#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k36 s ALA 2 N 0.00 3.55 -1.54 3.04 0.00 -1.26 -4.97 121.76 120.58 2k36 s ALA 2 Ca 0.00 -2.20 -0.12 0.00 0.00 0.00 0.00 51.96 49.64 2k36 s ALA 2 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 2k36 s ALA 2 CO 0.00 -1.90 2.60 2.41 0.00 0.00 0.00 175.76 178.87 2k36 n THR 3 N 5.30 3.89 -2.16 0.00 -1.04 -1.26 -3.95 114.28 115.06 2k36 n THR 3 Ca -0.12 -2.78 0.00 0.00 -2.04 0.00 0.00 64.05 59.11 2k36 n THR 3 Cb 0.43 -2.61 -0.01 0.00 -1.82 0.00 0.00 70.33 66.32 2k36 n THR 3 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2k36 n LYS 4 N 4.81 0.00 0.00 -2.82 2.85 -1.26 -5.11 118.16 116.64 2k36 n LYS 4 Ca 0.66 -1.13 0.00 0.00 -1.05 0.00 0.00 58.31 56.79 2k36 n LYS 4 Cb 0.31 -0.08 0.00 0.00 -0.65 0.00 0.00 35.03 34.61 2k36 n LYS 4 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k36 n LEU 5 N 0.16 0.00 -2.82 -5.58 4.32 -1.25 -4.95 117.00 106.87 2k36 n LEU 5 Ca -0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.93 2k36 n LEU 5 Cb 0.80 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.61 2k36 n LEU 5 CO -0.04 0.00 0.22 0.47 -1.22 0.00 0.00 177.39 176.82 2k36 n ASP 6 N 0.00 -7.22 -4.63 -1.43 9.92 -1.26 -4.95 116.55 106.98 2k36 n ASP 6 Ca 0.00 0.13 -0.40 0.00 -0.53 0.00 0.00 54.79 53.99 2k36 n ASP 6 Cb 0.00 -4.87 -0.08 0.00 -0.64 0.00 0.00 41.12 35.53 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 -2.80 3.29 0.00 1.24 2.02 -1.26 -4.89 117.35 114.95 2k36 s TYR 7 Ca 0.08 0.63 0.00 0.00 -0.37 0.00 0.00 57.07 57.41 2k36 s TYR 7 Cb -0.02 -2.68 0.00 0.00 -0.40 0.00 0.00 41.96 38.86 2k36 s TYR 7 CO 0.67 -0.22 0.00 0.39 -1.57 0.00 0.00 175.55 174.82 2k36 n GLU 8 N 5.31 0.00 -2.85 -0.62 1.02 -1.26 -4.69 120.64 117.55 2k36 n GLU 8 Ca -0.05 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.91 2k36 n GLU 8 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 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 -1.25 -4.22 -4.00 1.62 9.92 -1.26 -4.79 116.55 112.56 2k36 n ASP 9 Ca 0.00 -0.09 -0.40 0.00 -0.53 0.00 0.00 54.79 53.77 2k36 n ASP 9 Cb 0.00 -3.52 -0.03 0.00 -0.64 0.00 0.00 41.12 36.93 2k36 n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k36 n ALA 10 N -2.86 3.88 -0.14 2.24 0.00 -1.26 -4.63 120.51 117.74 2k36 n ALA 10 Ca -0.10 -3.57 -0.10 0.00 0.00 0.00 0.00 53.44 49.67 2k36 n ALA 10 Cb 0.59 -3.57 -0.01 0.00 0.00 0.00 0.00 19.45 16.45 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 4.80 1.25 -2.81 0.00 3.04 -2.02 -3.45 116.25 117.07 2k36 h VAL 11 Ca 0.45 -0.95 -0.59 0.00 -1.01 0.00 0.00 66.70 64.59 2k36 h VAL 11 Cb 0.74 1.09 0.12 0.00 -2.01 0.00 0.00 31.29 31.23 2k36 h VAL 11 CO 1.72 0.32 0.18 2.22 -1.01 0.00 0.00 177.57 181.00 2k36 n PHE 12 N -4.48 1.31 -0.10 3.17 1.16 -1.26 -4.94 117.46 112.33 2k36 n PHE 12 Ca -0.01 0.62 -0.16 0.00 -1.87 0.00 0.00 57.45 56.03 2k36 n PHE 12 Cb 0.27 -2.26 -0.09 0.00 -1.61 0.00 0.00 39.48 35.79 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 -0.07 0.00 0.68 2.97 9.36 -1.26 -4.43 117.16 124.40 2k36 n TYR 13 Ca 0.09 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.41 2k36 n TYR 13 Cb 0.36 -0.79 0.44 0.00 -0.63 0.00 0.00 39.34 38.71 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 -3.31 0.10 -0.23 2.98 3.72 -1.26 -2.94 117.46 116.52 2k36 n PHE 14 Ca -0.38 0.03 0.03 0.00 -0.05 0.00 0.00 57.45 57.08 2k36 n PHE 14 Cb 0.87 -0.56 0.12 0.00 -0.94 0.00 0.00 39.48 38.97 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 0.00 0.38 -0.13 -4.37 3.04 -1.97 -1.77 116.25 111.42 2k36 h VAL 15 Ca 0.00 -0.03 -0.01 0.00 -1.01 0.00 0.00 66.70 65.66 2k36 h VAL 15 Cb 0.37 0.29 -0.00 0.00 -2.01 0.00 0.00 31.29 29.94 2k36 h VAL 15 CO 0.00 0.01 -0.01 -0.67 -1.01 0.00 0.00 177.57 175.89 2k36 n ASP 16 N -5.36 3.06 -0.34 3.17 2.03 -1.18 0.49 116.55 118.43 2k36 n ASP 16 Ca 0.11 -3.10 0.14 0.00 0.52 0.00 0.00 54.79 52.46 2k36 n ASP 16 Cb 0.41 -0.49 0.33 0.00 -0.72 0.00 0.00 41.12 40.65 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 0.90 0.63 0.00 1.67 3.58 -1.20 -3.41 116.42 118.60 2k36 h ASP 17 Ca 0.01 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2k36 h ASP 17 Cb 1.23 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2k36 h ASP 17 CO 0.12 0.15 0.00 -0.67 -2.88 0.00 0.00 179.24 175.96 2k36 n ASP 18 N -4.88 0.00 -4.48 2.28 2.03 -1.26 -4.87 116.55 105.37 2k36 n ASP 18 Ca 0.24 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.31 2k36 n ASP 18 Cb 0.64 -0.14 -0.10 0.00 -0.72 0.00 0.00 41.12 40.80 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 1.76 0.10 -0.67 -2.85 -1.26 -4.37 119.74 112.45 2k36 s LYS 19 Ca 0.00 -2.00 -0.23 0.00 -1.00 0.00 0.00 55.97 52.75 2k36 s LYS 19 Cb 0.00 -1.06 -0.07 0.00 -2.06 0.00 0.00 37.83 34.64 2k36 s LYS 19 CO 0.00 -0.18 0.68 -1.50 0.10 0.00 0.00 175.35 174.45 2k36 s ILE 20 N -3.13 4.61 0.00 3.79 1.10 -1.26 -4.77 121.20 121.54 2k36 s ILE 20 Ca 0.34 1.47 0.00 0.00 -0.51 0.00 0.00 60.65 61.96 2k36 s ILE 20 Cb 0.08 -4.03 0.00 0.00 0.15 0.00 0.00 42.46 38.66 2k36 s ILE 20 CO 0.16 0.50 0.00 0.00 -2.11 0.00 0.00 174.94 173.49 2k36 s SER 22 N 0.04 3.29 0.29 0.00 0.15 -1.26 -4.90 113.70 111.29 2k36 s SER 22 Ca 0.00 1.78 -0.02 0.00 0.70 0.00 0.00 55.95 58.40 2k36 s SER 22 Cb 0.00 -2.39 0.42 0.00 -1.71 0.00 0.00 66.02 62.34 2k36 s SER 22 CO 0.00 -2.80 1.94 0.03 1.20 0.00 0.00 173.24 173.61 2k36 h ARG 23 N -1.66 1.13 0.00 5.44 3.08 -2.00 -1.75 114.38 118.62 2k36 h ARG 23 Ca -0.48 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.51 2k36 h ARG 23 Cb 1.27 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2k36 h ARG 23 CO 0.50 0.75 0.00 -3.47 -1.07 0.00 0.00 179.97 176.67 2k36 n ASP 24 N -4.43 0.00 -0.03 7.04 2.03 -1.26 -2.29 116.55 117.61 2k36 n ASP 24 Ca 0.11 -0.09 -0.06 0.00 0.52 0.00 0.00 54.79 55.28 2k36 n ASP 24 Cb 0.07 -0.23 -0.13 0.00 -0.72 0.00 0.00 41.12 40.10 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 -1.23 0.55 0.00 1.67 2.88 -0.66 -3.59 113.62 113.24 2k36 n SER 25 Ca 0.10 0.26 0.13 0.00 -1.33 0.00 0.00 58.87 58.03 2k36 n SER 25 Cb 0.13 0.44 0.61 0.00 -0.75 0.00 0.00 64.21 64.64 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 -2.87 0.14 0.10 2.46 2.08 -0.97 -1.22 119.36 119.08 2k36 n ILE 26 Ca -0.19 0.04 -0.10 0.00 0.56 0.00 0.00 62.75 63.05 2k36 n ILE 26 Cb 1.00 -0.58 -0.07 0.00 -0.75 0.00 0.00 39.64 39.25 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 0.59 -0.03 1.39 1.08 -1.61 -3.02 117.51 115.91 2k36 h ILE 27 Ca 0.00 -0.94 -0.14 0.00 -0.39 0.00 0.00 64.86 63.39 2k36 h ILE 27 Cb 0.40 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 2k36 h ILE 27 CO 0.00 0.15 -0.64 0.44 -0.69 0.00 0.00 178.15 177.41 2k36 h ASP 28 N -0.93 0.16 -0.44 1.72 5.19 -1.65 -3.28 116.42 117.18 2k36 h ASP 28 Ca -0.03 -0.10 0.09 0.00 -0.62 0.00 0.00 57.03 56.37 2k36 h ASP 28 Cb 0.49 -0.05 -0.08 0.00 0.18 0.00 0.00 39.33 39.87 2k36 h ASP 28 CO 0.05 0.75 -0.12 0.25 -3.12 0.00 0.00 179.24 177.06 2k36 h LEU 29 N 0.10 -0.44 -1.50 1.55 5.85 -1.21 -0.23 115.31 119.43 2k36 h LEU 29 Ca -0.01 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2k36 h LEU 29 Cb 1.15 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.42 2k36 h LEU 29 CO 0.09 -0.15 0.41 0.40 -0.34 0.00 0.00 178.44 178.85 2k36 h ILE 30 N -0.01 1.01 -0.09 4.05 1.08 -1.58 0.59 117.51 122.55 2k36 h ILE 30 Ca 0.21 -0.21 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 2k36 h ILE 30 Cb 0.33 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 34.42 2k36 h ILE 30 CO -0.46 0.11 -0.12 -0.78 -0.69 0.00 0.00 178.15 176.21 2k36 h ASP 31 N 0.62 0.26 0.06 1.72 3.58 -1.28 -2.33 116.42 119.05 2k36 h ASP 31 Ca 0.26 -0.52 0.01 0.00 0.42 0.00 0.00 57.03 57.20 2k36 h ASP 31 Cb 0.25 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2k36 h ASP 31 CO -0.08 0.73 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.59 2k36 h GLU 32 N -0.20 -0.17 0.66 0.28 4.39 0.12 -1.30 114.58 118.36 2k36 h GLU 32 Ca 0.01 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 2k36 h GLU 32 Cb 0.67 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2k36 h GLU 32 CO 0.03 -0.12 -0.32 -0.92 -1.16 0.00 0.00 179.01 176.53 2k36 h TYR 33 N -0.18 -0.82 -0.60 4.33 3.20 0.07 0.84 116.97 123.81 2k36 h TYR 33 Ca 0.01 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.96 2k36 h TYR 33 Cb 0.19 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 2k36 h TYR 33 CO -0.12 -0.50 0.40 0.82 -1.64 0.00 0.00 178.16 177.12 2k36 h ILE 34 N -0.92 0.90 -0.01 1.81 1.08 -1.45 0.29 117.51 119.21 2k36 h ILE 34 Ca -0.09 -0.14 -0.22 0.00 -0.39 0.00 0.00 64.86 64.01 2k36 h ILE 34 Cb 0.69 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 2k36 h ILE 34 CO 0.15 0.08 -0.93 0.74 -0.69 0.00 0.00 178.15 177.50 2k36 h THR 35 N 0.41 1.39 -0.54 -0.27 2.02 -0.83 -3.23 112.91 111.87 2k36 h THR 35 Ca 0.28 -2.41 -0.12 0.00 0.77 0.00 0.00 66.41 64.93 2k36 h THR 35 Cb 0.54 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 2k36 h THR 35 CO -0.08 0.72 -0.12 -0.25 0.37 0.00 0.00 175.52 176.17 2k36 h TRP 36 N 0.24 1.15 -0.01 3.16 7.01 0.29 -0.23 115.95 127.56 2k36 h TRP 36 Ca -0.08 -0.24 0.00 0.00 2.11 0.00 0.00 58.89 60.68 2k36 h TRP 36 Cb 1.56 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 28.34 2k36 h TRP 36 CO 0.06 1.07 0.05 0.00 -2.79 0.00 0.00 178.44 176.83 2k36 h ARG 37 N 0.91 0.00 0.08 2.65 2.47 -0.60 -1.42 114.38 118.46 2k36 h ARG 37 Ca 0.14 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.65 2k36 h ARG 37 Cb 0.69 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.00 2k36 h ARG 37 CO 0.05 0.00 -1.09 -0.97 0.56 0.00 0.00 179.97 178.52 2k36 h ASN 38 N 0.00 0.25 -1.00 7.04 -0.73 -1.20 -3.36 115.58 116.58 2k36 h ASN 38 Ca 0.00 -0.82 0.16 0.00 1.87 0.00 0.00 56.30 57.52 2k36 h ASN 38 Cb 0.11 -0.08 -0.10 0.00 0.27 0.00 0.00 38.32 38.52 2k36 h ASN 38 CO -0.00 1.47 0.62 0.45 -0.37 0.00 0.00 177.43 179.60 2k36 h HIS 39 N -0.57 1.09 -0.04 0.67 3.86 -0.06 0.18 115.15 