#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 2.02 -2.52 3.04 0.00 -1.26 -4.80 120.51 117.00 2k36 n ALA 2 Ca 0.00 -0.64 -0.40 0.00 0.00 0.00 0.00 53.44 52.39 2k36 n ALA 2 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 2k36 n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k36 s THR 3 N -2.58 3.91 -0.30 0.00 2.01 -1.26 -4.96 115.64 112.46 2k36 s THR 3 Ca -0.06 -0.93 -0.18 0.00 0.31 0.00 0.00 61.69 60.84 2k36 s THR 3 Cb 0.06 -5.00 -0.02 0.00 0.01 0.00 0.00 72.50 67.55 2k36 s THR 3 CO 0.55 -1.87 0.50 -0.54 -0.69 0.00 0.00 174.62 172.57 2k36 s LYS 4 N 5.02 3.85 -0.30 4.92 1.02 -1.26 -4.99 119.74 128.00 2k36 s LYS 4 Ca 0.49 0.06 -0.07 0.00 0.02 0.00 0.00 55.97 56.47 2k36 s LYS 4 Cb 0.00 -3.73 0.18 0.00 -0.52 0.00 0.00 37.83 33.77 2k36 s LYS 4 CO -0.06 -0.48 0.84 -1.17 -0.92 0.00 0.00 175.35 173.56 2k36 s LEU 5 N 2.33 -0.90 0.06 3.17 0.20 -1.26 -5.12 118.68 117.15 2k36 s LEU 5 Ca 0.19 0.49 0.00 0.00 0.69 0.00 0.00 54.13 55.50 2k36 s LEU 5 Cb -0.16 1.72 0.00 0.00 -0.43 0.00 0.00 46.19 47.33 2k36 s LEU 5 CO 0.11 -0.17 0.00 -0.67 -0.29 0.00 0.00 176.35 175.34 2k36 n ASP 6 N 5.43 -2.36 -2.34 3.68 2.03 -1.26 -4.84 116.55 116.88 2k36 n ASP 6 Ca -0.03 0.16 -0.20 0.00 0.52 0.00 0.00 54.79 55.25 2k36 n ASP 6 Cb 0.53 0.26 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 2k36 n ASP 6 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k36 n TYR 7 N -0.73 -1.13 0.00 -0.67 9.36 -1.26 -4.93 117.16 117.79 2k36 n TYR 7 Ca 0.00 0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.34 2k36 n TYR 7 Cb 0.00 -3.87 0.00 0.00 -0.63 0.00 0.00 39.34 34.84 2k36 n TYR 7 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2k36 n GLU 8 N -3.08 0.00 -0.14 2.98 1.02 -1.26 -4.29 120.64 115.87 2k36 n GLU 8 Ca -0.20 0.09 -0.02 0.00 -0.02 0.00 0.00 57.16 57.01 2k36 n GLU 8 Cb 0.66 -0.46 0.01 0.00 -0.02 0.00 0.00 31.44 31.64 2k36 n GLU 8 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k36 n ASP 9 N -1.29 3.27 -3.71 1.62 8.00 -1.26 -4.66 116.55 118.51 2k36 n ASP 9 Ca 0.00 -2.17 -0.41 0.00 0.71 0.00 0.00 54.79 52.93 2k36 n ASP 9 Cb 0.00 -0.58 -0.09 0.00 -0.02 0.00 0.00 41.12 40.43 2k36 n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k36 n ALA 10 N 0.44 1.77 -0.17 2.24 0.00 -1.26 -4.64 120.51 118.89 2k36 n ALA 10 Ca 0.05 -2.91 -0.08 0.00 0.00 0.00 0.00 53.44 50.50 2k36 n ALA 10 Cb 0.59 -3.66 0.01 0.00 0.00 0.00 0.00 19.45 16.40 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 5.03 1.19 -2.64 0.00 3.04 -1.95 -3.44 116.25 117.47 2k36 h VAL 11 Ca 0.30 -0.52 -0.60 0.00 -1.01 0.00 0.00 66.70 64.87 2k36 h VAL 11 Cb 0.73 0.62 0.10 0.00 -2.01 0.00 0.00 31.29 30.73 2k36 h VAL 11 CO 1.87 0.21 0.31 2.22 -1.01 0.00 0.00 177.57 181.17 2k36 n PHE 12 N -4.62 1.66 -0.08 3.17 1.16 -1.26 -4.93 117.46 112.56 2k36 n PHE 12 Ca 0.02 0.62 -0.13 0.00 -1.87 0.00 0.00 57.45 56.09 2k36 n PHE 12 Cb 0.11 -2.33 -0.07 0.00 -1.61 0.00 0.00 39.48 35.58 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 0.67 0.00 1.80 2.97 9.36 -1.26 -4.46 117.16 126.25 2k36 n TYR 13 Ca 0.09 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.47 2k36 n TYR 13 Cb 0.32 -0.63 0.82 0.00 -0.63 0.00 0.00 39.34 39.22 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 -3.16 0.00 -0.15 2.98 3.72 -1.26 -3.61 117.46 115.99 2k36 n PHE 14 Ca -0.30 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.00 2k36 n PHE 14 Cb 0.79 -0.04 -0.08 0.00 -0.94 0.00 0.00 39.48 39.22 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 0.53 0.00 -0.60 -4.37 3.04 -1.97 -2.58 116.25 110.30 2k36 h VAL 15 Ca 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 2k36 h VAL 15 Cb 0.15 0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 29.41 2k36 h VAL 15 CO 0.00 0.00 0.05 -0.67 -1.01 0.00 0.00 177.57 175.94 2k36 n ASP 16 N -4.71 5.54 -0.25 3.17 2.03 -1.24 -1.80 116.55 119.29 2k36 n ASP 16 Ca -0.02 -3.00 0.14 0.00 0.52 0.00 0.00 54.79 52.43 2k36 n ASP 16 Cb 0.24 -0.70 0.42 0.00 -0.72 0.00 0.00 41.12 40.37 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 3.68 0.56 0.00 1.67 3.58 -1.56 -3.42 116.42 120.94 2k36 h ASP 17 Ca 0.05 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2k36 h ASP 17 Cb 2.05 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 43.03 2k36 h ASP 17 CO 0.54 0.27 0.00 -0.67 -2.88 0.00 0.00 179.24 176.50 2k36 n ASP 18 N -4.55 0.00 -4.57 2.28 2.03 -1.26 -4.87 116.55 105.61 2k36 n ASP 18 Ca 0.18 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.21 2k36 n ASP 18 Cb 0.53 -0.12 -0.10 0.00 -0.72 0.00 0.00 41.12 40.71 2k36 n ASP 18 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2k36 s LYS 19 N 0.00 1.94 0.13 -0.67 -2.85 -1.26 -4.18 119.74 112.84 2k36 s LYS 19 Ca 0.00 -2.13 -0.30 0.00 -1.00 0.00 0.00 55.97 52.54 2k36 s LYS 19 Cb 0.00 -1.36 -0.06 0.00 -2.06 0.00 0.00 37.83 34.34 2k36 s LYS 19 CO 0.00 -0.18 1.09 -1.50 0.10 0.00 0.00 175.35 174.86 2k36 s ILE 20 N -2.92 4.08 0.00 3.79 1.10 -1.26 -4.72 121.20 121.27 2k36 s ILE 20 Ca 0.28 1.68 