#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 0.27 -2.82 3.17 0.00 -1.26 -5.01 120.51 114.85 2k36 n ALA 2 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2k36 n ALA 2 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.30 -1.34 -0.10 0.00 -1.04 -1.26 -4.87 114.28 105.37 2k36 n THR 3 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 2k36 n THR 3 Cb 0.00 -2.79 -0.09 0.00 -1.82 0.00 0.00 70.33 65.63 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 -3.52 0.49 0.03 -2.82 2.85 -1.26 -4.59 118.16 109.34 2k36 n LYS 4 Ca -0.14 0.13 -0.14 0.00 -1.05 0.00 0.00 58.31 57.11 2k36 n LYS 4 Cb 0.62 -1.38 -0.14 0.00 -0.65 0.00 0.00 35.03 33.49 2k36 n LYS 4 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2k36 h LEU 5 N -0.10 0.24 -8.60 -5.58 5.85 -2.01 -3.45 115.31 101.67 2k36 h LEU 5 Ca -0.45 -0.39 -0.66 0.00 0.84 0.00 0.00 57.88 57.21 2k36 h LEU 5 Cb 1.66 -0.08 -0.22 0.00 0.37 0.00 0.00 40.66 42.38 2k36 h LEU 5 CO -0.10 1.34 -0.58 1.51 -0.34 0.00 0.00 178.44 180.27 2k36 s ASP 6 N -6.71 5.43 0.00 1.25 -4.77 -1.26 -4.76 116.67 105.84 2k36 s ASP 6 Ca -0.09 -0.41 0.00 0.00 -3.30 0.00 0.00 52.55 48.76 2k36 s ASP 6 Cb 0.07 -1.98 0.00 0.00 -1.09 0.00 0.00 42.92 39.93 2k36 s ASP 6 CO 0.83 -0.14 0.00 0.00 0.70 0.00 0.00 175.17 176.56 2k36 n TYR 7 N 4.96 0.00 0.00 2.11 9.36 -1.26 -4.64 117.16 127.70 2k36 n TYR 7 Ca -0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.07 2k36 n TYR 7 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 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 0.00 0.00 -3.89 2.98 1.02 -1.26 -4.64 120.64 114.85 2k36 n GLU 8 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 2k36 n GLU 8 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 2k36 n GLU 8 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k36 n ASP 9 N -2.19 -2.69 -3.38 1.62 2.03 -1.26 -4.79 116.55 105.89 2k36 n ASP 9 Ca 0.00 -0.86 -0.32 0.00 0.52 0.00 0.00 54.79 54.13 2k36 n ASP 9 Cb 0.00 -3.67 -0.03 0.00 -0.72 0.00 0.00 41.12 36.70 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 -4.47 4.67 -0.15 -1.67 0.00 -1.26 -4.60 120.51 113.02 2k36 n ALA 10 Ca -0.13 -2.73 -0.03 0.00 0.00 0.00 0.00 53.44 50.55 2k36 n ALA 10 Cb 0.60 -3.28 0.04 0.00 0.00 0.00 0.00 19.45 16.80 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 3.76 0.56 -3.17 0.00 3.04 -2.02 -3.42 116.25 114.99 2k36 h VAL 11 Ca 0.52 -0.01 -0.58 0.00 -1.01 0.00 0.00 66.70 65.62 2k36 h VAL 11 Cb 0.37 0.52 0.12 0.00 -2.01 0.00 0.00 31.29 30.30 2k36 h VAL 11 CO 1.68 0.01 0.30 2.22 -1.01 0.00 0.00 177.57 180.77 2k36 n PHE 12 N -5.31 1.60 -0.09 3.17 1.16 -1.26 -4.95 117.46 111.78 2k36 n PHE 12 Ca 0.04 0.56 -0.18 0.00 -1.87 0.00 0.00 57.45 56.00 2k36 n PHE 12 Cb 0.26 -2.30 -0.07 0.00 -1.61 0.00 0.00 39.48 35.76 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 -0.24 0.00 0.74 2.97 9.36 -1.26 -4.51 117.16 124.22 2k36 n TYR 13 Ca 0.08 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.39 2k36 n TYR 13 Cb 0.38 -0.68 0.42 0.00 -0.63 0.00 0.00 39.34 38.84 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 -3.59 0.00 -0.28 2.98 3.72 -1.26 -2.72 117.46 116.31 2k36 n PHE 14 Ca -0.35 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.12 2k36 n PHE 14 Cb 0.78 -0.39 0.19 0.00 -0.94 0.00 0.00 39.48 39.13 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 0.28 -0.12 -4.37 3.04 -1.98 -2.16 116.25 110.95 2k36 h VAL 15 Ca 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 2k36 h VAL 15 Cb 0.24 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 29.69 2k36 h VAL 15 CO 0.00 0.02 0.00 -0.67 -1.01 0.00 0.00 177.57 175.91 2k36 n ASP 16 N -5.36 2.99 -0.18 3.17 2.03 -1.10 0.43 116.55 118.53 2k36 n ASP 16 Ca 0.16 -2.98 0.15 0.00 0.52 0.00 0.00 54.79 52.63 2k36 n ASP 16 Cb 0.54 -0.45 0.48 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.80 0.44 0.00 1.67 3.58 -1.40 -3.40 116.42 118.12 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 1.15 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.14 2k36 h ASP 17 CO 0.09 0.23 0.00 -0.67 -2.88 0.00 0.00 179.24 176.01 2k36 n ASP 18 N -4.49 0.00 -4.65 2.28 -0.08 -1.26 -4.86 116.55 103.49 2k36 n ASP 18 Ca 0.15 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.13 2k36 n ASP 18 Cb 0.51 -0.07 -0.10 0.00 2.34 0.00 0.00 41.12 43.80 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 2.03 0.20 -0.67 -2.85 -1.26 -4.28 119.74 112.90 2k36 s LYS 