120.28 2k36 h HIS 39 Ca -0.25 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.01 2k36 h HIS 39 Cb 1.53 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 29.67 2k36 h HIS 39 CO 0.15 0.32 0.05 0.28 0.86 0.00 0.00 177.93 179.59 2k36 h VAL 40 N 0.85 0.39 0.00 2.45 2.07 -1.51 -1.91 116.25 118.58 2k36 h VAL 40 Ca 0.54 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.06 2k36 h VAL 40 Cb 0.75 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2k36 h VAL 40 CO -0.33 0.00 -0.31 -0.38 0.02 0.00 0.00 177.57 176.57 2k36 n ILE 41 N -3.64 0.68 -0.15 4.57 2.08 0.56 -1.35 119.36 122.11 2k36 n ILE 41 Ca -0.02 0.36 -0.03 0.00 0.56 0.00 0.00 62.75 63.62 2k36 n ILE 41 Cb 0.14 -1.91 0.06 0.00 -0.75 0.00 0.00 39.64 37.17 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 -0.47 0.67 0.00 1.39 -1.51 -1.39 -0.86 116.25 114.08 2k36 h VAL 42 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 2k36 h VAL 42 Cb 0.31 0.50 0.00 0.00 -2.13 0.00 0.00 31.29 29.97 2k36 h VAL 42 CO 0.00 0.03 -0.48 0.49 -1.23 0.00 0.00 177.57 176.38 2k36 n PHE 43 N -5.18 0.01 -3.72 5.19 3.01 -0.72 -4.88 117.46 111.16 2k36 n PHE 43 Ca 0.05 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.29 2k36 n PHE 43 Cb 0.25 -0.26 0.03 0.00 -0.01 0.00 0.00 39.48 39.48 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 -1.51 -1.41 0.00 4.37 4.05 -0.33 -4.72 115.26 115.71 2k36 n ASN 44 Ca 0.06 -0.86 0.00 0.00 0.45 0.00 0.00 54.58 54.23 2k36 n ASN 44 Cb 0.34 -3.90 0.00 0.00 1.23 0.00 0.00 39.78 37.45 2k36 n ASN 44 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2k36 n LYS 45 N -4.26 2.63 -4.08 1.20 5.02 -0.46 -4.94 118.16 113.27 2k36 n LYS 45 Ca -0.28 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.87 2k36 n LYS 45 Cb 0.67 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.57 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 -1.23 0.93 0.13 4.39 -1.08 -1.26 -4.92 116.67 113.63 2k36 s ASP 46 Ca 0.00 -0.54 0.07 0.00 -0.52 0.00 0.00 52.55 51.56 2k36 s ASP 46 Cb 0.00 0.02 -0.18 0.00 -1.46 0.00 0.00 42.92 41.30 2k36 s ASP 46 CO 0.00 -0.18 1.30 -0.29 0.52 0.00 0.00 175.17 176.52 2k36 h ILE 47 N 4.49 1.68 0.00 4.11 6.09 -1.98 -3.23 117.51 128.67 2k36 h ILE 47 Ca -0.36 -3.34 0.00 0.00 -1.37 0.00 0.00 64.86 59.79 2k36 h ILE 47 Cb 1.20 2.81 0.00 0.00 0.47 0.00 0.00 36.82 41.30 2k36 h ILE 47 CO 0.41 0.95 0.00 0.71 -3.07 0.00 0.00 178.15 177.15 2k36 h THR 48 N 0.00 0.00 -0.71 2.19 1.35 -2.02 -3.39 112.91 110.33 2k36 h THR 48 Ca -0.01 -0.53 -0.49 0.00 -0.55 0.00 0.00 66.41 64.83 2k36 h THR 48 Cb 1.73 1.53 -0.06 0.00 -1.73 0.00 0.00 68.15 69.62 2k36 h THR 48 CO 0.13 0.00 1.51 -0.55 -0.25 0.00 0.00 175.52 176.36 2k36 s SER 49 N -4.71 5.88 0.00 5.36 0.15 -1.22 -4.74 113.70 114.42 2k36 s SER 49 Ca 0.10 -1.84 0.00 0.00 0.70 0.00 0.00 55.95 54.91 2k36 s SER 49 Cb 0.12 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2k36 s SER 49 CO 0.60 -2.16 0.00 0.00 1.20 0.00 0.00 173.24 172.89 2k36 n GLY 51 N -0.03 4.57 0.12 0.00 0.00 0.18 -4.76 105.19 105.27 2k36 n GLY 51 Ca 0.00 -2.14 -0.11 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 0.31 -0.53 1.61 2.47 -1.83 -2.91 114.38 113.50 2k36 h ARG 52 Ca 0.00 -0.06 0.10 0.00 -1.26 0.00 0.00 59.98 58.76 2k36 h ARG 52 Cb 0.00 -0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 28.19 2k36 h ARG 52 CO 0.00 0.37 0.07 1.25 0.56 0.00 0.00 179.97 182.22 2k36 h LEU 53 N 0.18 -0.07 -1.06 3.04 6.46 -1.86 -2.38 115.31 119.61 2k36 h LEU 53 Ca 0.07 0.11 -0.09 0.00 -0.12 0.00 0.00 57.88 57.85 2k36 h LEU 53 Cb 0.17 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 2k36 h LEU 53 CO -0.01 -0.01 -0.31 1.88 -0.62 0.00 0.00 178.44 179.37 2k36 h TYR 54 N 0.20 0.31 -0.50 1.25 -1.99 -1.72 -2.94 116.97 111.58 2k36 h TYR 54 Ca 0.27 -0.07 -0.00 0.00 2.00 0.00 0.00 58.73 60.93 2k36 h TYR 54 Cb 0.39 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 2k36 h TYR 54 CO -0.26 0.56 0.31 0.87 -0.00 0.00 0.00 178.16 179.63 2k36 h LYS 55 N 0.24 0.67 -0.16 4.88 1.79 -1.33 -1.95 116.57 120.72 2k36 h LYS 55 Ca 0.03 -0.05 -0.19 0.00 -2.18 0.00 0.00 60.65 58.26 2k36 h LYS 55 Cb 0.68 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2k36 h LYS 55 CO 0.05 0.47 -0.66 1.49 -1.08 0.00 0.00 179.45 179.71 2k36 h GLU 56 N 0.69 0.61 -0.91 3.15 4.57 -1.56 -2.50 114.58 118.63 2k36 h GLU 56 Ca 0.18 -0.44 0.10 0.00 -1.18 0.00 0.00 59.36 58.02 2k36 h GLU 56 Cb -0.03 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.56 2k36 h GLU 56 CO -0.04 1.06 0.58 -0.07 -1.18 0.00 0.00 179.01 179.37 2k36 h LEU 57 N 0.44 0.81 -1.54 1.64 -0.00 -1.41 -0.51 115.31 114.73 2k36 h LEU 57 Ca -0.02 0.03 0.02 0.00 -0.00 0.00 0.00 57.88 57.91 2k36 h LEU 57 Cb 1.25 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.74 2k36 h LEU 57 CO 0.13 0.47 0.33 0.24 -0.00 0.00 0.00 178.44 179.60 2k36 h MET 58 N 0.89 0.59 0.00 1.13 2.86 -0.98 0.01 114.93 119.43 2k36 h MET 58 Ca 0.43 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 