0.00 0.00 -0.51 0.00 0.00 60.65 62.10 2k36 s ILE 20 Cb 0.07 -4.07 0.00 0.00 0.15 0.00 0.00 42.46 38.61 2k36 s ILE 20 CO 0.14 0.23 0.00 0.00 -2.11 0.00 0.00 174.94 173.20 2k36 s SER 22 N -1.00 4.58 0.26 0.00 0.15 -1.26 -4.93 113.70 111.50 2k36 s SER 22 Ca 0.00 1.59 -0.02 0.00 0.70 0.00 0.00 55.95 58.22 2k36 s SER 22 Cb 0.00 -2.35 0.44 0.00 -1.71 0.00 0.00 66.02 62.40 2k36 s SER 22 CO 0.00 -1.95 1.86 0.03 1.20 0.00 0.00 173.24 174.37 2k36 h ARG 23 N -1.07 1.03 0.00 5.44 3.08 -1.99 -1.52 114.38 119.35 2k36 h ARG 23 Ca -0.45 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2k36 h ARG 23 Cb 1.24 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2k36 h ARG 23 CO 0.55 0.68 0.00 -3.47 -1.07 0.00 0.00 179.97 176.66 2k36 n ASP 24 N -4.58 0.00 -0.00 7.04 2.03 -1.26 -2.68 116.55 117.11 2k36 n ASP 24 Ca 0.16 0.06 0.07 0.00 0.52 0.00 0.00 54.79 55.60 2k36 n ASP 24 Cb 0.24 -0.31 -0.10 0.00 -0.72 0.00 0.00 41.12 40.23 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 -1.31 1.02 -0.18 1.67 2.88 -0.59 -3.86 113.62 113.26 2k36 n SER 25 Ca 0.09 -0.52 0.13 0.00 -1.33 0.00 0.00 58.87 57.24 2k36 n SER 25 Cb 0.17 1.26 0.39 0.00 -0.75 0.00 0.00 64.21 65.28 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 -1.61 0.00 0.07 2.46 2.08 -1.09 -2.53 119.36 118.74 2k36 n ILE 26 Ca 0.01 -0.09 -0.11 0.00 0.56 0.00 0.00 62.75 63.12 2k36 n ILE 26 Cb 0.29 0.28 -0.07 0.00 -0.75 0.00 0.00 39.64 39.39 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 0.87 0.76 0.00 1.39 1.08 -1.67 -2.95 117.51 117.00 2k36 h ILE 27 Ca 0.00 -1.04 -0.10 0.00 -0.39 0.00 0.00 64.86 63.33 2k36 h ILE 27 Cb 0.48 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 2k36 h ILE 27 CO 0.00 0.19 -0.48 0.44 -0.69 0.00 0.00 178.15 177.61 2k36 h ASP 28 N -0.87 0.00 -0.35 1.72 5.19 -1.73 -3.31 116.42 117.08 2k36 h ASP 28 Ca -0.03 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2k36 h ASP 28 Cb 0.51 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 2k36 h ASP 28 CO 0.04 0.48 0.20 0.25 -3.12 0.00 0.00 179.24 177.09 2k36 h LEU 29 N 0.00 0.43 -2.10 1.55 5.85 -1.49 -1.73 115.31 117.82 2k36 h LEU 29 Ca -0.00 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2k36 h LEU 29 Cb 0.95 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 2k36 h LEU 29 CO 0.06 0.37 0.02 0.40 -0.34 0.00 0.00 178.44 178.95 2k36 h ILE 30 N 0.44 0.89 -0.05 4.05 1.08 -1.60 0.13 117.51 122.45 2k36 h ILE 30 Ca 0.12 0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 64.43 2k36 h ILE 30 Cb 0.04 0.99 0.01 0.00 -3.07 0.00 0.00 36.82 34.79 2k36 h ILE 30 CO -0.02 0.00 -0.62 -0.78 -0.69 0.00 0.00 178.15 176.04 2k36 h ASP 31 N 0.00 0.63 0.07 1.72 3.58 -1.53 -3.00 116.42 117.88 2k36 h ASP 31 Ca 0.01 -0.71 0.01 0.00 0.42 0.00 0.00 57.03 56.76 2k36 h ASP 31 Cb 0.05 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2k36 h ASP 31 CO -0.00 1.24 -0.09 -0.33 -2.88 0.00 0.00 179.24 177.18 2k36 h GLU 32 N 0.07 -0.18 0.62 0.28 4.39 -0.27 -0.39 114.58 119.10 2k36 h GLU 32 Ca -0.06 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2k36 h GLU 32 Cb 1.29 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.99 2k36 h GLU 32 CO 0.12 -0.12 -0.30 -0.92 -1.16 0.00 0.00 179.01 176.64 2k36 h TYR 33 N -0.19 -0.77 -0.92 4.33 3.20 -0.96 0.93 116.97 122.59 2k36 h TYR 33 Ca 0.01 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.03 2k36 h TYR 33 Cb 0.19 0.26 -0.10 0.00 1.54 0.00 0.00 36.73 38.61 2k36 h TYR 33 CO -0.12 -0.45 0.51 0.82 -1.64 0.00 0.00 178.16 177.29 2k36 h ILE 34 N -0.94 0.71 -0.21 1.81 1.08 -1.55 0.51 117.51 118.92 2k36 h ILE 34 Ca -0.09 -0.23 -0.16 0.00 -0.39 0.00 0.00 64.86 63.99 2k36 h ILE 34 Cb 0.67 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 2k36 h ILE 34 CO 0.14 0.12 -0.53 0.74 -0.69 0.00 0.00 178.15 177.94 2k36 h THR 35 N 0.68 1.31 -0.40 -0.27 2.02 -0.74 -3.14 112.91 112.38 2k36 h THR 35 Ca 0.52 -1.76 -0.12 0.00 0.77 0.00 0.00 66.41 65.83 2k36 h THR 35 Cb 0.78 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 2k36 h THR 35 CO -0.38 0.55 -0.22 -0.25 0.37 0.00 0.00 175.52 175.59 2k36 h TRP 36 N 0.46 0.90 -0.03 3.16 7.01 0.31 0.20 115.95 127.96 2k36 h TRP 36 Ca 0.01 -0.21 0.01 0.00 2.11 0.00 0.00 58.89 60.82 2k36 h TRP 36 Cb 1.07 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 27.92 2k36 h TRP 36 CO 0.05 0.94 0.05 0.00 -2.79 0.00 0.00 178.44 176.69 2k36 h ARG 37 N 0.69 0.00 0.13 2.65 2.47 -0.07 -0.55 114.38 119.70 2k36 h ARG 37 Ca 0.09 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.51 2k36 h ARG 37 Cb 0.74 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 2k36 h ARG 37 CO 0.06 0.00 -1.58 -0.97 0.56 0.00 0.00 179.97 178.04 2k36 h ASN 38 N 0.00 0.44 -0.70 7.04 -0.73 -1.14 -3.36 115.58 117.13 2k36 h ASN 38 Ca 0.01 -0.88 0.16 0.00 1.87 0.00 0.00 56.30 57.46 2k36 h ASN 38 Cb 0.12 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.52 2k36 h ASN 38 CO -0.00 1.70 0.48 -0.74 -0.37 0.00 0.00 177.43 178.49 2k36 h HIS 39 N -0.16 0.33 0.00 0.67 2.76 