117.46 114.38 2k36 n PHE 122 Ca -0.11 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.24 2k36 n PHE 122 Cb 0.44 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.22 2k36 n PHE 122 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2k36 n GLN 123 N -0.20 3.41 -2.88 -4.13 3.00 -0.37 -4.81 117.38 111.39 2k36 n GLN 123 Ca 0.00 -2.01 -0.44 0.00 -0.01 0.00 0.00 57.00 54.55 2k36 n GLN 123 Cb 0.00 -2.68 -0.00 0.00 0.00 0.00 0.00 30.24 27.56 2k36 n GLN 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2k36 s SER 124 N 2.19 6.96 -0.03 1.08 0.15 -1.26 -4.53 113.70 118.27 2k36 s SER 124 Ca 0.68 -2.75 -0.01 0.00 0.70 0.00 0.00 55.95 54.58 2k36 s SER 124 Cb 0.20 -2.43 0.03 0.00 -1.71 0.00 0.00 66.02 62.11 2k36 s SER 124 CO -0.05 -0.87 0.04 -0.22 1.20 0.00 0.00 173.24 173.34 2k36 s LEU 125 N 2.18 0.72 0.00 3.45 1.98 -1.26 -5.07 118.68 120.68 2k36 s LEU 125 Ca 0.43 0.05 0.00 0.00 -2.89 0.00 0.00 54.13 51.71 2k36 s LEU 125 Cb -0.02 -0.12 0.00 0.00 0.66 0.00 0.00 46.19 46.71 2k36 s LEU 125 CO -0.00 -0.17 0.00 0.61 -1.89 0.00 0.00 176.35 174.89 2k36 n GLY 126 N 4.63 1.76 3.87 7.98 0.00 -1.26 -5.16 105.19 117.01 2k36 n GLY 126 Ca -0.18 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 2k36 n GLY 126 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k36 s ASN 127 N 0.00 5.38 0.00 1.61 2.47 -1.26 -5.09 114.94 118.05 2k36 s ASN 127 Ca 0.00 -0.44 0.00 0.00 0.42 0.00 0.00 52.86 52.84 2k36 s ASN 127 Cb 0.00 -1.04 0.00 0.00 -1.45 0.00 0.00 41.25 38.76 2k36 s ASN 127 CO 0.00 -0.34 0.35 -0.38 -3.72 0.00 0.00 177.10 173.01 2k36 n ILE 128 N -1.39 0.00 0.25 -5.21 5.41 -1.26 -4.00 119.36 113.15 2k36 n ILE 128 Ca -0.02 0.76 0.07 0.00 1.00 0.00 0.00 62.75 64.56 2k36 n ILE 128 Cb 0.59 -1.57 0.60 0.00 -0.71 0.00 0.00 39.64 38.55 2k36 n ILE 128 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2k36 h THR 129 N 0.00 1.01 0.00 1.39 1.35 -1.92 -2.28 112.91 112.46 2k36 h THR 129 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2k36 h THR 129 Cb 0.00 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2k36 h THR 129 CO 0.00 0.09 0.00 0.47 -0.25 0.00 0.00 175.52 175.83 2k36 n ASP 130 N -4.36 0.00 -0.04 5.36 8.00 -1.26 -2.41 116.55 121.84 2k36 n ASP 130 Ca -0.03 0.20 0.12 0.00 0.71 0.00 0.00 54.79 55.79 2k36 n ASP 130 Cb 0.17 -0.33 0.23 0.00 -0.02 0.00 0.00 41.12 41.17 2k36 n ASP 130 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2k36 n LEU 131 N -1.33 0.65 -4.11 0.64 0.00 -0.86 -4.93 117.00 107.07 2k36 n LEU 131 Ca 0.05 -0.10 -0.12 0.00 0.00 0.00 0.00 56.01 55.84 2k36 n LEU 131 Cb 0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 43.42 43.24 2k36 n LEU 131 CO 0.09 0.15 -0.00 0.00 0.00 0.00 0.00 177.39 177.63 2k36 s MET 132 N -2.92 1.52 0.16 1.96 0.23 -1.01 -4.93 119.30 114.30 2k36 s MET 132 Ca 0.13 -1.56 0.08 0.00 -1.03 0.00 0.00 55.69 53.31 2k36 s MET 132 Cb 0.18 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.82 2k36 s MET 132 CO 0.69 -0.58 -0.17 0.95 -2.03 0.00 0.00 175.02 173.88 2k36 s THR 133 N -3.82 1.69 0.52 3.16 -4.23 -1.26 -4.97 115.64 106.73 2k36 s THR 133 Ca 0.32 -1.89 0.33 0.00 -1.18 0.00 0.00 61.69 59.26 2k36 s THR 133 Cb 0.02 -1.78 0.52 0.00 1.34 0.00 0.00 72.50 72.60 2k36 s THR 133 CO 0.14 -0.37 1.81 -0.78 -0.54 0.00 0.00 174.62 174.88 2k36 h ASP 134 N 3.26 0.07 0.63 3.99 1.82 -1.96 0.62 116.42 124.85 2k36 h ASP 134 Ca -0.41 0.01 -0.12 0.00 -0.39 0.00 0.00 57.03 56.12 2k36 h ASP 134 Cb 1.20 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.20 2k36 h ASP 134 CO 0.52 0.01 -0.57 -0.78 -1.61 0.00 0.00 179.24 176.81 2k36 h ASP 135 N 0.06 0.00 1.13 2.28 3.58 -1.99 -2.71 116.42 118.78 2k36 h ASP 135 Ca 0.55 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.86 2k36 h ASP 135 Cb 2.07 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 43.10 2k36 h ASP 135 CO -0.06 0.57 -0.69 -1.13 -2.88 0.00 0.00 