2k36 h MET 58 Cb 0.44 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2k36 h MET 58 CO -0.19 0.39 0.00 1.63 1.06 0.00 0.00 176.91 179.80 2k36 n LYS 59 N -4.47 0.06 0.08 1.72 5.02 -0.21 -1.56 118.16 118.81 2k36 n LYS 59 Ca 0.05 0.22 0.12 0.00 -2.02 0.00 0.00 58.31 56.68 2k36 n LYS 59 Cb 0.10 -1.59 0.46 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.70 0.67 -0.13 2.13 3.72 -0.01 -1.18 117.46 120.96 2k36 n PHE 60 Ca 0.04 0.21 -0.12 0.00 -0.05 0.00 0.00 57.45 57.54 2k36 n PHE 60 Cb 0.25 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 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 0.98 -0.02 4.37 1.82 -1.35 -2.84 116.42 119.38 2k36 h ASP 61 Ca 0.00 -0.41 -0.16 0.00 -0.39 0.00 0.00 57.03 56.06 2k36 h ASP 61 Cb 0.57 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 40.32 2k36 h ASP 61 CO 0.00 1.20 -0.63 -0.78 -1.61 0.00 0.00 179.24 177.43 2k36 h ASP 62 N 0.78 0.58 -0.44 2.28 3.58 -1.40 0.64 116.42 122.45 2k36 h ASP 62 Ca 0.08 -0.74 0.00 0.00 0.42 0.00 0.00 57.03 56.80 2k36 h ASP 62 Cb 0.89 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 2k36 h ASP 62 CO 0.08 1.24 0.29 1.62 -2.88 0.00 0.00 179.24 179.60 2k36 h VAL 63 N -0.02 1.12 -0.15 2.25 3.04 -1.23 0.43 116.25 121.69 2k36 h VAL 63 Ca -0.07 -0.22 -0.21 0.00 -1.01 0.00 0.00 66.70 65.19 2k36 h VAL 63 Cb 1.32 0.46 0.01 0.00 -2.01 0.00 0.00 31.29 31.07 2k36 h VAL 63 CO 0.12 0.11 -0.73 0.00 -1.01 0.00 0.00 177.57 176.06 2k36 h ALA 64 N 1.72 0.29 -0.67 3.17 0.00 -1.26 0.73 119.26 123.23 2k36 h ALA 64 Ca 0.16 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.55 2k36 h ALA 64 Cb -0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2k36 h ALA 64 CO -0.03 0.63 0.44 0.82 0.00 0.00 0.00 179.25 181.11 2k36 h ILE 65 N 0.48 1.01 -0.03 0.00 2.04 0.59 0.66 117.51 122.26 2k36 h ILE 65 Ca -0.05 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2k36 h ILE 65 Cb 1.37 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2k36 h ILE 65 CO 0.15 0.13 -0.01 -0.09 0.00 0.00 0.00 178.15 178.32 2k36 h ARG 66 N 0.69 0.07 0.00 2.37 2.43 -0.08 -2.50 114.38 117.35 2k36 h ARG 66 Ca 0.29 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2k36 h ARG 66 Cb 0.26 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2k36 h ARG 66 CO -0.09 0.45 0.00 0.98 -1.51 0.00 0.00 179.97 179.80 2k36 n TYR 67 N -4.84 0.00 -0.01 2.20 4.19 0.24 -4.20 117.16 114.73 2k36 n TYR 67 Ca -0.08 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.02 2k36 n TYR 67 Cb 0.23 -0.49 0.02 0.00 0.49 0.00 0.00 39.34 39.59 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 0.81 0.00 2.98 0.05 0.07 -3.50 116.97 117.38 2k36 h TYR 68 Ca 0.00 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 58.48 2k36 h TYR 68 Cb 0.00 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.59 2k36 h TYR 68 CO 0.06 1.07 0.00 0.41 -1.05 0.00 0.00 178.16 178.65 2k36 n GLY 69 N 0.36 2.15 0.29 3.88 0.00 -0.67 -4.21 105.19 106.99 2k36 n GLY 69 Ca -0.04 -1.61 0.04 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 0.83 0.10 -0.61 6.09 -1.83 0.28 117.51 122.38 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 0.10 -0.02 0.00 0.47 0.00 0.00 36.82 37.37 2k36 h ILE 70 CO 0.00 0.12 -0.18 -0.78 -3.07 0.00 0.00 178.15 174.25 2k36 h ASP 71 N 0.68 -0.49 0.23 2.19 1.82 -1.92 0.22 116.42 119.15 2k36 h ASP 71 Ca 0.40 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 2k36 h ASP 71 Cb 0.45 0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.64 2k36 h ASP 71 CO -0.29 -0.25 0.00 0.29 -1.61 0.00 0.00 179.24 177.38 2k36 n LYS 72 N -5.30 0.70 -0.08 0.28 4.76 -0.43 -0.84 118.16 117.24 2k36 n LYS 72 Ca -0.07 0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.16 2k36 n LYS 72 Cb 0.22 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.79 2k36 n LYS 72 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2k36 n ILE 73 N -1.12 1.58 -0.13 -0.18 5.41 0.86 -3.42 119.36 122.36 2k36 n ILE 73 Ca 0.18 -0.16 -0.04 0.00 1.00 0.00 0.00 62.75 63.73 2k36 n ILE 73 Cb 0.16 -1.97 0.04 0.00 -0.71 0.00 0.00 39.64 37.15 2k36 n ILE 73 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2k36 h ASN 74 N -0.79 0.02 -0.63 4.38 2.35 -0.17 0.65 115.58 121.39 2k36 h ASN 74 Ca -0.38 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.40 2k36 h ASN 74 Cb 1.46 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.90 2k36 h ASN 74 CO -0.16 0.05 0.25 -0.33 -1.65 0.00 0.00 177.43 175.58 2k36 h GLU 75 N 0.23 0.94 0.13 0.81 4.39 -1.19 -3.00 114.58 116.88 2k36 h GLU 75 Ca 0.21 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2k36 h GLU 75 Cb 0.26 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2k36 h GLU 75 CO -0.27 0.80 -0.06 0.82 -1.16 0.00 0.00 179.01 179.13 2k36 h ILE 76 N 0.88 0.98 -0.18 3.13 5.03 -1.39 -2.61 117.51 123.34 2k36 h ILE 76 Ca 0.21 -1.19 0.05 0.00 -0.12 0.00 0.00 64.86 63.81 2k36 h ILE 76 Cb 0.21 1.64 -0.06 0.00 -3.03 0.00 0.00 36.82 35.58 2k36 h ILE 76 CO -0.02 0.25 -0.19 1.62 -0.68 0.00 0.00 178.15 179.14 2k36 h VAL 77 N -0.81 0.50 -0.97 1.67 3.04 0.23 0.36 116.25 120.27 2k36 h VAL 77 Ca -0.02 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.69 2k36 h VAL 77 Cb 0.55 0.50 -0.05 0.00 -2.01 0.00 0.00 31.29 30.28 2k36 h VAL 77 CO 0.03 0.00 0.64 -0.33 -1.01 0.00 0.00 177.57 176.90 2k36 h GLU 78 N -0.22 1.27 -0.47 4.17 5.08 -1.65 -2.37 114.58 120.39 2k36 h GLU 78 Ca 0.11 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2k36 h GLU 78 Cb 0.39 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2k36 h GLU 78 CO -0.31 0.84 0.24 0.00 -1.00 0.00 0.00 179.01 178.78 2k36 h ALA 79 N 1.40 0.61 -0.98 3.43 0.00 -0.85 -2.49 119.26 120.38 2k36 h ALA 79 Ca 0.36 -0.11 0.34 0.00 0.00 0.00 0.00 54.91 55.50 2k36 h ALA 79 Cb -0.13 -0.19 -0.16 0.00 0.00 0.00 0.00 17.79 17.31 2k36 h ALA 79 CO -0.08 0.16 0.46 0.52 0.00 0.00 0.00 179.25 180.31 2k36 h MET 80 N 0.62 0.16 0.00 0.00 2.86 -0.42 0.01 114.93 118.16 2k36 h MET 80 Ca 0.16 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2k36 h MET 80 Cb 0.10 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2k36 h MET 80 CO -0.02 0.10 0.00 -1.13 1.06 0.00 0.00 176.91 176.92 2k36 n SER 81 N -5.19 0.12 -0.28 1.22 3.41 -0.94 -0.95 113.62 111.00 2k36 n SER 81 Ca 0.32 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.58 2k36 n SER 81 Cb 1.03 -0.55 0.30 0.00 -0.26 0.00 0.00 64.21 64.72 2k36 n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k36 n GLU 82 N -1.63 0.88 -1.65 4.33 1.02 -0.01 -3.24 120.64 120.33 2k36 n GLU 82 Ca 0.03 -0.57 -0.11 0.00 -0.02 0.00 0.00 57.16 56.49 2k36 n GLU 82 Cb 0.17 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 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 1.36 0.72 0.51 0.62 0.00 -0.12 -4.86 105.19 103.42 2k36 n GLY 83 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2k36 n GLY 83 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k36 n ASP 84 N 0.16 0.00 0.00 1.61 2.03 -1.26 -5.11 116.55 113.98 2k36 n ASP 84 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2k36 n ASP 84 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 2k36 n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k36 n HIS 85 N -1.56 -0.17 -3.61 -0.67 1.44 -1.24 -4.96 115.22 104.44 2k36 n HIS 85 Ca 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 2k36 n HIS 85 Cb 0.00 0.04 -0.03 0.00 0.12 0.00 0.00 29.99 30.12 2k36 n HIS 85 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2k36 s TYR 86 N 0.00 -0.13 -0.13 -1.40 -0.85 -1.26 -5.03 117.35 108.56 2k36 s TYR 86 Ca 0.00 0.15 -0.07 0.00 -0.52 0.00 0.00 57.07 56.62 2k36 s TYR 86 Cb 0.00 0.50 0.05 0.00 0.38 0.00 0.00 41.96 42.89 2k36 s TYR 86 CO 0.00 -0.16 0.31 0.42 -1.52 0.00 0.00 175.55 174.60 2k36 s ILE 87 N -1.76 -0.03 -0.27 -3.49 -1.09 -1.26 -4.96 121.20 108.34 2k36 s ILE 87 Ca 0.08 0.11 -0.27 0.00 -2.23 0.00 0.00 60.65 58.34 2k36 s ILE 87 Cb -0.01 -0.46 0.01 0.00 -1.58 0.00 0.00 42.46 40.41 2k36 s ILE 87 CO -0.05 0.04 0.95 0.20 -1.23 0.00 0.00 174.94 174.86 2k36 s ASN 88 N 1.14 6.92 0.89 3.58 -0.87 -1.26 -5.04 114.94 120.30 2k36 s ASN 88 Ca -0.08 1.10 -0.11 0.00 -1.57 0.00 0.00 52.86 52.19 2k36 s ASN 88 Cb -0.08 -2.49 0.13 0.00 -0.02 0.00 0.00 41.25 38.78 2k36 s ASN 88 CO -0.09 -0.67 1.09 -0.36 -2.57 0.00 0.00 177.10 174.51 2k36 s PHE 89 N 3.17 2.21 -0.15 2.20 0.08 -1.26 -4.91 117.98 119.32 2k36 s PHE 89 Ca 0.40 1.40 -0.29 0.00 0.12 0.00 0.00 56.93 58.56 2k36 s PHE 89 Cb -0.14 -3.15 -0.05 0.00 -0.57 0.00 0.00 43.02 39.11 2k36 s PHE 89 CO 0.10 -2.42 1.81 0.95 -0.10 0.00 0.00 175.22 175.55 2k36 s THR 90 N -2.85 3.41 0.01 0.64 -4.23 -1.26 -4.92 115.64 106.44 2k36 s THR 90 Ca 0.64 0.47 -0.04 0.00 -1.18 0.00 0.00 61.69 61.57 2k36 s THR 90 Cb -0.19 -3.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.23 2k36 s THR 90 CO 0.57 -0.15 1.06 0.50 -0.54 0.00 0.00 174.62 176.06 2k36 h LYS 91 N 11.40 -0.13 -5.58 3.99 3.64 -2.01 -3.42 116.57 124.46 2k36 h LYS 91 Ca -0.39 0.01 -0.65 0.00 -1.27 0.00 0.00 60.65 58.35 2k36 h LYS 91 Cb 1.19 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.92 2k36 h LYS 91 CO 0.98 -0.09 -0.55 0.14 -2.27 0.00 0.00 179.45 177.66 2k36 s VAL 92 N -3.32 4.95 -1.34 2.00 -7.23 -1.26 -5.02 120.40 109.17 2k36 s VAL 92 Ca -0.02 0.01 -0.11 0.00 -1.81 0.00 0.00 61.98 60.05 2k36 s VAL 92 Cb 0.00 -3.17 0.12 0.00 0.56 0.00 0.00 36.38 33.89 2k36 s VAL 92 CO 0.07 0.55 1.99 1.41 -0.31 0.00 0.00 175.10 178.80 2k36 n HIS 93 N 2.65 3.20 -4.21 2.82 8.25 -1.26 -4.72 115.22 121.95 2k36 n HIS 93 Ca -0.18 -2.86 -0.23 0.00 -0.26 0.00 0.00 57.72 54.19 2k36 n HIS 93 Cb 0.53 -2.17 -0.06 0.00 1.12 0.00 0.00 29.99 29.41 2k36 n HIS 93 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2k36 s ASP 94 N 1.74 4.89 0.28 0.41 1.01 -1.26 -4.98 116.67 118.76 2k36 s ASP 94 Ca 0.42 -0.53 0.03 0.00 0.71 0.00 0.00 52.55 53.18 2k36 s ASP 94 Cb 0.11 -1.02 0.68 0.00 1.01 0.00 0.00 42.92 43.71 2k36 s ASP 94 CO -0.03 -0.05 1.71 -0.61 0.21 0.00 