0.90 0.28 115.15 119.93 2k36 h HIS 39 Ca -0.33 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 57.84 2k36 h HIS 39 Cb 1.88 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 30.74 2k36 h HIS 39 CO 0.11 0.12 -0.01 0.28 -1.30 0.00 0.00 177.93 177.13 2k36 h VAL 40 N 0.28 0.03 0.00 5.26 2.07 -1.48 -3.01 116.25 119.39 2k36 h VAL 40 Ca 0.34 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2k36 h VAL 40 Cb 0.94 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2k36 h VAL 40 CO -0.08 0.01 -0.67 -0.38 0.02 0.00 0.00 177.57 176.47 2k36 n ILE 41 N -3.11 1.26 -0.06 4.57 2.08 0.87 -0.97 119.36 124.00 2k36 n ILE 41 Ca 0.01 0.22 -0.07 0.00 0.56 0.00 0.00 62.75 63.46 2k36 n ILE 41 Cb 0.33 -2.25 -0.01 0.00 -0.75 0.00 0.00 39.64 36.96 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 -0.86 0.45 -0.00 1.39 -1.51 -1.30 -0.79 116.25 113.64 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 0.67 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 2k36 h VAL 42 CO 0.00 0.00 -0.34 0.49 -1.23 0.00 0.00 177.57 176.49 2k36 n PHE 43 N -5.36 0.00 -3.67 5.19 3.01 -1.14 -4.87 117.46 110.62 2k36 n PHE 43 Ca -0.00 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 2k36 n PHE 43 Cb 0.27 -0.29 0.04 0.00 -0.01 0.00 0.00 39.48 39.49 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 -1.39 -1.53 -2.90 4.37 2.85 -0.30 -4.65 115.26 111.70 2k36 n ASN 44 Ca 0.07 -0.79 0.00 0.00 -0.11 0.00 0.00 54.58 53.75 2k36 n ASN 44 Cb 0.33 -4.21 0.00 0.00 1.24 0.00 0.00 39.78 37.14 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 -4.28 -0.59 -4.19 1.20 5.02 -0.14 -4.92 118.16 110.25 2k36 n LYS 45 Ca -0.28 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.66 2k36 n LYS 45 Cb 0.67 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.60 2k36 n LYS 45 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2k36 s ASP 46 N -1.61 5.65 0.33 4.39 -1.08 -1.26 -4.81 116.67 118.27 2k36 s ASP 46 Ca 0.00 0.26 0.15 0.00 -0.52 0.00 0.00 52.55 52.44 2k36 s ASP 46 Cb 0.00 -1.69 0.55 0.00 -1.46 0.00 0.00 42.92 40.32 2k36 s ASP 46 CO 0.00 0.39 1.69 -0.29 0.52 0.00 0.00 175.17 177.48 2k36 h ILE 47 N 4.11 1.15 0.00 4.11 6.09 -1.96 -2.79 117.51 128.22 2k36 h ILE 47 Ca -0.52 -1.74 0.00 0.00 -1.37 0.00 0.00 64.86 61.23 2k36 h ILE 47 Cb 1.20 1.99 0.00 0.00 0.47 0.00 0.00 36.82 40.49 2k36 h ILE 47 CO 0.56 0.47 -0.28 0.35 -3.07 0.00 0.00 178.15 176.17 2k36 n THR 48 N -3.69 0.27 -2.38 2.19 -2.24 -1.26 -4.52 114.28 102.65 2k36 n THR 48 Ca -0.01 -0.16 -0.37 0.00 -2.27 0.00 0.00 64.05 61.25 2k36 n THR 48 Cb 0.54 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 2k36 n THR 48 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k36 s SER 49 N -3.78 6.10 0.00 3.42 0.15 -1.05 -4.77 113.70 113.78 2k36 s SER 49 Ca 0.10 -1.98 0.00 0.00 0.70 0.00 0.00 55.95 54.77 2k36 s SER 49 Cb 0.15 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2k36 s SER 49 CO 0.64 -1.93 0.00 0.00 1.20 0.00 0.00 173.24 173.14 2k36 n GLY 51 N -0.08 1.35 0.11 0.00 0.00 -0.75 -4.85 105.19 100.98 2k36 n GLY 51 Ca 0.00 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.19 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 0.20 -0.59 1.61 2.47 -1.80 -3.42 114.38 112.85 2k36 h ARG 52 Ca 0.00 -0.35 0.12 0.00 -1.26 0.00 0.00 59.98 58.49 2k36 h ARG 52 Cb 0.00 0.13 -0.11 0.00 -1.65 0.00 0.00 29.97 28.34 2k36 h ARG 52 CO 0.00 1.17 -0.06 1.25 0.56 0.00 0.00 179.97 182.89 2k36 h LEU 53 N -0.47 -0.38 -0.84 3.04 6.46 -1.81 -2.63 115.31 118.67 2k36 h LEU 53 Ca -0.24 0.16 -0.08 0.00 -0.12 0.00 0.00 57.88 57.60 2k36 h LEU 53 Cb 1.61 0.31 -0.02 0.00 -0.73 0.00 0.00 40.66 41.82 2k36 h LEU 53 CO 0.04 -0.15 -0.04 0.10 -0.62 0.00 0.00 178.44 177.78 2k36 h TYR 54 N 0.06 0.89 -1.03 1.25 -0.00 -1.81 -2.78 116.97 113.55 2k36 h TYR 54 Ca 0.30 -0.14 0.32 0.00 -0.00 0.00 0.00 58.73 59.21 2k36 h TYR 54 Cb 0.48 -0.24 -0.14 0.00 -0.00 0.00 0.00 36.73 36.83 2k36 h TYR 54 CO -0.41 0.83 0.60 0.87 -0.00 0.00 0.00 178.16 180.05 2k36 h LYS 55 N 0.76 0.32 -0.04 0.10 1.79 -1.73 0.53 116.57 118.30 2k36 h LYS 55 Ca 0.14 -0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.40 2k36 h LYS 55 Cb 0.51 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 2k36 h LYS 55 CO 0.03 0.21 -0.79 1.49 -1.08 0.00 0.00 179.45 179.31 2k36 h GLU 56 N 0.33 0.34 -0.79 3.15 4.57 -1.62 -2.29 114.58 118.27 2k36 h GLU 56 Ca 0.73 -0.31 0.05 0.00 -1.18 0.00 0.00 59.36 58.65 2k36 h GLU 56 Cb 1.70 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 30.32 2k36 h GLU 56 CO -0.56 0.97 0.52 -0.07 -1.18 0.00 0.00 179.01 178.69 2k36 h LEU 57 N 0.22 0.79 -1.75 1.64 -0.00 -1.01 -1.13 115.31 114.07 2k36 h LEU 57 Ca -0.04 -0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.95 2k36 h LEU 57 Cb 1.39 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.84 2k36 h LEU 57 CO 0.13 0.53 0.38 0.24 -0.00 0.00 0.00 178.44 179.72 2k36 h MET 58 N 0.91 0.27 0.00 1.13 2.86 -0.78 0.12 114.93 119.44 2k36 h MET 58 Ca 0.33 