19 Ca 0.00 -2.21 -0.30 0.00 -1.00 0.00 0.00 55.97 52.46 2k36 s LYS 19 Cb 0.00 -1.53 -0.08 0.00 -2.06 0.00 0.00 37.83 34.16 2k36 s LYS 19 CO 0.00 -0.18 0.97 -1.50 0.10 0.00 0.00 175.35 174.74 2k36 s ILE 20 N -2.82 4.12 0.00 3.79 1.10 -1.26 -4.68 121.20 121.45 2k36 s ILE 20 Ca 0.24 1.99 0.00 0.00 -0.51 0.00 0.00 60.65 62.37 2k36 s ILE 20 Cb 0.07 -4.27 0.00 0.00 0.15 0.00 0.00 42.46 38.41 2k36 s ILE 20 CO 0.12 0.42 0.00 0.00 -2.11 0.00 0.00 174.94 173.37 2k36 s SER 22 N -0.98 5.20 0.34 0.00 0.15 -1.26 -4.92 113.70 112.23 2k36 s SER 22 Ca 0.00 1.86 0.03 0.00 0.70 0.00 0.00 55.95 58.54 2k36 s SER 22 Cb 0.00 -2.53 0.63 0.00 -1.71 0.00 0.00 66.02 62.41 2k36 s SER 22 CO 0.00 -1.56 1.95 0.03 1.20 0.00 0.00 173.24 174.86 2k36 h ARG 23 N -0.22 0.86 0.00 5.44 3.08 -1.99 -0.37 114.38 121.19 2k36 h ARG 23 Ca -0.46 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2k36 h ARG 23 Cb 1.23 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2k36 h ARG 23 CO 0.55 0.57 0.00 -3.47 -1.07 0.00 0.00 179.97 176.55 2k36 n ASP 24 N -4.47 0.00 -0.02 7.04 2.03 -1.26 -2.84 116.55 117.03 2k36 n ASP 24 Ca 0.11 -0.38 0.06 0.00 0.52 0.00 0.00 54.79 55.09 2k36 n ASP 24 Cb 0.18 -0.16 -0.13 0.00 -0.72 0.00 0.00 41.12 40.29 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 -1.16 1.21 -0.01 1.67 2.88 -0.18 -3.91 113.62 114.12 2k36 n SER 25 Ca 0.15 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.84 2k36 n SER 25 Cb 0.15 1.63 0.74 0.00 -0.75 0.00 0.00 64.21 65.98 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 -2.15 0.00 0.10 2.46 2.08 -1.02 -1.55 119.36 119.28 2k36 n ILE 26 Ca -0.06 -0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.14 2k36 n ILE 26 Cb 0.52 -0.46 -0.06 0.00 -0.75 0.00 0.00 39.64 38.88 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 0.05 0.55 -0.04 1.39 1.08 -1.68 -3.09 117.51 115.78 2k36 h ILE 27 Ca 0.00 -0.91 -0.15 0.00 -0.39 0.00 0.00 64.86 63.40 2k36 h ILE 27 Cb 0.30 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 2k36 h ILE 27 CO 0.00 0.14 -0.66 0.44 -0.69 0.00 0.00 178.15 177.37 2k36 h ASP 28 N -0.95 0.18 -0.51 1.72 3.32 -1.72 -3.30 116.42 115.16 2k36 h ASP 28 Ca -0.03 -0.11 0.10 0.00 0.02 0.00 0.00 57.03 57.00 2k36 h ASP 28 Cb 0.48 -0.05 -0.09 0.00 0.22 0.00 0.00 39.33 39.89 2k36 h ASP 28 CO 0.06 0.79 -0.09 0.25 -1.72 0.00 0.00 179.24 178.53 2k36 h LEU 29 N 0.11 -0.40 -1.54 1.55 5.85 -1.34 0.11 115.31 119.65 2k36 h LEU 29 Ca -0.01 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2k36 h LEU 29 Cb 1.19 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 2k36 h LEU 29 CO 0.10 -0.14 0.29 0.40 -0.34 0.00 0.00 178.44 178.74 2k36 h ILE 30 N 0.03 1.12 -0.17 4.05 1.08 -1.61 0.41 117.51 122.43 2k36 h ILE 30 Ca 0.25 -0.23 -0.10 0.00 -0.39 0.00 0.00 64.86 64.39 2k36 h ILE 30 Cb 0.39 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.60 2k36 h ILE 30 CO -0.50 0.12 -0.28 -0.78 -0.69 0.00 0.00 178.15 176.02 2k36 h ASP 31 N 0.61 0.54 0.14 1.72 3.58 -1.08 -2.31 116.42 119.62 2k36 h ASP 31 Ca 0.16 -0.53 -0.00 0.00 0.42 0.00 0.00 57.03 57.08 2k36 h ASP 31 Cb -0.06 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2k36 h ASP 31 CO -0.03 0.97 -0.11 -0.33 -2.88 0.00 0.00 179.24 176.86 2k36 h GLU 32 N 0.13 -0.24 0.57 0.28 4.39 0.21 -1.05 114.58 118.87 2k36 h GLU 32 Ca 0.01 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 2k36 h GLU 32 Cb 0.86 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2k36 h GLU 32 CO 0.06 -0.16 -0.27 -0.92 -1.16 0.00 0.00 179.01 176.56 2k36 h TYR 33 N -0.25 -0.71 -0.48 4.33 3.20 -0.27 0.98 116.97 123.76 2k36 h TYR 33 Ca -0.01 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.97 2k36 h TYR 33 Cb 0.23 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 2k36 h TYR 33 CO -0.10 -0.43 0.34 0.82 -1.64 0.00 0.00 178.16 177.15 2k36 h ILE 34 N -0.80 0.80 0.06 1.81 1.08 -1.45 0.41 117.51 119.43 2k36 h ILE 34 Ca -0.08 -0.03 -0.28 0.00 -0.39 0.00 0.00 64.86 64.08 2k36 h ILE 34 Cb 0.60 0.71 0.03 0.00 -3.07 0.00 0.00 36.82 35.08 2k36 h ILE 34 CO 0.13 0.02 -1.14 0.74 -0.69 0.00 0.00 178.15 177.21 2k36 h THR 35 N 0.09 1.28 -0.51 -0.27 2.02 -0.41 -3.25 112.91 111.86 2k36 h THR 35 Ca 0.23 -2.35 -0.11 0.00 0.77 0.00 0.00 66.41 64.94 2k36 h THR 35 Cb 0.78 2.