0.00 175.17 176.41 2k36 h GLN 95 N 1.71 0.44 -0.93 8.23 4.15 -1.98 0.14 115.11 126.88 2k36 h GLN 95 Ca -0.46 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.93 2k36 h GLN 95 Cb 1.25 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.79 2k36 h GLN 95 CO 0.61 0.29 0.54 1.49 -1.93 0.00 0.00 178.83 179.83 2k36 h GLU 96 N 0.46 1.27 -0.30 1.69 4.81 -1.95 0.12 114.58 120.67 2k36 h GLU 96 Ca 0.54 -0.13 -0.15 0.00 -0.13 0.00 0.00 59.36 59.49 2k36 h GLU 96 Cb 0.97 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2k36 h GLU 96 CO -0.49 0.90 -0.41 0.77 -0.73 0.00 0.00 179.01 179.05 2k36 h SER 97 N 1.29 0.80 0.33 1.04 0.02 -1.28 -1.32 113.55 114.43 2k36 h SER 97 Ca 0.33 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2k36 h SER 97 Cb -0.03 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 2k36 h SER 97 CO -0.06 1.11 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.46 2k36 h LEU 98 N 0.61 -0.54 -0.85 5.07 3.38 0.41 -1.50 115.31 121.88 2k36 h LEU 98 Ca 0.05 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2k36 h LEU 98 Cb 0.97 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 2k36 h LEU 98 CO 0.09 -0.34 0.36 -0.26 0.09 0.00 0.00 178.44 178.38 2k36 h PHE 99 N -0.53 1.21 -0.53 1.13 -1.00 -0.84 -2.41 116.94 113.97 2k36 h PHE 99 Ca -0.03 -0.07 0.07 0.00 2.81 0.00 0.00 57.97 60.75 2k36 h PHE 99 Cb 0.44 -0.37 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 2k36 h PHE 99 CO -0.10 0.89 0.36 0.00 -1.61 0.00 0.00 178.31 177.85 2k36 h ALA 100 N 1.22 1.96 -0.16 2.45 0.00 -0.90 -1.25 119.26 122.57 2k36 h ALA 100 Ca 0.28 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2k36 h ALA 100 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k36 h ALA 100 CO -0.03 -0.06 -0.32 1.15 0.00 0.00 0.00 179.25 179.99 2k36 h THR 101 N 0.42 1.28 0.21 0.00 2.02 -0.75 -2.00 112.91 114.09 2k36 h THR 101 Ca 0.24 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 2k36 h THR 101 Cb 0.39 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2k36 h THR 101 CO -0.06 0.41 -0.10 0.40 0.37 0.00 0.00 175.52 176.53 2k36 h ILE 102 N 0.28 0.75 -0.72 3.11 5.03 -1.26 -3.17 117.51 121.55 2k36 h ILE 102 Ca 0.04 -0.97 -0.06 0.00 -0.12 0.00 0.00 64.86 63.75 2k36 h ILE 102 Cb 0.71 1.22 -0.03 0.00 -3.03 0.00 0.00 36.82 35.69 2k36 h ILE 102 CO 0.05 0.18 0.22 1.23 -0.68 0.00 0.00 178.15 179.15 2k36 h GLY 103 N -0.85 1.20 0.80 5.37 0.00 -1.39 0.56 103.07 108.76 2k36 h GLY 103 Ca -0.03 -0.71 0.05 0.00 0.00 0.00 0.00 47.33 46.64 2k36 h GLY 103 CO 0.05 0.67 0.58 1.19 0.00 0.00 0.00 176.54 179.02 2k36 h ILE 104 N 1.06 1.10 0.00 2.60 6.09 -1.50 -0.07 117.51 126.80 2k36 h ILE 104 Ca 0.23 -0.37 -0.08 0.00 -1.37 0.00 0.00 64.86 63.27 2k36 h ILE 104 Cb 0.31 -0.08 -0.01 0.00 0.47 0.00 0.00 36.82 37.51 2k36 h ILE 104 CO -0.01 0.20 -0.38 0.00 -3.07 0.00 0.00 178.15 174.89 2k36 h ALA 106 N 1.62 0.82 -0.02 0.00 0.00 0.88 -2.18 119.26 120.37 2k36 h ALA 106 Ca -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2k36 h ALA 106 Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2k36 h ALA 106 CO 0.05 0.67 -0.14 0.87 0.00 0.00 0.00 179.25 180.70 2k36 h LYS 107 N 0.38 0.03 -0.00 0.00 1.79 -1.14 -2.56 116.57 115.07 2k36 h LYS 107 Ca 0.02 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 2k36 h LYS 107 Cb 0.99 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 2k36 h LYS 107 CO 0.09 0.17 -0.22 0.82 -1.08 0.00 0.00 179.45 179.23 2k36 h ILE 108 N 0.03 1.55 -0.54 1.86 2.04 -1.46 -2.94 117.51 118.05 2k36 h ILE 108 Ca 0.01 -1.93 -0.04 0.00 1.00 0.00 0.00 64.86 63.90 2k36 h ILE 108 Cb 0.27 2.77 -0.03 0.00 -0.74 0.00 0.00 36.82 39.09 2k36 h ILE 108 CO 0.02 0.52 0.17 0.00 0.00 0.00 0.00 178.15 178.87 2k36 h THR 109 N -0.53 1.21 -0.19 -0.27 1.03 -1.29 -3.07 112.91 109.80 2k36 h THR 109 Ca -0.03 -0.71 -0.15 0.00 -0.01 0.00 0.00 66.41 65.51 2k36 h THR 109 Cb 0.98 0.61 0.00 0.00 -1.07 0.00 0.00 68.15 68.67 2k36 h THR 109 CO 0.04 0.27 -0.46 1.05 -0.01 0.00 0.00 175.52 176.42 2k36 h GLU 110 N 0.78 0.64 -0.60 0.00 4.11 -1.54 -3.28 114.58 114.70 2k36 h GLU 110 Ca 0.18 -0.44 0.11 0.00 0.07 0.00 0.00 59.36 59.28 2k36 h GLU 110 Cb 0.22 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2k36 h GLU 110 CO -0.01 1.06 0.40 1.25 0.07 0.00 0.00 179.01 181.78 2k36 h HIS 111 N 0.32 0.36 0.00 2.06 2.76 -1.41 -1.32 115.15 117.93 2k36 h HIS 111 Ca -0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2k36 h HIS 111 Cb 1.07 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.91 2k36 h HIS 111 CO 0.09 0.16 0.00 -1.49 -1.30 0.00 0.00 177.93 175.40 2k36 h TRP 112 N 0.33 0.00 -0.23 5.26 6.55 -1.62 -3.34 115.95 122.90 2k36 h TRP 112 Ca 0.28 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 60.07 2k36 h TRP 112 Cb 0.65 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.95 2k36 h TRP 112 CO -0.00 0.00 -0.03 0.78 -1.05 0.00 0.00 178.44 178.14 2k36 h GLY 113 N 2.26 0.47 0.30 1.49 0.00 -1.40 -0.04 103.07 106.14 2k36 h GLY 113 