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2k36 h MET 58 Cb 0.14 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2k36 h MET 58 CO -0.10 0.18 0.00 1.63 1.06 0.00 0.00 176.91 179.67 2k36 n LYS 59 N -4.45 0.06 0.10 1.72 5.02 -0.43 -0.91 118.16 119.26 2k36 n LYS 59 Ca 0.09 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.61 2k36 n LYS 59 Cb 0.43 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.09 2k36 n LYS 59 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2k36 h PHE 60 N 0.00 0.00 -0.34 2.13 0.04 -0.75 -1.31 116.94 116.71 2k36 h PHE 60 Ca 0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 2k36 h PHE 60 Cb 0.35 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 2k36 h PHE 60 CO 0.00 0.00 -0.36 0.22 -0.60 0.00 0.00 178.31 177.57 2k36 h ASP 61 N 0.00 0.83 0.21 2.17 3.58 -0.94 -2.51 116.42 119.75 2k36 h ASP 61 Ca 0.00 -0.36 -0.32 0.00 0.42 0.00 0.00 57.03 56.77 2k36 h ASP 61 Cb 0.85 -0.23 0.03 0.00 1.72 0.00 0.00 39.33 41.71 2k36 h ASP 61 CO 0.00 1.10 -1.36 -0.78 -2.88 0.00 0.00 179.24 175.33 2k36 h ASP 62 N 0.65 0.85 -0.21 2.28 3.58 -1.46 -1.23 116.42 120.88 2k36 h ASP 62 Ca 0.06 -0.85 -0.03 0.00 0.42 0.00 0.00 57.03 56.64 2k36 h ASP 62 Cb 0.91 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 2k36 h ASP 62 CO 0.08 1.65 0.06 1.62 -2.88 0.00 0.00 179.24 179.77 2k36 h VAL 63 N 0.21 1.15 -0.11 2.25 3.04 -1.26 0.62 116.25 122.15 2k36 h VAL 63 Ca -0.22 -0.53 -0.15 0.00 -1.01 0.00 0.00 66.70 64.79 2k36 h VAL 63 Cb 2.04 0.87 0.01 0.00 -2.01 0.00 0.00 31.29 32.19 2k36 h VAL 63 CO 0.26 0.19 -0.53 0.00 -1.01 0.00 0.00 177.57 176.47 2k36 h ALA 64 N 1.65 0.22 -0.65 3.17 0.00 -1.34 0.69 119.26 123.00 2k36 h ALA 64 Ca 0.10 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.55 2k36 h ALA 64 Cb 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2k36 h ALA 64 CO -0.00 0.42 0.43 0.82 0.00 0.00 0.00 179.25 180.92 2k36 h ILE 65 N 0.18 1.03 -0.30 0.00 2.04 -0.33 0.56 117.51 120.70 2k36 h ILE 65 Ca -0.03 -0.24 -0.15 0.00 1.00 0.00 0.00 64.86 65.44 2k36 h ILE 65 Cb 1.17 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2k36 h ILE 65 CO 0.11 0.13 -0.41 -0.09 0.00 0.00 0.00 178.15 177.89 2k36 h ARG 66 N 0.69 0.72 0.00 2.37 2.43 0.35 -2.83 114.38 118.11 2k36 h ARG 66 Ca 0.27 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2k36 h ARG 66 Cb 0.20 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2k36 h ARG 66 CO -0.08 0.99 0.00 0.98 -1.51 0.00 0.00 179.97 180.35 2k36 n TYR 67 N -4.03 0.00 -0.16 2.20 4.19 0.22 -4.56 117.16 115.02 2k36 n TYR 67 Ca -0.02 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.08 2k36 n TYR 67 Cb 0.54 -0.19 -0.00 0.00 0.49 0.00 0.00 39.34 40.17 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 1.02 0.00 2.98 0.05 -0.15 -3.49 116.97 117.38 2k36 h TYR 68 Ca 0.00 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.55 2k36 h TYR 68 Cb 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.49 2k36 h TYR 68 CO 0.00 1.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.52 2k36 n GLY 69 N -0.19 2.80 0.24 3.88 0.00 -0.81 -4.46 105.19 106.65 2k36 n GLY 69 Ca -0.00 -1.60 -0.02 0.00 0.00 0.00 0.00 46.02 44.40 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 0.93 0.07 -0.61 6.09 -1.83 0.20 117.51 122.36 2k36 h ILE 70 Ca 0.00 -0.20 0.02 0.00 -1.37 0.00 0.00 64.86 63.31 2k36 h ILE 70 Cb 0.00 0.30 -0.03 0.00 0.47 0.00 0.00 36.82 37.56 2k36 h ILE 70 CO 0.00 0.11 -0.17 -0.78 -3.07 0.00 0.00 178.15 174.24 2k36 h ASP 71 N 0.58 -0.48 -0.61 2.19 3.58 -1.92 0.25 116.42 120.02 2k36 h ASP 71 Ca 0.28 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.77 2k36 h ASP 71 Cb 0.21 0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 2k36 h ASP 71 CO -0.20 -0.24 0.29 0.11 -2.88 0.00 0.00 179.24 176.32 2k36 h LYS 72 N -0.31 0.88 -0.36 0.28 1.79 -1.62 -0.65 116.57 116.57 2k36 h LYS 72 Ca 0.03 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2k36 h LYS 72 Cb 0.35 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 2k36 h LYS 72 CO -0.11 0.71 0.23 0.82 -1.08 0.00 0.00 179.45 180.01 2k36 h ILE 73 N 0.83 1.11 -0.43 1.86 2.04 -0.25 0.54 117.51 123.21 2k36 h ILE 73 Ca 0.21 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2k36 h ILE 73 Cb 0.12 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 2k36 h ILE 73 CO -0.03 0.11 0.01 0.78 0.00 0.00 0.00 178.15 179.02 2k36 h ASN 74 N 0.48 -0.17 0.14 1.72 2.35 -0.04 0.55 115.58 120.62 2k36 h ASN 74 Ca 0.13 0.10 -0.15 0.00 -0.55 0.00 0.00 56.30 55.83 2k36 h ASN 74 Cb -0.02 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2k36 h ASN 74 CO -0.03 -0.05 -0.53 -0.33 -1.65 0.00 0.00 177.43 174.85 2k36 h GLU 75 N 0.12 0.42 0.14 0.81 5.08 -0.52 -2.99 114.58 117.63 2k36 h GLU 75 Ca 0.21 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2k36 h GLU 75 Cb 0.31 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2k36 h GLU 75 CO -0.35 0.85 -0.07 0.82 -1.00 0.00 0.00 179.01 179.26 2k36 h ILE 76 N 0.33 1.02 -0.20 3.13 5.03 0.67 -2.68 117.51 