179.24 175.05 2k36 h ASN 136 N 0.00 0.00 -0.79 2.28 -0.73 -0.21 -2.87 115.58 113.26 2k36 h ASN 136 Ca -0.01 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.22 2k36 h ASN 136 Cb 1.04 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.58 2k36 h ASN 136 CO 0.07 0.69 0.52 0.40 -0.37 0.00 0.00 177.43 178.74 2k36 h ILE 137 N 0.00 1.06 -0.42 2.57 5.03 -0.82 0.14 117.51 125.06 2k36 h ILE 137 Ca -0.01 -0.30 -0.03 0.00 -0.12 0.00 0.00 64.86 64.40 2k36 h ILE 137 Cb 1.45 0.10 -0.02 0.00 -3.03 0.00 0.00 36.82 35.32 2k36 h ILE 137 CO 0.09 0.16 0.15 0.78 -0.68 0.00 0.00 178.15 178.65 2k36 h ASN 138 N 0.88 0.60 -0.61 1.72 2.35 -1.49 0.25 115.58 119.29 2k36 h ASN 138 Ca 0.33 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 2k36 h ASN 138 Cb 0.19 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 2k36 h ASN 138 CO -0.11 0.63 0.34 0.40 -1.65 0.00 0.00 177.43 177.04 2k36 h ILE 139 N 0.54 1.19 0.19 2.81 5.03 -1.27 -1.66 117.51 124.35 2k36 h ILE 139 Ca 0.14 -0.48 -0.01 0.00 -0.12 0.00 0.00 64.86 64.39 2k36 h ILE 139 Cb 0.23 0.40 0.00 0.00 -3.03 0.00 0.00 36.82 34.42 2k36 h ILE 139 CO -0.01 0.21 -0.09 0.25 -0.68 0.00 0.00 178.15 177.83 2k36 h LEU 140 N 0.83 -0.22 -0.79 1.44 7.12 -0.29 0.34 115.31 123.74 2k36 h LEU 140 Ca 0.22 -0.10 0.14 0.00 0.13 0.00 0.00 57.88 58.27 2k36 h LEU 140 Cb 0.03 0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 40.12 2k36 h LEU 140 CO -0.04 -0.03 0.35 0.40 -0.13 0.00 0.00 178.44 178.99 2k36 h ILE 141 N -0.39 0.68 -0.07 4.05 1.08 -0.37 -0.39 117.51 122.10 2k36 h ILE 141 Ca -0.03 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 2k36 h ILE 141 Cb 0.30 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.18 2k36 h ILE 141 CO 0.04 0.09 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.51 2k36 h LEU 142 N 0.51 0.13 -0.36 1.44 4.07 -0.73 0.43 115.31 120.80 2k36 h LEU 142 Ca 0.43 -0.36 0.05 0.00 0.08 0.00 0.00 57.88 58.08 2k36 h LEU 142 Cb 0.64 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.31 2k36 h LEU 142 CO -0.39 0.46 0.11 0.15 -1.08 0.00 0.00 178.44 177.69 2k36 h PHE 143 N -0.19 0.20 -0.42 1.13 3.57 0.15 -2.43 116.94 118.95 2k36 h PHE 143 Ca 0.02 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 2k36 h PHE 143 Cb 0.40 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2k36 h PHE 143 CO 0.05 0.07 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.06 2k36 h LEU 144 N 0.26 0.80 -2.16 0.59 3.38 -0.94 -3.02 115.31 114.21 2k36 h LEU 144 Ca 0.17 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.85 2k36 h LEU 144 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2k36 h LEU 144 CO -0.18 0.96 0.28 -0.33 0.09 0.00 0.00 178.44 179.26 2k36 h GLU 145 N 0.62 0.00 -1.02 1.13 5.08 0.36 1.09 114.58 121.83 2k36 h GLU 145 Ca 0.11 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.74 2k36 h GLU 145 Cb 0.59 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.72 2k36 h GLU 145 CO 0.04 0.00 0.62 0.87 -1.00 0.00 0.00 179.01 179.53 2k36 h LYS 146 N 0.00 0.47 0.00 2.33 1.79 -1.37 -2.79 116.57 117.00 2k36 h LYS 146 Ca 0.10 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2k36 h LYS 146 Cb 0.67 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2k36 h LYS 146 CO -0.00 0.31 -0.22 1.63 -1.08 0.00 0.00 179.45 180.08 2k36 n LYS 147 N -4.85 5.53 -3.20 3.15 4.01 0.21 -5.06 118.16 117.95 2k36 n LYS 147 Ca 0.28 -0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.88 2k36 n LYS 147 Cb 0.84 -0.64 0.02 0.00 -0.51 0.00 0.00 35.03 34.74 2k36 n LYS 147 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2k36 s LEU 148 N -2.23 3.27 0.00 -0.35 1.43 0.31 -5.03 118.68 116.09 2k36 s LEU 148 Ca 0.00 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 2k36 s LEU 148 Cb 0.01 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.27 2k36 s LEU 148 CO 0.07 -1.03 0.00 -3.20 0.23 0.00 0.00 176.35 172.41