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 46.97 2k36 h GLY 113 CO 0.00 0.34 -0.47 -0.97 0.00 0.00 0.00 176.54 175.44 2k36 h TYR 114 N 0.18 -1.33 -0.27 5.60 0.05 -1.76 -3.08 116.97 116.35 2k36 h TYR 114 Ca 0.06 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.87 2k36 h TYR 114 Cb 0.47 0.55 0.00 0.00 1.01 0.00 0.00 36.73 38.76 2k36 h TYR 114 CO 0.04 -0.58 0.00 0.36 -1.05 0.00 0.00 178.16 176.93 2k36 n LYS 115 N -5.50 2.85 -2.74 4.88 2.85 -1.25 -4.90 118.16 114.34 2k36 n LYS 115 Ca -0.09 -2.17 -0.07 0.00 -1.05 0.00 0.00 58.31 54.93 2k36 n LYS 115 Cb 0.41 -1.37 0.01 0.00 -0.65 0.00 0.00 35.03 33.43 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 0.11 -2.24 -4.04 -1.58 5.02 -0.30 -5.03 118.16 110.10 2k36 n LYS 116 Ca 0.12 2.02 -0.24 0.00 -2.02 0.00 0.00 58.31 58.19 2k36 n LYS 116 Cb 0.51 -5.35 -0.04 0.00 -0.02 0.00 0.00 35.03 30.14 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 -2.45 4.82 -0.44 -0.18 1.01 -0.18 -4.79 121.20 118.98 2k36 s ILE 117 Ca 0.22 -1.05 -0.13 0.00 0.00 0.00 0.00 60.65 59.69 2k36 s ILE 117 Cb -0.06 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.89 2k36 s ILE 117 CO 0.71 -0.21 0.58 -0.24 0.00 0.00 0.00 174.94 175.78 2k36 n SER 118 N -0.80 -7.60 -3.39 3.58 2.88 -1.20 -4.81 113.62 102.28 2k36 n SER 118 Ca -0.08 0.43 -0.39 0.00 -1.33 0.00 0.00 58.87 57.50 2k36 n SER 118 Cb 0.56 -5.14 -0.02 0.00 -0.75 0.00 0.00 64.21 58.85 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 -0.50 3.91 -2.70 -1.46 1.02 -1.26 -4.69 120.64 114.97 2k36 n GLU 119 Ca 0.10 -2.59 -0.36 0.00 -0.02 0.00 0.00 57.16 54.29 2k36 n GLU 119 Cb 0.44 -2.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 2k36 n GLU 119 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2k36 n SER 120 N 3.20 6.31 -3.50 1.62 3.41 -1.26 -4.92 113.62 118.48 2k36 n SER 120 Ca 0.72 -3.70 -0.40 0.00 -0.26 0.00 0.00 58.87 55.23 2k36 n SER 120 Cb 0.24 -0.93 -0.01 0.00 -0.26 0.00 0.00 64.21 63.25 2k36 n SER 120 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2k36 n ARG 121 N -0.17 3.66 0.00 4.33 1.74 -1.26 -4.52 116.66 120.44 2k36 n ARG 121 Ca 0.42 -2.68 0.00 0.00 -0.77 0.00 0.00 57.85 54.82 2k36 n ARG 121 Cb 0.32 -2.90 0.00 0.00 -1.02 0.00 0.00 32.46 28.85 2k36 n ARG 121 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2k36 n PHE 122 N 3.87 0.00 -0.04 -1.55 3.72 -1.26 -4.99 117.46 117.22 2k36 n PHE 122 Ca 0.65 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 58.01 2k36 n PHE 122 Cb 0.29 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.81 2k36 n PHE 122 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2k36 n GLN 123 N -1.75 0.26 -2.95 -1.08 7.27 -1.26 -4.91 117.38 112.97 2k36 n GLN 123 Ca 0.00 0.21 -0.42 0.00 0.07 0.00 0.00 57.00 56.86 2k36 n GLN 123 Cb 0.00 -1.07 -0.05 0.00 2.41 0.00 0.00 30.24 31.53 2k36 n GLN 123 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2k36 s SER 124 N -4.87 6.65 -0.03 1.69 0.01 -1.26 -4.82 113.70 111.07 2k36 s SER 124 Ca -0.12 0.62 0.04 0.00 1.31 0.00 0.00 55.95 57.79 2k36 s SER 124 Cb 0.02 -2.41 0.06 0.00 0.21 0.00 0.00 66.02 63.90 2k36 s SER 124 CO 0.18 -0.63 1.03 -0.11 0.41 0.00 0.00 173.24 174.12 2k36 n LEU 125 N 6.24 0.49 0.00 2.44 7.94 -1.26 -4.82 117.00 128.03 2k36 n LEU 125 Ca 0.04 -1.44 0.00 0.00 -1.11 0.00 0.00 56.01 53.50 2k36 n LEU 125 Cb 0.48 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.34 2k36 n LEU 125 CO 0.51 0.35 0.00 0.61 -1.11 0.00 0.00 177.39 177.74 2k36 n GLY 126 N -0.30 -1.79 5.38 -3.96 0.00 -1.26 -5.08 105.19 98.18 2k36 n GLY 126 Ca 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2k36 n GLY 126 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k36 n ASN 127 N 3.00 0.00 -2.29 1.61 5.15 -1.26 -4.81 115.26 116.66 2k36 n ASN 127 Ca 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 2k36 n ASN 127 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 2k36 n ASN 127 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 2k36 n ILE 128 N 0.00 -0.53 0.28 -1.44 5.41 -1.26 -4.03 119.36 117.79 2k36 n ILE 128 Ca 0.00 0.00 0.15 0.00 1.00 0.00 0.00 62.75 63.90 2k36 n ILE 128 Cb 0.00 -1.77 0.80 0.00 -0.71 0.00 0.00 39.64 37.96 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 0.35 0.00 1.39 1.35 -1.92 -2.59 112.91 111.49 2k36 h THR 129 Ca -0.30 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2k36 h THR 129 Cb 1.18 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2k36 h THR 129 CO 0.37 0.08 0.01 0.47 -0.25 0.00 0.00 175.52 176.19 2k36 n ASP 130 N -3.42 0.04 0.05 5.36 9.92 -1.26 -0.38 116.55 126.85 2k36 n ASP 130 Ca -0.01 0.51 0.13 0.00 -0.53 0.00 0.00 54.79 54.88 2k36 n ASP 130 Cb 0.23 -0.51 0.50 0.00 -0.64 0.00 0.00 41.12 40.69 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 -1.54 0.33 0.00 0.64 0.00 -0.98 -4.85 117.00 110.60 2k36 n LEU 131 Ca -0.00 0.54 0.00 0.00 0.00 0.00 0.00 56.01 56.55 2k36 n LEU 131 Cb 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 43.42 42.98 