124.81 2k36 h ILE 76 Ca 0.01 -1.03 0.05 0.00 -0.12 0.00 0.00 64.86 63.77 2k36 h ILE 76 Cb 1.04 1.62 -0.05 0.00 -3.03 0.00 0.00 36.82 36.40 2k36 h ILE 76 CO 0.09 0.23 -0.12 1.62 -0.68 0.00 0.00 178.15 179.29 2k36 h VAL 77 N -0.71 0.63 -0.96 1.67 3.04 0.05 -0.66 116.25 119.32 2k36 h VAL 77 Ca -0.02 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.75 2k36 h VAL 77 Cb 0.52 0.63 -0.07 0.00 -2.01 0.00 0.00 31.29 30.36 2k36 h VAL 77 CO 0.03 0.00 0.61 -0.33 -1.01 0.00 0.00 177.57 176.87 2k36 h GLU 78 N -0.11 1.04 0.01 4.17 5.08 -1.64 -2.33 114.58 120.80 2k36 h GLU 78 Ca 0.11 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2k36 h GLU 78 Cb 0.28 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2k36 h GLU 78 CO -0.27 0.69 -0.04 0.00 -1.00 0.00 0.00 179.01 178.38 2k36 h ALA 79 N 1.46 -0.06 -1.12 3.43 0.00 -0.82 -1.21 119.26 120.94 2k36 h ALA 79 Ca 0.43 -0.00 0.32 0.00 0.00 0.00 0.00 54.91 55.65 2k36 h ALA 79 Cb 0.24 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2k36 h ALA 79 CO -0.20 -0.54 0.78 0.52 0.00 0.00 0.00 179.25 179.81 2k36 h MET 80 N -0.09 0.11 0.00 0.00 2.86 -0.67 0.12 114.93 117.26 2k36 h MET 80 Ca 0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2k36 h MET 80 Cb 0.10 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2k36 h MET 80 CO -0.04 0.07 0.00 0.43 1.06 0.00 0.00 176.91 178.43 2k36 n SER 81 N -4.32 0.00 -0.69 1.22 7.64 -0.46 -1.40 113.62 115.61 2k36 n SER 81 Ca 0.25 0.44 0.10 0.00 1.01 0.00 0.00 58.87 60.66 2k36 n SER 81 Cb 1.12 -0.48 0.06 0.00 -1.01 0.00 0.00 64.21 63.90 2k36 n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k36 n GLU 82 N -1.48 1.68 -0.90 1.43 1.02 0.40 -4.37 120.64 118.42 2k36 n GLU 82 Ca 0.07 -1.45 0.00 0.00 -0.02 0.00 0.00 57.16 55.75 2k36 n GLU 82 Cb 0.28 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.16 0.60 2.83 0.62 0.00 -0.49 -4.76 105.19 105.14 2k36 n GLY 83 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.12 0.84 0.42 1.61 -1.08 -1.18 -4.82 116.67 110.34 2k36 s ASP 84 Ca 0.00 -0.07 0.04 0.00 -0.52 0.00 0.00 52.55 52.01 2k36 s ASP 84 Cb 0.00 -0.33 -0.02 0.00 -1.46 0.00 0.00 42.92 41.11 2k36 s ASP 84 CO 0.00 -0.11 0.16 -1.38 0.52 0.00 0.00 175.17 174.36 2k36 s HIS 85 N 1.21 1.78 -0.43 -5.34 -3.43 -1.26 -3.85 115.29 103.98 2k36 s HIS 85 Ca -0.07 -1.39 0.07 0.00 -0.80 0.00 0.00 55.06 52.88 2k36 s HIS 85 Cb -0.13 -1.11 0.24 0.00 -1.43 0.00 0.00 32.58 30.15 2k36 s HIS 85 CO -0.02 -0.41 0.61 2.48 -2.00 0.00 0.00 174.74 175.41 2k36 n TYR 86 N -0.94 -1.43 -3.49 0.38 0.18 -1.26 -5.09 117.16 105.51 2k36 n TYR 86 Ca -0.05 -2.92 -0.37 0.00 1.88 0.00 0.00 57.90 56.44 2k36 n TYR 86 Cb 0.64 0.34 -0.07 0.00 -0.38 0.00 0.00 39.34 39.87 2k36 n TYR 86 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 2k36 s ILE 87 N -0.43 5.25 0.72 -3.48 -1.09 -1.26 -5.08 121.20 115.83 2k36 s ILE 87 Ca 0.34 0.67 0.01 0.00 -2.23 0.00 0.00 60.65 59.44 2k36 s ILE 87 Cb 0.16 -3.68 0.13 0.00 -1.58 0.00 0.00 42.46 37.50 2k36 s ILE 87 CO -0.15 0.40 0.99 0.20 -1.23 0.00 0.00 174.94 175.15 2k36 s ASN 88 N 0.27 4.35 0.11 3.58 -0.87 -1.26 -5.11 114.94 116.01 2k36 s ASN 88 Ca 0.20 -0.48 0.04 0.00 -1.57 0.00 0.00 52.86 51.04 2k36 s ASN 88 Cb -0.14 0.13 -0.04 0.00 -0.02 0.00 0.00 41.25 41.19 2k36 s ASN 88 CO 0.07 -1.87 0.10 0.72 -2.57 0.00 0.00 177.10 173.55 2k36 s PHE 89 N -3.11 3.17 -0.68 2.20 -0.12 -1.26 -5.05 117.98 113.13 2k36 s PHE 89 Ca 0.67 0.04 -0.27 0.00 -0.05 0.00 0.00 56.93 57.31 2k36 s PHE 89 Cb -0.05 -1.58 0.02 0.00 -0.63 0.00 0.00 43.02 40.78 2k36 s PHE 89 CO 0.44 0.52 1.43 0.95 -0.05 0.00 0.00 175.22 178.52 2k36 s THR 90 N -1.54 3.65 0.08 -4.49 -4.23 -1.26 -4.89 115.64 102.95 2k36 s THR 90 Ca 0.30 0.40 -0.33 0.00 -1.18 0.00 0.00 61.69 60.88 2k36 s THR 90 Cb -0.11 -4.62 -0.16 0.00 1.34 0.00 0.00 72.50 68.94 2k36 s THR 90 CO 0.23 -1.54 1.52 0.50 -0.54 0.00 0.00 174.62 174.78 2k36 h LYS 91 N 11.33 -0.93 -6.18 3.99 3.64 -2.03 -3.37 116.57 123.03 2k36 h LYS 91 Ca -0.27 0.06 -0.59 0.00 -1.27 0.00 0.00 60.65 58.58 2k36 h LYS 91 Cb 1.08 0.21 -0.10 0.00 -0.41 0.00 0.00 32.23 33.02 2k36 h LYS 91 CO 1.25 -0.62 0.63 0.14 -2.27 0.00 0.00 179.45 178.58 2k36 s VAL 92 N -5.64 4.50 -0.13 2.00 -7.23 -1.26 -4.94 120.40 107.69 2k36 s VAL 92 Ca -0.17 1.01 -0.06 0.00 -1.81 0.00 0.00 61.98 60.95 2k36 s VAL 92 Cb 0.04 -4.40 -0.25 0.00 0.56 0.00 0.00 36.38 32.32 2k36 s VAL 92 CO 0.56 -0.71 3.52 0.00 -0.31 0.00 0.00 175.10 178.15 2k36 n HIS 93 N 7.05 0.20 -2.70 2.82 1.44 -1.26 -4.73 115.22 118.03 2k36 n HIS 93 Ca 0.07 -1.61 -0.31 0.00 -2.01 0.00 0.00 57.72 53.86 2k36 n HIS 93 Cb 0.48 -1.65 -0.04 0.00 0.12 0.00 0.00 29.99 28.90 2k36 n HIS 93 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2k36 s ASP 94 N 2.03 6.59 0.33 4.39 1.11 -1.26 -4.90 116.67 124.96 2k36 s ASP 94 Ca 0.66 1.32 0.09 0.00 0.18 0.00 0.00 52.55 54.80 2k36 s ASP 94 Cb 0.30 -2.40 0.83 0.00 1.07 0.00 0.00 42.92 42.72 2k36 s ASP 94 CO -0.00 -0.45 1.78 -0.61 1.18 0.00 0.00 175.17 177.06 2k36 h GLN 95 N 1.22 