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.73 2k36 h THR 35 CO -0.02 0.72 -0.12 -0.25 0.37 0.00 0.00 175.52 176.22 2k36 h TRP 36 N 0.31 1.06 -0.07 3.16 7.01 0.30 0.18 115.95 127.90 2k36 h TRP 36 Ca -0.16 -0.22 0.02 0.00 2.11 0.00 0.00 58.89 60.64 2k36 h TRP 36 Cb 1.80 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 28.60 2k36 h TRP 36 CO 0.11 1.01 0.11 0.00 -2.79 0.00 0.00 178.44 176.88 2k36 h ARG 37 N 0.85 0.00 0.14 2.65 2.47 -0.40 -0.87 114.38 119.22 2k36 h ARG 37 Ca 0.13 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.56 2k36 h ARG 37 Cb 0.67 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 2k36 h ARG 37 CO 0.05 0.00 -1.45 -0.97 0.56 0.00 0.00 179.97 178.16 2k36 h ASN 38 N 0.00 0.46 -0.64 7.04 -0.73 -1.11 -3.35 115.58 117.25 2k36 h ASN 38 Ca 0.03 -0.88 0.15 0.00 1.87 0.00 0.00 56.30 57.47 2k36 h ASN 38 Cb 0.26 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.67 2k36 h ASN 38 CO -0.00 1.65 0.44 0.45 -0.37 0.00 0.00 177.43 179.60 2k36 h HIS 39 N -0.20 0.21 0.00 0.67 3.86 0.65 0.14 115.15 120.48 2k36 h HIS 39 Ca -0.30 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2k36 h HIS 39 Cb 1.84 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 30.25 2k36 h HIS 39 CO 0.13 0.08 0.00 0.28 0.86 0.00 0.00 177.93 179.28 2k36 h VAL 40 N 0.18 0.00 0.00 2.45 2.07 -1.50 -2.52 116.25 116.93 2k36 h VAL 40 Ca 0.31 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2k36 h VAL 40 Cb 0.96 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2k36 h VAL 40 CO -0.05 0.00 -0.57 -0.38 0.02 0.00 0.00 177.57 176.59 2k36 n ILE 41 N -2.86 1.01 -0.08 4.57 2.08 0.40 -1.70 119.36 122.78 2k36 n ILE 41 Ca 0.01 0.27 -0.06 0.00 0.56 0.00 0.00 62.75 63.52 2k36 n ILE 41 Cb 0.26 -2.09 -0.00 0.00 -0.75 0.00 0.00 39.64 37.05 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 -0.69 0.54 -0.00 1.39 -1.51 -1.41 -0.73 116.25 113.83 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 0.57 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 2k36 h VAL 42 CO 0.00 0.00 -0.39 0.49 -1.23 0.00 0.00 177.57 176.44 2k36 n PHE 43 N -5.33 0.00 -3.87 5.19 3.01 -0.95 -4.84 117.46 110.67 2k36 n PHE 43 Ca 0.01 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 2k36 n PHE 43 Cb 0.24 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.06 -2.29 -0.65 4.37 4.05 -0.28 -4.04 115.26 115.36 2k36 n ASN 44 Ca 0.09 -1.04 0.00 0.00 0.45 0.00 0.00 54.58 54.08 2k36 n ASN 44 Cb 0.34 -3.04 0.00 0.00 1.23 0.00 0.00 39.78 38.31 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 -4.38 3.59 -4.53 1.20 5.02 -0.69 -4.93 118.16 113.45 2k36 n LYS 45 Ca -0.22 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.84 2k36 n LYS 45 Cb 0.64 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.50 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 -1.21 1.55 0.27 4.39 1.11 -1.26 -4.92 116.67 116.60 2k36 s ASP 46 Ca 0.00 -0.25 0.11 0.00 0.18 0.00 0.00 52.55 52.59 2k36 s ASP 46 Cb 0.00 -0.52 0.33 0.00 1.07 0.00 0.00 42.92 43.80 2k36 s ASP 46 CO 0.00 0.07 1.59 -0.29 1.18 0.00 0.00 175.17 177.72 2k36 h ILE 47 N 5.55 1.40 0.00 0.77 6.09 -1.97 -2.82 117.51 126.53 2k36 h ILE 47 Ca -0.33 -2.20 0.00 0.00 -1.37 0.00 0.00 64.86 60.96 2k36 h ILE 47 Cb 1.17 2.20 0.00 0.00 0.47 0.00 0.00 36.82 40.66 2k36 h ILE 47 CO 0.48 0.62 0.00 0.71 -3.07 0.00 0.00 178.15 176.89 2k36 h THR 48 N 0.00 0.00 -1.53 2.19 1.35 -2.01 -3.39 112.91 109.51 2k36 h THR 48 Ca -0.01 -0.60 -0.69 0.00 -0.55 0.00 0.00 66.41 64.56 2k36 h THR 48 Cb 1.15 1.56 -0.13 0.00 -1.73 0.00 0.00 68.15 69.00 2k36 h THR 48 CO 0.08 0.00 1.64 -0.55 -0.25 0.00 0.00 175.52 176.44 2k36 s SER 49 N -5.16 6.84 0.00 5.36 0.15 -1.07 -4.79 113.70 115.03 2k36 s SER 49 Ca 0.07 -2.43 0.00 0.00 0.70 0.00 0.00 55.95 54.30 2k36 s SER 49 Cb 0.09 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2k36 s SER 49 CO 0.58 -1.07 0.00 0.00 1.20 0.00 0.00 173.24 173.95 2k36 n GLY 51 N 0.00 3.14 0.16 0.00 0.00 0.17 -4.78 105.19 103.87 2k36 n GLY 51 Ca 0.00 -2.11 -0.16 0.00 0.00 0.00 0.00 46.02 43.76 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 0.47 -0.75 1.61 3.08 -1.82 -3.17 114.38 113.80 2k36 h ARG 52 Ca 0.00 -0.38 0.14 0.00 0.07 0.00 0.00 59.98 59.81 2k36 h ARG 52 Cb 0.00 0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.03 2k36 h ARG 52 CO 0.00 1.02 0.30 1.25 -1.07 0.00 0.00 179.97 181.46 2k36 h LEU 53 N 0.04 0.27 -0.82 3.04 6.46 -1.83 -1.86 115.31 120.61 2k36 h LEU 53 Ca -0.03 0.11 -0.12 0.00 -0.12 0.00 0.00 57.88 57.72 2k36 h LEU 53 Cb 1.10 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 2k36 h LEU 53 