2k36 n LEU 131 CO 0.01 -0.15 0.00 1.15 0.00 0.00 0.00 177.39 178.40 2k36 n MET 132 N -1.82 0.00 -4.05 1.96 0.00 0.49 -4.81 117.12 108.88 2k36 n MET 132 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.67 2k36 n MET 132 Cb 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.45 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 -2.02 0.24 0.51 3.17 -4.23 -1.26 -4.95 115.64 107.10 2k36 s THR 133 Ca 0.00 -1.37 0.32 0.00 -1.18 0.00 0.00 61.69 59.46 2k36 s THR 133 Cb 0.00 -0.91 0.51 0.00 1.34 0.00 0.00 72.50 73.44 2k36 s THR 133 CO 0.00 -0.72 1.80 -0.78 -0.54 0.00 0.00 174.62 174.38 2k36 h ASP 134 N 3.90 0.11 0.76 3.99 3.58 -1.99 0.66 116.42 127.43 2k36 h ASP 134 Ca -0.33 0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.05 2k36 h ASP 134 Cb 1.18 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 2k36 h ASP 134 CO 0.53 0.02 -0.41 -0.78 -2.88 0.00 0.00 179.24 175.72 2k36 h ASP 135 N 0.09 0.00 0.72 2.28 3.58 -2.01 -2.77 116.42 118.31 2k36 h ASP 135 Ca 0.57 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.76 2k36 h ASP 135 Cb 2.06 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.10 2k36 h ASP 135 CO -0.08 0.41 -1.16 -1.13 -2.88 0.00 0.00 179.24 174.39 2k36 h ASN 136 N 0.00 0.31 -0.98 2.28 -0.73 -0.16 -3.15 115.58 113.16 2k36 h ASN 136 Ca -0.00 -0.33 0.08 0.00 1.87 0.00 0.00 56.30 57.91 2k36 h ASN 136 Cb 0.90 -0.10 -0.07 0.00 0.27 0.00 0.00 38.32 39.32 2k36 h ASN 136 CO 0.05 1.25 0.63 0.40 -0.37 0.00 0.00 177.43 179.39 2k36 h ILE 137 N 0.06 1.04 -0.51 2.57 5.03 -0.72 0.26 117.51 125.24 2k36 h ILE 137 Ca -0.10 -0.37 -0.05 0.00 -0.12 0.00 0.00 64.86 64.22 2k36 h ILE 137 Cb 1.90 -0.15 -0.02 0.00 -3.03 0.00 0.00 36.82 35.52 2k36 h ILE 137 CO 0.18 0.20 0.13 0.78 -0.68 0.00 0.00 178.15 178.77 2k36 h ASN 138 N 1.09 0.77 -0.75 1.72 2.35 -1.49 0.94 115.58 120.21 2k36 h ASN 138 Ca 0.44 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 2k36 h ASN 138 Cb 0.26 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 2k36 h ASN 138 CO -0.19 0.80 0.28 0.40 -1.65 0.00 0.00 177.43 177.07 2k36 h ILE 139 N 0.71 1.26 0.08 2.81 2.04 -1.17 -1.47 117.51 121.77 2k36 h ILE 139 Ca 0.16 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 2k36 h ILE 139 Cb 0.32 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2k36 h ILE 139 CO 0.00 0.33 -0.04 0.25 0.00 0.00 0.00 178.15 178.69 2k36 h LEU 140 N 1.08 -0.09 -0.61 1.44 7.12 -0.13 0.59 115.31 124.72 2k36 h LEU 140 Ca 0.25 -0.17 0.12 0.00 0.13 0.00 0.00 57.88 58.21 2k36 h LEU 140 Cb 0.24 0.02 -0.09 0.00 -0.53 0.00 0.00 40.66 40.30 2k36 h LEU 140 CO -0.02 0.11 0.10 0.40 -0.13 0.00 0.00 178.44 178.91 2k36 h ILE 141 N -0.30 0.60 -0.07 4.05 1.08 -0.69 -0.42 117.51 121.76 2k36 h ILE 141 Ca -0.01 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 2k36 h ILE 141 Cb 0.25 0.36 -0.00 0.00 -3.07 0.00 0.00 36.82 34.36 2k36 h ILE 141 CO 0.02 0.04 0.01 -0.07 -0.69 0.00 0.00 178.15 177.46 2k36 h LEU 142 N 0.22 0.11 -0.37 1.44 4.07 -0.79 0.43 115.31 120.43 2k36 h LEU 142 Ca 0.32 -0.28 0.05 0.00 0.08 0.00 0.00 57.88 58.05 2k36 h LEU 142 Cb 0.49 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.16 2k36 h LEU 142 CO -0.44 0.36 0.12 0.15 -1.08 0.00 0.00 178.44 177.55 2k36 h PHE 143 N -0.14 0.20 -0.45 1.13 3.57 0.51 -2.24 116.94 119.53 2k36 h PHE 143 Ca 0.02 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 2k36 h PHE 143 Cb 0.30 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2k36 h PHE 143 CO 0.02 0.07 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.96 2k36 h LEU 144 N 0.26 0.91 -2.00 0.59 3.38 -0.92 -2.96 115.31 114.58 2k36 h LEU 144 Ca 0.17 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.84 2k36 h LEU 144 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2k36 h LEU 144 CO -0.19 1.08 0.40 -0.33 0.09 0.00 0.00 178.44 179.49 2k36 h GLU 145 N 0.73 0.00 -1.02 1.13 5.08 0.47 1.19 114.58 122.16 2k36 h GLU 145 Ca 0.11 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.73 2k36 h GLU 145 Cb 0.71 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.84 2k36 h GLU 145 CO 0.05 0.00 0.62 0.87 -1.00 0.00 0.00 179.01 179.55 2k36 h LYS 146 N 0.00 0.50 0.00 2.33 1.79 -1.31 -3.13 116.57 116.75 2k36 h LYS 146 Ca 0.13 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2k36 h LYS 146 Cb 0.92 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 2k36 h LYS 146 CO -0.00 0.33 -0.97 1.63 -1.08 0.00 0.00 179.45 179.36 2k36 n LYS 147 N -4.83 0.22 -2.13 3.15 4.01 0.17 -5.03 118.16 113.71 2k36 n LYS 147 Ca 0.27 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.79 2k36 n LYS 147 Cb 0.80 -0.98 0.14 0.00 -0.51 0.00 0.00 35.03 34.48 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 -2.93 2.78 0.00 -0.35 2.01 0.36 -5.04 118.68 115.50 2k36 s LEU 148 Ca 0.00 0.18 0.00 0.00 0.01 0.00 0.00 54.13 54.32 2k36 s LEU 148 Cb 0.00 -2.43 0.00 0.00 0.01 0.00 0.00 46.19 43.77 2k36 s LEU 148 CO 0.00 -2.27 0.00 -3.20 1.01 0.00 0.00 176.35 171.89