0.65 -0.61 8.23 4.15 -1.98 1.00 115.11 127.77 2k36 h GLN 95 Ca -0.47 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 58.91 2k36 h GLN 95 Cb 1.19 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.70 2k36 h GLN 95 CO 0.63 0.43 0.36 1.49 -1.93 0.00 0.00 178.83 179.81 2k36 h GLU 96 N 0.67 0.82 -0.14 1.69 4.81 -1.95 0.13 114.58 120.61 2k36 h GLU 96 Ca 0.58 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.55 2k36 h GLU 96 Cb 1.02 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 2k36 h GLU 96 CO -0.36 0.58 -0.68 0.77 -0.73 0.00 0.00 179.01 178.59 2k36 h SER 97 N 0.84 0.67 0.18 1.04 0.02 -1.21 -1.92 113.55 113.16 2k36 h SER 97 Ca 0.22 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 2k36 h SER 97 Cb -0.02 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2k36 h SER 97 CO -0.04 1.16 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.65 2k36 h LEU 98 N 0.41 -0.21 -0.99 5.07 3.38 0.59 -1.44 115.31 122.13 2k36 h LEU 98 Ca -0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2k36 h LEU 98 Cb 1.26 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 2k36 h LEU 98 CO 0.13 -0.09 0.31 -0.26 0.09 0.00 0.00 178.44 178.61 2k36 h PHE 99 N -0.30 1.03 -0.40 1.13 -1.00 -0.87 -2.16 116.94 114.37 2k36 h PHE 99 Ca -0.02 -0.06 0.07 0.00 2.81 0.00 0.00 57.97 60.77 2k36 h PHE 99 Cb 0.24 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 2k36 h PHE 99 CO -0.05 0.77 0.27 0.00 -1.61 0.00 0.00 178.31 177.70 2k36 h ALA 100 N 1.32 2.05 -0.20 2.45 0.00 -0.92 -0.86 119.26 123.11 2k36 h ALA 100 Ca 0.24 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2k36 h ALA 100 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k36 h ALA 100 CO -0.03 -0.13 -0.19 1.15 0.00 0.00 0.00 179.25 180.05 2k36 h THR 101 N 0.25 1.23 0.17 0.00 2.02 -0.58 -1.66 112.91 114.34 2k36 h THR 101 Ca 0.18 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 2k36 h THR 101 Cb 0.39 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2k36 h THR 101 CO -0.03 0.33 -0.08 0.40 0.37 0.00 0.00 175.52 176.50 2k36 h ILE 102 N 0.32 0.88 -0.70 3.11 5.03 -1.20 -2.98 117.51 121.98 2k36 h ILE 102 Ca 0.06 -1.02 -0.07 0.00 -0.12 0.00 0.00 64.86 63.70 2k36 h ILE 102 Cb 0.52 1.43 -0.03 0.00 -3.03 0.00 0.00 36.82 35.71 2k36 h ILE 102 CO 0.03 0.21 0.15 1.23 -0.68 0.00 0.00 178.15 179.09 2k36 h GLY 103 N -0.80 1.21 1.15 5.37 0.00 -1.40 0.44 103.07 109.05 2k36 h GLY 103 Ca -0.02 -0.78 0.03 0.00 0.00 0.00 0.00 47.33 46.55 2k36 h GLY 103 CO 0.04 0.72 0.51 1.19 0.00 0.00 0.00 176.54 179.01 2k36 h ILE 104 N 1.06 1.14 -0.01 2.60 6.09 -1.42 0.73 117.51 127.70 2k36 h ILE 104 Ca 0.22 -0.34 -0.14 0.00 -1.37 0.00 0.00 64.86 63.23 2k36 h ILE 104 Cb 0.40 0.08 -0.02 0.00 0.47 0.00 0.00 36.82 37.75 2k36 h ILE 104 CO 0.01 0.18 -0.63 0.00 -3.07 0.00 0.00 178.15 174.63 2k36 h ALA 106 N 1.33 0.59 -0.06 0.00 0.00 0.13 -2.01 119.26 119.24 2k36 h ALA 106 Ca -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2k36 h ALA 106 Cb 1.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2k36 h ALA 106 CO 0.08 0.68 -0.01 0.87 0.00 0.00 0.00 179.25 180.87 2k36 h LYS 107 N 0.61 0.09 0.01 0.00 1.79 -1.13 -2.08 116.57 115.86 2k36 h LYS 107 Ca 0.03 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2k36 h LYS 107 Cb 1.07 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2k36 h LYS 107 CO 0.11 0.11 -0.01 0.82 -1.08 0.00 0.00 179.45 179.40 2k36 h ILE 108 N 0.09 1.51 -0.84 1.86 2.04 -1.54 -3.07 117.51 117.56 2k36 h ILE 108 Ca 0.02 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 63.96 2k36 h ILE 108 Cb 0.09 2.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.88 2k36 h ILE 108 CO 0.00 0.47 0.49 0.00 0.00 0.00 0.00 178.15 179.12 2k36 h THR 109 N -0.89 1.23 -0.30 -0.27 1.03 -1.13 -2.66 112.91 109.93 2k36 h THR 109 Ca -0.00 -0.53 -0.18 0.00 -0.01 0.00 0.00 66.41 65.69 2k36 h THR 109 Cb 0.79 0.07 -0.00 0.00 -1.07 0.00 0.00 68.15 67.93 2k36 h THR 109 CO 0.00 0.25 -0.51 1.05 -0.01 0.00 0.00 175.52 176.30 2k36 h GLU 110 N 1.16 0.85 -0.09 0.00 4.11 -1.51 -3.01 114.58 116.08 2k36 h GLU 110 Ca 0.30 -0.52 0.03 0.00 0.07 0.00 0.00 59.36 59.24 2k36 h GLU 110 Cb -0.03 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2k36 h GLU 110 CO -0.05 1.15 0.07 1.25 0.07 0.00 0.00 179.01 181.50 2k36 h HIS 111 N 0.66 0.00 0.00 2.06 2.76 -1.37 -2.25 115.15 117.01 2k36 h HIS 111 Ca 0.02 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2k36 h HIS 111 Cb 1.11 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.07 2k36 h HIS 111 CO 0.07 0.00 -0.08 -1.49 -1.30 0.00 0.00 177.93 175.12 2k36 h TRP 112 N 0.00 0.00 -0.71 5.26 6.55 -1.38 -3.35 115.95 122.32 2k36 h TRP 112 Ca 0.04 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.83 2k36 h TRP 112 Cb 0.19 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.46 2k36 h TRP 112 CO 0.00 0.08 0.25 0.78 -1.05 0.00 0.00 178.44 178.50 2k36 h GLY 113 N 3.37 1.16 0.57 1.49 0.00 -1.51 0.63 103.07 108.79 2k36 h GLY 113 Ca -0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 2k36 h GLY 113 CO 0.01 0.62 -0.38 -0.97 0.00 0.00 0.00 176.54 175.83 2k36 h TYR 114 N 1.03 -1.03 -0.26 5.60 0.05 -1.77 -2.89 116.97 117.70 2k36 h TYR 114 Ca 0.23 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.02 2k36 h TYR 114 Cb 0.26 0.41 0.00 0.00 1.01 0.00 0.00 36.73 38.41 2k36 h TYR 114 CO 0.02 -0.52 0.00 0.36 -1.05 0.00 0.00 178.16 176.97 2k36 n LYS 115 N -5.47 2.85 -3.27 4.88 2.85 -1.25 -4.89 118.16 113.86 2k36 n LYS 115 Ca -0.10 -2.72 -0.15 0.00 -1.05 0.00 0.00 58.31 54.29 2k36 n LYS 115 Cb 0.38 -1.75 0.07 0.00 -0.65 0.00 0.00 35.03 33.08 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 -0.41 -2.42 -2.62 -1.58 5.02 -0.02 -4.95 118.16 111.18 2k36 n LYS 116 Ca 0.20 0.86 -0.34 0.00 -2.02 0.00 0.00 58.31 57.01 2k36 n LYS 116 Cb 0.82 -5.81 -0.05 0.00 -0.02 0.00 0.00 35.03 29.97 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 -3.39 4.00 0.00 -0.18 1.01 0.20 -4.71 121.20 118.13 2k36 s ILE 117 Ca 0.44 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.32 2k36 s ILE 117 Cb -0.06 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.91 2k36 s ILE 117 CO 0.74 -0.28 0.00 -0.24 0.00 0.00 0.00 174.94 175.16 2k36 n SER 118 N -0.90 0.00 -4.31 3.58 2.88 -1.26 -4.81 113.62 108.80 2k36 n SER 118 Ca 0.08 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.25 2k36 n SER 118 Cb 0.53 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 2k36 n SER 118 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k36 n GLU 119 N 0.00 -2.53 -3.34 -1.46 1.02 -1.26 -3.50 120.64 109.57 2k36 n GLU 119 Ca 0.00 0.31 -0.41 0.00 -0.02 0.00 0.00 57.16 57.04 2k36 n GLU 119 Cb 0.00 -4.99 -0.09 0.00 -0.02 0.00 0.00 31.44 26.34 2k36 n GLU 119 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2k36 s SER 120 N -3.30 6.22 0.27 1.62 1.04 -1.26 -4.61 113.70 113.69 2k36 s SER 120 Ca 0.75 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.95 2k36 s SER 120 Cb -0.42 -2.22 0.39 0.00 0.10 0.00 0.00 66.02 63.86 2k36 s SER 120 CO 0.95 -0.42 1.76 0.03 0.98 0.00 0.00 173.24 176.54 2k36 h ARG 121 N 8.50 0.66 -4.65 4.02 3.08 -1.89 -3.37 114.38 120.74 2k36 h ARG 121 Ca -0.29 -0.20 -0.68 0.00 0.07 0.00 0.00 59.98 58.89 2k36 h ARG 121 Cb 1.13 -0.07 -0.36 0.00 0.08 0.00 0.00 29.97 30.76 2k36 h ARG 121 CO 0.73 0.74 -0.66 -0.06 -1.07 0.00 0.00 179.97 179.66 2k36 s PHE 122 N -4.82 3.51 -0.40 3.04 0.40 -1.26 -5.07 117.98 113.39 2k36 s PHE 122 Ca -0.08 -2.39 -0.28 0.00 -0.60 0.00 0.00 56.93 53.57 2k36 s PHE 122 Cb 0.14 -2.71 -0.02 0.00 0.51 0.00 0.00 43.02 40.95 2k36 s PHE 122 CO 0.80 -0.91 1.76 -0.65 0.70 0.00 0.00 175.22 176.92 2k36 s GLN 123 N 1.11 3.22 -1.36 0.44 1.11 -1.26 -4.89 119.66 118.03 2k36 s GLN 123 Ca 0.03 1.19 -0.10 0.00 0.01 0.00 0.00 55.36 56.50 2k36 s GLN 123 Cb -0.21 -4.21 0.11 0.00 -1.01 0.00 0.00 33.01 27.69 2k36 s GLN 123 CO -0.04 -2.00 2.14 0.45 0.01 0.00 0.00 175.29 175.84 2k36 n SER 124 N 10.62 5.74 -2.38 5.90 2.88 -1.26 -4.89 113.62 130.22 2k36 n SER 124 Ca 0.22 -3.02 -0.12 0.00 -1.33 0.00 0.00 58.87 54.62 2k36 n SER 124 Cb 0.48 -1.50 -0.04 0.00 -0.75 0.00 0.00 64.21 62.40 2k36 n SER 124 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k36 n LEU 125 N 3.86 0.00 0.00 2.46 -0.00 -1.26 -5.04 117.00 117.02 2k36 n LEU 125 Ca 0.50 -1.96 0.00 0.00 -0.00 0.00 0.00 56.01 54.55 2k36 n LEU 125 Cb 0.33 1.19 0.00 0.00 -0.00 0.00 0.00 43.42 44.94 2k36 n LEU 125 CO 0.81 -0.35 0.00 0.61 -0.00 0.00 0.00 177.39 178.46 2k36 n GLY 126 N -0.39 1.42 3.18 1.47 0.00 -1.26 -5.09 105.19 104.52 2k36 n GLY 126 Ca 0.04 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2k36 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k36 s ASN 127 N -0.04 3.28 -0.25 1.61 -0.87 -1.26 -5.00 114.94 112.41 2k36 s ASN 127 Ca 0.00 -0.58 -0.08 0.00 -1.57 0.00 0.00 52.86 50.62 2k36 s ASN 127 Cb 0.00 -1.49 -0.16 0.00 -0.02 0.00 0.00 41.25 39.58 2k36 s ASN 127 CO 0.00 0.05 -0.19 0.00 -2.57 0.00 0.00 177.10 174.39 2k36 n ILE 128 N 4.27 1.54 0.28 0.60 0.13 -1.26 -4.35 119.36 120.57 2k36 n ILE 128 Ca -0.20 -0.44 0.12 0.00 -1.10 0.00 0.00 62.75 61.13 2k36 n ILE 128 Cb 0.51 -1.72 0.80 0.00 -0.84 0.00 0.00 39.64 38.39 2k36 n ILE 128 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 2k36 h THR 129 N -0.54 0.68 0.00 9.51 1.35 -1.91 -2.06 112.91 119.94 2k36 h THR 129 Ca -0.60 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 2k36 h THR 129 Cb 1.73 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 2k36 h THR 129 CO -0.24 0.03 0.00 0.47 -0.25 0.00 0.00 175.52 175.53 2k36 n ASP 130 N -4.00 0.00 0.05 5.36 9.92 -1.26 -1.26 116.55 125.36 2k36 n ASP 130 Ca -0.03 -0.32 0.13 0.00 -0.53 0.00 0.00 54.79 54.04 2k36 n ASP 130 Cb 0.12 -0.08 0.50 0.00 -0.64 0.00 0.00 41.12 41.02 2k36 n ASP 130 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2k36 n LEU 131 N -1.08 0.36 0.00 0.64 0.00 -0.77 -4.84 117.00 111.31 2k36 n LEU 131 Ca 0.10 0.54 0.00 0.00 0.00 0.00 0.00 56.01 56.65 2k36 n LEU 131 Cb 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 