CO 0.09 0.10 -0.46 1.88 -0.62 0.00 0.00 178.44 179.44 2k36 h TYR 54 N 0.43 0.37 -0.46 1.25 -1.99 -1.76 -2.85 116.97 111.96 2k36 h TYR 54 Ca 0.41 -0.11 0.01 0.00 2.00 0.00 0.00 58.73 61.04 2k36 h TYR 54 Cb 0.63 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 2k36 h TYR 54 CO -0.17 0.71 0.30 0.87 -0.00 0.00 0.00 178.16 179.88 2k36 h LYS 55 N 0.25 0.60 -0.21 4.88 1.79 -1.31 -1.21 116.57 121.36 2k36 h LYS 55 Ca 0.02 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 58.26 2k36 h LYS 55 Cb 0.90 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2k36 h LYS 55 CO 0.07 0.40 -0.64 1.49 -1.08 0.00 0.00 179.45 179.69 2k36 h GLU 56 N 0.62 0.76 -0.82 3.15 4.57 -1.45 -2.68 114.58 118.72 2k36 h GLU 56 Ca 0.17 -0.53 0.04 0.00 -1.18 0.00 0.00 59.36 57.86 2k36 h GLU 56 Cb -0.06 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.57 2k36 h GLU 56 CO -0.04 1.16 0.54 -0.07 -1.18 0.00 0.00 179.01 179.42 2k36 h LEU 57 N 0.56 0.85 -1.51 1.64 -0.00 -1.26 -1.28 115.31 114.31 2k36 h LEU 57 Ca -0.01 -0.01 0.03 0.00 -0.00 0.00 0.00 57.88 57.90 2k36 h LEU 57 Cb 1.24 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 41.68 2k36 h LEU 57 CO 0.13 0.58 0.37 0.24 -0.00 0.00 0.00 178.44 179.76 2k36 h MET 58 N 0.98 0.62 0.00 1.13 2.86 -0.92 0.93 114.93 120.54 2k36 h MET 58 Ca 0.34 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2k36 h MET 58 Cb 0.09 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2k36 h MET 58 CO -0.11 0.41 0.00 0.87 1.06 0.00 0.00 176.91 179.14 2k36 h LYS 59 N 0.64 0.00 0.00 1.72 1.57 -1.07 -0.11 116.57 119.31 2k36 h LYS 59 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2k36 h LYS 59 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2k36 h LYS 59 CO -0.06 0.00 0.00 0.74 -0.57 0.00 0.00 179.45 179.56 2k36 h PHE 60 N 0.00 0.00 -0.42 -1.35 0.04 -0.77 0.64 116.94 115.09 2k36 h PHE 60 Ca 0.00 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 2k36 h PHE 60 Cb 0.29 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2k36 h PHE 60 CO 0.00 0.00 -0.33 0.22 -0.60 0.00 0.00 178.31 177.60 2k36 h ASP 61 N 0.00 1.01 0.01 2.17 3.58 -1.02 -2.53 116.42 119.63 2k36 h ASP 61 Ca 0.00 -0.44 -0.26 0.00 0.42 0.00 0.00 57.03 56.75 2k36 h ASP 61 Cb 0.71 -0.28 0.02 0.00 1.72 0.00 0.00 39.33 41.50 2k36 h ASP 61 CO 0.00 1.24 -1.00 -0.78 -2.88 0.00 0.00 179.24 175.82 2k36 h ASP 62 N 0.79 0.87 -0.22 2.28 3.58 -1.39 -0.17 116.42 122.16 2k36 h ASP 62 Ca 0.08 -0.75 -0.05 0.00 0.42 0.00 0.00 57.03 56.73 2k36 h ASP 62 Cb 0.92 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 2k36 h ASP 62 CO 0.09 1.50 0.00 1.62 -2.88 0.00 0.00 179.24 179.57 2k36 h VAL 63 N 0.33 1.19 -0.11 2.25 3.04 -0.95 0.58 116.25 122.59 2k36 h VAL 63 Ca -0.13 -0.76 -0.14 0.00 -1.01 0.00 0.00 66.70 64.66 2k36 h VAL 63 Cb 1.67 0.94 0.01 0.00 -2.01 0.00 0.00 31.29 31.89 2k36 h VAL 63 CO 0.20 0.26 -0.48 0.00 -1.01 0.00 0.00 177.57 176.54 2k36 h ALA 64 N 1.52 0.20 -0.86 3.17 0.00 -1.28 0.24 119.26 122.25 2k36 h ALA 64 Ca 0.11 -0.50 0.09 0.00 0.00 0.00 0.00 54.91 54.61 2k36 h ALA 64 Cb 0.32 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2k36 h ALA 64 CO 0.01 0.37 0.56 0.82 0.00 0.00 0.00 179.25 181.01 2k36 h ILE 65 N 0.11 0.99 -0.25 0.00 2.04 -0.42 0.57 117.51 120.55 2k36 h ILE 65 Ca -0.03 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 2k36 h ILE 65 Cb 1.12 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2k36 h ILE 65 CO 0.10 0.16 -0.20 -0.09 0.00 0.00 0.00 178.15 178.12 2k36 h ARG 66 N 0.88 0.58 0.00 2.37 2.43 0.30 -2.41 114.38 118.52 2k36 h ARG 66 Ca 0.39 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2k36 h ARG 66 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2k36 h ARG 66 CO -0.16 0.87 -0.00 -0.92 -1.51 0.00 0.00 179.97 178.25 2k36 h TYR 67 N 0.29 0.00 -0.20 2.20 5.03 0.15 -3.40 116.97 121.04 2k36 h TYR 67 Ca 0.04 0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.19 2k36 h TYR 67 Cb 0.75 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.03 2k36 h TYR 67 CO 0.07 0.00 -0.54 1.88 -1.32 0.00 0.00 178.16 178.25 2k36 h TYR 68 N -0.07 0.92 0.00 -3.82 0.05 -0.09 -3.50 116.97 110.47 2k36 h TYR 68 Ca 0.00 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.42 2k36 h TYR 68 Cb 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.58 2k36 h TYR 68 CO -0.00 1.16 0.00 0.41 -1.05 0.00 0.00 178.16 178.68 2k36 n GLY 69 N 0.51 2.74 0.26 3.88 0.00 -0.73 -4.54 105.19 107.32 2k36 n GLY 69 Ca -0.06 -1.52 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 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 0.99 -0.10 -0.61 6.09 -1.82 0.26 117.51 122.32 2k36 h ILE 70 Ca 0.00 -0.25 0.04 0.00 -1.37 0.00 0.00 64.86 63.28 2k36 h ILE 70 Cb 0.00 0.21 -0.04 0.00 0.47 0.00 0.00 36.82 37.46 2k36 h ILE 70 CO 0.00 0.13 -0.16 -0.78 -3.07 0.00 0.00 178.15 174.27 2k36 h ASP 71 N 0.72 -0.48 -0.54 2.19 3.58 -1.91 0.45 116.42 120.42 2k36 h ASP 71 Ca 0.29 0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.77 2k36 h ASP 71 Cb 0.15 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2k36 h ASP 71 CO -0.17 -0.21 0.11 0.11 -2.88 0.00 0.00 179.24 176.21 2k36 h LYS 72 N -0.21 0.88 -0.37 0.28 1.79 -1.60 -1.50 116.57 115.84 2k36 h LYS 72 Ca 0.08 -0.22 0.02 0.00 -2.18 0.00 0.00 60.65 58.35 2k36 h LYS 72 Cb 0.33 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 2k36 h LYS 72 CO -0.22 0.84 0.22 0.82 -1.08 0.00 0.00 179.45 180.03 2k36 h ILE 73 N 0.77 1.04 -0.45 1.86 2.04 0.02 0.53 117.51 123.33 2k36 h ILE 73 Ca 0.17 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.95 2k36 h ILE 73 Cb 0.37 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 2k36 h ILE 73 CO 0.01 0.08 0.05 0.78 0.00 0.00 0.00 178.15 179.07 2k36 h ASN 74 N 0.44 -0.08 0.03 1.72 2.35 0.15 0.56 115.58 120.75 2k36 h ASN 74 Ca 0.15 0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.85 2k36 h ASN 74 Cb 0.01 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2k36 h ASN 74 CO -0.07 -0.01 -0.43 -0.33 -1.65 0.00 0.00 177.43 174.95 2k36 h GLU 75 N 0.17 0.50 0.12 0.81 5.08 -0.59 -3.13 114.58 117.53 2k36 h GLU 75 Ca 0.22 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2k36 h GLU 75 Cb 0.30 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2k36 h GLU 75 CO -0.32 0.83 -0.06 0.82 -1.00 0.00 0.00 179.01 179.28 2k36 h ILE 76 N 0.41 1.06 -0.22 3.13 5.03 0.72 -2.74 117.51 124.90 2k36 h ILE 76 Ca 0.03 -1.14 0.06 0.00 -0.12 0.00 0.00 64.86 63.69 2k36 h ILE 76 Cb 0.92 1.73 -0.07 0.00 -3.03 0.00 0.00 36.82 36.37 2k36 h ILE 76 CO 0.08 0.26 -0.26 1.62 -0.68 0.00 0.00 178.15 179.17 2k36 h VAL 77 N -0.74 0.37 -0.82 1.67 3.04 0.05 -0.38 116.25 119.44 2k36 h VAL 77 Ca -0.02 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.72 2k36 h VAL 77 Cb 0.54 0.37 -0.05 0.00 -2.01 0.00 0.00 31.29 30.15 2k36 h VAL 77 CO 0.03 0.00 0.54 -0.33 -1.01 0.00 0.00 177.57 176.80 2k36 h GLU 78 N -0.28 0.95 0.08 4.17 5.08 -1.66 -2.60 114.58 120.32 2k36 h GLU 78 Ca 0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2k36 h GLU 78 Cb 0.47 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2k36 h GLU 78 CO -0.38 0.63 -0.07 0.00 -1.00 0.00 0.00 179.01 178.19 2k36 h ALA 79 N 1.53 -0.15 -1.12 3.43 0.00 -0.78 -1.73 119.26 120.44 2k36 h ALA 79 Ca 0.34 -0.02 0.31 0.00 0.00 0.00 0.00 54.91 55.54 2k36 h ALA 79 Cb 0.10 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 2k36 h ALA 79 CO -0.11 -0.59 0.75 0.52 0.00 0.00 0.00 179.25 179.82 2k36 h MET 80 N -0.17 0.24 0.00 0.00 2.86 -0.91 0.11 114.93 117.07 2k36 h MET 80 Ca 0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2k36 h MET 80 Cb 0.16 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 2k36 h MET 80 CO -0.02 0.16 -0.11 0.77 1.06 0.00 0.00 176.91 178.77 2k36 h SER 81 N 0.25 0.00 0.13 1.22 0.02 -1.15 -1.92 113.55 112.10 2k36 h SER 81 Ca 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.57 2k36 h SER 81 Cb 1.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.40 2k36 h SER 81 CO -0.24 0.11 -0.38 -0.62 -1.14 0.00 0.00 176.83 174.56 2k36 n GLU 82 N -3.20 0.96 -2.09 3.45 -0.58 0.36 -3.59 120.64 115.94 2k36 n GLU 82 Ca 0.01 -0.68 -0.03 0.00 -0.42 0.00 0.00 57.16 56.04 2k36 n GLU 82 Cb 0.42 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.80 2k36 n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k36 n GLY 83 N 1.38 0.27 3.18 0.62 0.00 -0.72 -4.97 105.19 104.95 2k36 n GLY 83 Ca 0.11 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.87 -0.38 0.00 1.61 2.15 -1.08 -5.00 116.67 111.10 2k36 s ASP 84 Ca 0.00 0.70 0.00 0.00 0.43 0.00 0.00 52.55 53.68 2k36 s ASP 84 Cb -0.00 0.62 0.00 0.00 -0.30 0.00 0.00 42.92 43.24 2k36 s ASP 84 CO 0.01 -0.16 0.00 0.00 -0.17 0.00 0.00 175.17 174.85 2k36 n HIS 85 N 3.85 -0.62 0.00 -5.34 1.44 -1.26 -3.75 115.22 109.54 2k36 n HIS 85 Ca -0.21 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.50 2k36 n