43.42 43.05 2k36 n LEU 131 CO 0.09 -0.14 0.00 1.15 0.00 0.00 0.00 177.39 178.49 2k36 n MET 132 N -1.85 0.00 -4.05 1.96 0.00 -0.39 -4.90 117.12 107.90 2k36 n MET 132 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.68 2k36 n MET 132 Cb 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.46 2k36 n MET 132 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2k36 s THR 133 N -2.11 0.20 0.48 3.17 -4.23 -1.26 -4.95 115.64 106.95 2k36 s THR 133 Ca 0.00 -1.41 0.29 0.00 -1.18 0.00 0.00 61.69 59.40 2k36 s THR 133 Cb 0.00 -0.96 0.49 0.00 1.34 0.00 0.00 72.50 73.37 2k36 s THR 133 CO 0.00 -0.76 1.79 -0.78 -0.54 0.00 0.00 174.62 174.33 2k36 h ASP 134 N 3.83 0.18 0.02 3.99 3.58 -1.97 0.72 116.42 126.76 2k36 h ASP 134 Ca -0.33 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.07 2k36 h ASP 134 Cb 1.17 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 2k36 h ASP 134 CO 0.54 0.02 -0.23 -0.78 -2.88 0.00 0.00 179.24 175.92 2k36 h ASP 135 N 0.15 0.35 1.16 2.28 3.58 -2.00 -2.43 116.42 119.51 2k36 h ASP 135 Ca 0.58 -0.10 -0.16 0.00 0.42 0.00 0.00 57.03 57.77 2k36 h ASP 135 Cb 1.97 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.91 2k36 h ASP 135 CO -0.13 0.59 -0.75 -1.13 -2.88 0.00 0.00 179.24 174.93 2k36 h ASN 136 N 0.32 0.00 -0.91 2.28 -0.73 -0.03 -2.86 115.58 113.64 2k36 h ASN 136 Ca 0.05 0.00 0.07 0.00 1.87 0.00 0.00 56.30 58.29 2k36 h ASN 136 Cb 0.58 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.11 2k36 h ASN 136 CO 0.04 0.75 0.59 0.40 -0.37 0.00 0.00 177.43 178.85 2k36 h ILE 137 N 0.00 1.05 -0.48 2.57 5.03 -0.47 0.29 117.51 125.50 2k36 h ILE 137 Ca -0.01 -0.35 -0.06 0.00 -0.12 0.00 0.00 64.86 64.32 2k36 h ILE 137 Cb 1.54 -0.06 -0.02 0.00 -3.03 0.00 0.00 36.82 35.25 2k36 h ILE 137 CO 0.10 0.19 0.06 0.78 -0.68 0.00 0.00 178.15 178.60 2k36 h ASN 138 N 1.01 0.78 -0.69 1.72 2.35 -1.44 0.17 115.58 119.49 2k36 h ASN 138 Ca 0.40 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2k36 h ASN 138 Cb 0.24 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 2k36 h ASN 138 CO -0.16 0.86 0.34 0.40 -1.65 0.00 0.00 177.43 177.22 2k36 h ILE 139 N 0.68 1.23 0.24 2.81 5.03 -1.23 -1.91 117.51 124.35 2k36 h ILE 139 Ca 0.15 -0.62 -0.01 0.00 -0.12 0.00 0.00 64.86 64.25 2k36 h ILE 139 Cb 0.41 0.37 0.00 0.00 -3.03 0.00 0.00 36.82 34.58 2k36 h ILE 139 CO 0.01 0.26 -0.11 0.25 -0.68 0.00 0.00 178.15 177.88 2k36 h LEU 140 N 0.95 -0.27 -0.81 1.44 7.12 0.02 0.31 115.31 124.08 2k36 h LEU 140 Ca 0.24 -0.11 0.16 0.00 0.13 0.00 0.00 57.88 58.30 2k36 h LEU 140 Cb 0.10 0.07 -0.10 0.00 -0.53 0.00 0.00 40.66 40.20 2k36 h LEU 140 CO -0.03 -0.06 0.36 0.40 -0.13 0.00 0.00 178.44 178.99 2k36 h ILE 141 N -0.48 0.65 -0.07 4.05 1.08 -0.59 0.11 117.51 122.27 2k36 h ILE 141 Ca -0.03 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 2k36 h ILE 141 Cb 0.36 0.11 -0.00 0.00 -3.07 0.00 0.00 36.82 34.21 2k36 h ILE 141 CO 0.05 0.09 -0.01 -0.07 -0.69 0.00 0.00 178.15 177.52 2k36 h LEU 142 N 0.50 0.13 -0.34 1.44 4.07 -0.81 0.43 115.31 120.73 2k36 h LEU 142 Ca 0.46 -0.36 0.03 0.00 0.08 0.00 0.00 57.88 58.09 2k36 h LEU 142 Cb 0.71 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.38 2k36 h LEU 142 CO -0.41 0.46 0.14 0.15 -1.08 0.00 0.00 178.44 177.70 2k36 h PHE 143 N -0.20 0.26 -0.54 1.13 3.57 0.12 -2.46 116.94 118.82 2k36 h PHE 143 Ca 0.02 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2k36 h PHE 143 Cb 0.40 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2k36 h PHE 143 CO 0.05 0.13 0.05 -0.07 -2.23 0.00 0.00 178.31 176.23 2k36 h LEU 144 N 0.30 0.89 -2.03 0.59 3.38 -0.86 -3.01 115.31 114.58 2k36 h LEU 144 Ca 0.15 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 57.93 2k36 h LEU 144 Cb 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2k36 h LEU 144 CO -0.13 0.95 0.38 -0.33 0.09 0.00 0.00 178.44 179.40 2k36 h GLU 145 N 0.80 0.00 -0.97 1.13 5.08 0.35 1.25 114.58 122.22 2k36 h GLU 145 Ca 0.16 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.75 2k36 h GLU 145 Cb 0.46 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.59 2k36 h GLU 145 CO 0.02 0.00 0.54 0.87 -1.00 0.00 0.00 179.01 179.44 2k36 h LYS 146 N 0.00 0.55 0.00 2.33 1.79 -1.40 -3.21 116.57 116.63 2k36 h LYS 146 Ca 0.14 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.50 2k36 h LYS 146 Cb 0.91 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 2k36 h LYS 146 CO -0.00 0.36 -1.35 1.63 -1.08 0.00 0.00 179.45 179.02 2k36 n LYS 147 N -4.91 2.52 -2.17 3.15 4.01 0.20 -5.03 118.16 115.93 2k36 n LYS 147 Ca 0.25 -0.01 -0.27 0.00 -0.51 0.00 0.00 58.31 57.76 2k36 n LYS 147 Cb 0.69 -1.14 0.14 0.00 -0.51 0.00 0.00 35.03 34.21 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 -4.19 2.80 0.00 -0.35 2.01 0.37 -5.04 118.68 114.28 2k36 s LEU 148 Ca -0.03 0.13 0.00 0.00 0.01 0.00 0.00 54.13 54.25 2k36 s LEU 148 Cb 0.02 -2.39 0.00 0.00 0.01 0.00 0.00 46.19 43.83 2k36 s LEU 148 CO 0.22 -2.25 0.00 -3.20 1.01 0.00 0.00 176.35 172.13