HIS 85 Cb 0.55 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.66 2k36 n HIS 85 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2k36 n TYR 86 N 0.00 0.00 -1.38 -1.40 4.02 -1.26 -5.13 117.16 112.02 2k36 n TYR 86 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2k36 n TYR 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2k36 n TYR 86 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2k36 n ILE 87 N -0.91 -7.80 -3.72 -0.72 -0.00 -1.26 -5.06 119.36 99.89 2k36 n ILE 87 Ca 0.00 1.69 -0.25 0.00 -0.00 0.00 0.00 62.75 64.19 2k36 n ILE 87 Cb 0.00 -3.97 -0.17 0.00 -0.00 0.00 0.00 39.64 35.49 2k36 n ILE 87 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 2k36 s ASN 88 N -0.27 2.18 -0.02 4.38 2.47 -1.26 -5.14 114.94 117.28 2k36 s ASN 88 Ca 0.00 -0.44 -0.21 0.00 0.42 0.00 0.00 52.86 52.63 2k36 s ASN 88 Cb 0.00 -0.44 -0.05 0.00 -1.45 0.00 0.00 41.25 39.30 2k36 s ASN 88 CO 0.00 -0.27 0.62 0.72 -3.72 0.00 0.00 177.10 174.45 2k36 s PHE 89 N 1.97 3.66 -0.88 0.43 -0.71 -1.26 -5.01 117.98 116.18 2k36 s PHE 89 Ca 0.02 1.21 -0.09 0.00 -1.04 0.00 0.00 56.93 57.03 2k36 s PHE 89 Cb -0.15 -2.65 0.23 0.00 -1.21 0.00 0.00 43.02 39.24 2k36 s PHE 89 CO -0.07 0.30 0.81 0.95 -1.34 0.00 0.00 175.22 175.87 2k36 s THR 90 N 0.01 5.23 0.00 -4.49 -4.23 -1.26 -4.96 115.64 105.93 2k36 s THR 90 Ca 0.32 -3.02 0.00 0.00 -1.18 0.00 0.00 61.69 57.81 2k36 s THR 90 Cb -0.18 -4.22 0.00 0.00 1.34 0.00 0.00 72.50 69.44 2k36 s THR 90 CO 0.17 -1.06 0.00 1.17 -0.54 0.00 0.00 174.62 174.37 2k36 n LYS 91 N 3.30 0.00 -0.14 3.99 3.00 -1.26 -4.35 118.16 122.70 2k36 n LYS 91 Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.46 2k36 n LYS 91 Cb 0.42 -0.46 0.03 0.00 0.00 0.00 0.00 35.03 35.02 2k36 n LYS 91 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2k36 n VAL 92 N -0.51 0.90 -0.07 3.15 0.24 -1.26 -4.06 118.33 116.72 2k36 n VAL 92 Ca 0.00 -0.22 -0.09 0.00 -2.04 0.00 0.00 64.34 62.00 2k36 n VAL 92 Cb 0.00 -0.75 -0.07 0.00 -1.47 0.00 0.00 33.84 31.56 2k36 n VAL 92 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 2k36 h HIS 93 N 0.28 0.00 -2.77 6.34 3.86 -1.99 -3.49 115.15 117.38 2k36 h HIS 93 Ca 0.05 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2k36 h HIS 93 Cb 1.02 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.35 2k36 h HIS 93 CO 0.18 0.58 0.28 0.34 0.86 0.00 0.00 177.93 180.17 2k36 s ASP 94 N -6.01 -0.52 0.33 2.45 2.15 -1.26 -5.04 116.67 108.77 2k36 s ASP 94 Ca -0.13 0.04 0.00 0.00 0.43 0.00 0.00 52.55 52.89 2k36 s ASP 94 Cb 0.00 0.54 0.55 0.00 -0.30 0.00 0.00 42.92 43.72 2k36 s ASP 94 CO 0.37 -0.86 1.99 -0.61 -0.17 0.00 0.00 175.17 175.88 2k36 h GLN 95 N 2.05 0.93 -0.61 4.34 4.15 -1.95 0.92 115.11 124.94 2k36 h GLN 95 Ca -0.31 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.09 2k36 h GLN 95 Cb 1.28 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.73 2k36 h GLN 95 CO 0.36 0.62 0.40 1.49 -1.93 0.00 0.00 178.83 179.78 2k36 h GLU 96 N 0.96 0.67 0.10 1.69 4.81 -1.98 0.10 114.58 120.93 2k36 h GLU 96 Ca 0.26 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 59.18 2k36 h GLU 96 Cb -0.10 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 2k36 h GLU 96 CO -0.05 0.44 -1.21 1.03 -0.73 0.00 0.00 179.01 178.49 2k36 h SER 97 N 0.69 0.34 0.05 1.04 0.87 -1.60 -1.81 113.55 113.13 2k36 h SER 97 Ca 0.25 -0.37 0.02 0.00 -1.23 0.00 0.00 61.79 60.46 2k36 h SER 97 Cb 0.13 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 2k36 h SER 97 CO -0.07 1.29 -0.25 -0.07 -0.53 0.00 0.00 176.83 177.21 2k36 h LEU 98 N 0.06 -0.71 -0.76 2.23 3.38 0.39 -0.24 115.31 119.66 2k36 h LEU 98 Ca -0.11 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2k36 h LEU 98 Cb 1.94 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.95 2k36 h LEU 98 CO 0.19 -0.32 0.03 -0.26 0.09 0.00 0.00 178.44 178.16 2k36 h PHE 99 N -0.41 1.04 -0.48 1.13 0.04 -1.10 -2.64 116.94 114.53 2k36 h PHE 99 Ca 0.05 -0.16 0.06 0.00 2.80 0.00 0.00 57.97 60.72 2k36 h PHE 99 Cb 0.47 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 2k36 h PHE 99 CO -0.26 0.92 0.32 0.00 -0.60 0.00 0.00 178.31 178.69 2k36 h ALA 100 N 1.12 1.95 -0.25 2.45 0.00 -0.82 -1.16 119.26 122.55 2k36 h ALA 100 Ca 0.17 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2k36 h ALA 100 Cb 0.49 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2k36 h ALA 100 CO 0.02 -0.04 -0.17 1.15 0.00 0.00 0.00 179.25 180.21 2k36 h THR 101 N 0.39 1.24 0.16 0.00 2.02 -0.66 -1.75 112.91 114.30 2k36 h THR 101 Ca 0.21 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 2k36 h THR 101 Cb 0.33 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2k36 h THR 101 CO -0.05 0.34 -0.08 0.40 0.37 0.00 0.00 175.52 176.51 2k36 h ILE 102 N 0.41 0.91 -0.80 3.11 5.03 -1.26 -3.12 117.51 121.78 2k36 h ILE 102 Ca 0.07 -1.09 -0.04 0.00 -0.12 0.00 0.00 64.86 63.69 2k36 h ILE 102 Cb 0.54 1.49 -0.04 0.00 -3.03 0.00 0.00 36.82 35.79 2k36 h ILE 102 CO 0.03 0.22 0.35 1.23 -0.68 0.00 0.00 178.15 179.31 2k36 h GLY 103 N -0.81 1.27 0.80 5.37 0.00 -1.39 0.27 103.07 108.58 2k36 h GLY 103 Ca -0.02 -0.66 0.05 0.00 0.00 0.00 0.00 47.33 46.69 2k36 h GLY 103 CO 0.04 0.63 0.61 1.19 0.00 0.00 0.00 176.54 179.00 2k36 h ILE 104 N 1.15 1.11 0.00 2.60 6.09 -1.44 0.37 117.51 127.40 2k36 h ILE 104 Ca 0.27 -0.39 -0.11 0.00 -1.37 0.00 0.00 64.86 63.25 2k36 h ILE 104 Cb 0.17 -0.13 -0.02 0.00 0.47 0.00 0.00 36.82 37.32 2k36 h ILE 104 CO -0.03 0.21 -0.54 0.00 -3.07 0.00 0.00 178.15 174.72 2k36 h ALA 106 N 1.46 0.60 0.00 0.00 0.00 0.84 -1.28 119.26 120.88 2k36 h ALA 106 Ca -0.01 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 2k36 h ALA 106 Cb 1.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k36 h ALA 106 CO 0.07 0.69 -0.38 -0.22 0.00 0.00 0.00 179.25 179.41 2k36 h LYS 107 N 0.51 0.00 0.04 0.00 1.63 -0.94 -3.00 116.57 114.80 2k36 h LYS 107 Ca 0.01 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2k36 h LYS 107 Cb 1.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 2k36 h LYS 107 CO 0.11 0.38 -0.02 0.82 -3.45 0.00 0.00 179.45 177.29 2k36 h ILE 108 N 0.00 1.26 -0.31 2.00 2.04 -1.37 -3.31 117.51 117.82 2k36 h ILE 108 Ca -0.00 -1.70 0.05 0.00 1.00 0.00 0.00 64.86 64.21 2k36 h ILE 108 Cb 0.73 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 2k36 h ILE 108 CO 0.05 0.39 0.21 0.00 0.00 0.00 0.00 178.15 178.80 2k36 h THR 109 N -0.90 0.94 -0.20 -0.27 1.03 -1.22 -2.11 112.91 110.19 2k36 h THR 109 Ca -0.01 -0.06 -0.20 0.00 -0.01 0.00 0.00 66.41 66.13 2k36 h THR 109 Cb 0.68 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 68.51 2k36 h THR 109 CO 0.01 0.03 -0.68 1.05 -0.01 0.00 0.00 175.52 175.92 2k36 h GLU 110 N 0.18 0.78 -0.82 0.00 4.11 -1.67 -3.29 114.58 113.87 2k36 h GLU 110 Ca 0.14 -0.57 0.17 0.00 0.07 0.00 0.00 59.36 59.17 2k36 h GLU 110 Cb 0.32 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 2k36 h GLU 110 CO -0.02 1.19 0.54 1.25 0.07 0.00 0.00 179.01 182.04 2k36 h HIS 111 N 0.56 0.51 0.00 2.06 2.76 -1.47 -0.11 115.15 119.47 2k36 h HIS 111 Ca -0.02 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2k36 h HIS 111 Cb 1.29 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.09 2k36 h HIS 111 CO 0.07 0.17 0.00 -1.49 -1.30 0.00 0.00 177.93 175.39 2k36 h TRP 112 N 0.42 0.00 -0.21 5.26 6.55 -1.67 -3.33 115.95 122.97 2k36 h TRP 112 Ca 0.41 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.23 2k36 h TRP 112 Cb 0.98 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.27 2k36 h TRP 112 CO -0.00 0.00 0.05 0.78 -1.05 0.00 0.00 178.44 178.22 2k36 h GLY 113 N 2.38 0.36 0.05 1.49 0.00 -1.20 0.12 103.07 106.27 2k36 h GLY 113 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.12 2k36 h GLY 113 CO 0.00 0.21 -0.47 -0.97 0.00 0.00 0.00 176.54 175.31 2k36 h TYR 114 N 0.15 -1.38 -0.33 5.60 0.05 -1.75 -3.03 116.97 116.28 2k36 h TYR 114 Ca 0.06 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2k36 h TYR 114 Cb 0.28 0.60 0.00 0.00 1.01 0.00 0.00 36.73 38.61 2k36 h TYR 114 CO 0.01 -0.52 0.00 0.36 -1.05 0.00 0.00 178.16 176.96 2k36 n LYS 115 N -5.12 2.77 -2.66 4.88 2.85 -1.25 -4.89 118.16 114.74 2k36 n LYS 115 Ca -0.07 -2.00 -0.06 0.00 -1.05 0.00 0.00 58.31 55.13 2k36 n LYS 115 Cb 0.36 -1.26 0.01 0.00 -0.65 0.00 0.00 35.03 33.48 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 0.50 -1.85 -3.69 -1.58 4.01 -0.22 -5.03 118.16 110.30 2k36 n LYS 116 Ca 0.11 1.78 -0.25 0.00 -0.51 0.00 0.00 58.31 59.44 2k36 n LYS 116 Cb 0.42 -5.02 -0.02 0.00 -0.51 0.00 0.00 35.03 29.90 2k36 n LYS 116 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2k36 s ILE 117 N -2.45 5.20 0.12 -0.18 1.01 0.26 -4.98 121.20 120.17 2k36 s ILE 117 Ca 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.25 2k36 s ILE 117 Cb -0.05 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2k36 s ILE 117 CO 0.64 -0.31 0.00 -1.54 0.00 0.00 0.00 174.94 173.73 2k36 n SER 118 N -1.15 -3.84 0.00 3.58 3.41 -1.24 -4.79 113.62 109.60 2k36 n SER 118 Ca -0.06 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2k36 n SER 118 Cb 0.55 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2k36 n SER 118 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2k36 n GLU 119 N -0.41 0.00 -2.28 4.33 2.13 -1.26 -4.84 120.64 118.30 2k36 n GLU 119 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 2k36 n GLU 119 Cb 0.00 -0.80 0.00 0.00 0.27 0.00 0.00 31.44 30.91 2k36 n GLU 119 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2k36 n SER 120 N -2.32 4.58 -4.42 4.31 2.88 -1.26 -4.92 113.62 112.47 2k36 n SER 120 Ca 0.00 -2.91 -0.44 0.00 -1.33 0.00 0.00 58.87 54.19 2k36 n SER 120 Cb 0.37 -1.68 -0.05 0.00 -0.75 0.00 0.00 64.21 62.09 2k36 n SER 120 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2k36 s ARG 121 N 3.38 3.10 -0.09 -1.46 0.52 -1.26 -4.62 118.95 118.52 2k36 s ARG 121 Ca 0.50 -1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 2k36 s ARG 121 Cb 0.08 -4.18 -0.03 0.00 0.52 0.00 0.00 34.95 31.33 2k36 s ARG 121 CO 0.01 -1.43 1.27 -0.06 0.02 0.00 0.00 175.30 175.11 2k36 s PHE 122 N 2.84 2.98 -0.44 -0.53 0.08 -1.26 -4.86 117.98 116.78 2k36 s PHE 122 Ca 0.15 1.05 0.16 0.00 0.12 0.00 0.00 56.93 58.41 2k36 s PHE 122 Cb -0.21 -3.50 -0.21 0.00 -0.57 0.00 0.00 43.02 38.53 2k36 s PHE 122 CO 0.10 -1.71 0.55 0.94 -0.10 0.00 0.00 175.22 174.99 2k36 n GLN 123 N 5.79 1.18 -1.54 0.44 7.27 -1.26 -4.63 117.38 124.63 2k36 n GLN 123 Ca 0.13 -0.07 -0.42 0.00 0.07 0.00 0.00 57.00 56.71 2k36 n GLN 123 Cb 0.45 -1.32 -0.05 0.00 2.41 0.00 0.00 30.24 31.74 2k36 n GLN 123 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2k36 n SER 124 N -1.68 2.53 -1.65 1.69 2.88 -1.26 -0.78 113.62 115.35 2k36 n SER 124 Ca 0.00 -0.01 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2k36 n SER 124 Cb 0.33 -1.47 -0.05 0.00 -0.75 0.00 0.00 64.21 62.27 2k36 n SER 124 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k36 n LEU 125 N 12.75 -1.52 -1.30 2.46 4.77 -1.26 -4.83 117.00 128.08 2k36 n LEU 125 Ca 0.37 0.26 0.01 0.00 -0.03 0.00 0.00 56.01 56.62 2k36 n LEU 125 Cb 0.41 -2.56 0.00 0.00 -2.33 0.00 0.00 43.42 38.94 2k36 n LEU 125 CO 0.71 -0.63 0.14 0.61 -1.33 0.00 0.00 177.39 176.89 2k36 n GLY 126 N -0.87 0.86 3.77 -0.72 0.00 0.04 -4.98 105.19 103.29 2k36 n GLY 126 Ca -0.19 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.67 6.47 0.11 1.61 3.84 -1.08 -4.72 114.94 119.50 2k36 s ASN 127 Ca 0.24 2.42 -0.33 0.00 0.21 0.00 0.00 52.86 55.40 2k36 s ASN 127 Cb 0.27 -2.62 -0.13 0.00 -0.55 0.00 0.00 41.25 38.22 2k36 s ASN 127 CO -0.12 -0.72 1.54 0.40 -2.79 0.00 0.00 177.10 175.41 2k36 h ILE 128 N 2.35 0.00 0.00 -5.21 2.04 -1.97 -1.38 117.51 113.35 2k36 h ILE 128 Ca -0.49 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 2k36 h ILE 128 Cb 1.24 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2k36 h ILE 128 CO 0.62 0.00 -0.22 0.71 0.00 0.00 0.00 178.15 179.27 2k36 h THR 129 N -0.59 0.58 0.00 -0.27 1.35 -1.91 -2.80 112.91 109.27 2k36 h THR 129 Ca 0.03 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2k36 h THR 129 Cb 0.67 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2k36 h THR 129 CO -0.41 0.21 0.00 0.47 -0.25 0.00 0.00 175.52 175.54 2k36 n ASP 130 N -3.45 0.00 0.02 5.36 9.92 -0.57 -2.64 116.55 125.19 2k36 n ASP 130 Ca -0.00 -0.37 0.14 0.00 -0.53 0.00 0.00 54.79 54.02 2k36 n ASP 130 Cb 0.40 -0.20 0.53 0.00 -0.64 0.00 0.00 41.12 41.21 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 -1.20 0.22 0.00 0.64 0.00 -0.88 -4.85 117.00 110.92 2k36 n LEU 131 Ca 0.17 0.46 -0.15 0.00 0.00 0.00 0.00 56.01 56.49 2k36 n LEU 131 Cb 0.20 -0.44 -0.06 0.00 0.00 0.00 0.00 43.42 43.12 2k36 n LEU 131 CO 0.21 -0.02 -0.07 1.15 0.00 0.00 0.00 177.39 178.65 2k36 n MET 132 N -1.66 0.31 -4.16 1.96 0.00 -1.08 -4.89 117.12 107.60 2k36 n MET 132 Ca 0.06 -2.54 -0.15 0.00 0.00 0.00 0.00 57.70 55.08 2k36 n MET 132 Cb 0.36 2.09 -0.11 0.00 0.00 0.00 0.00 33.22 35.56 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 -3.03 0.92 0.49 3.17 -4.23 -1.26 -4.96 115.64 106.74 2k36 s THR 133 Ca 0.30 -1.54 0.30 0.00 -1.18 0.00 0.00 61.69 59.58 2k36 s THR 133 Cb 0.01 -1.25 0.50 0.00 1.34 0.00 0.00 72.50 73.10 2k36 s THR 133 CO 0.22 -0.50 1.79 -0.78 -0.54 0.00 0.00 174.62 174.81 2k36 h ASP 134 N 3.75 0.15 0.24 3.99 1.82 -1.98 0.67 116.42 125.06 2k36 h ASP 134 Ca -0.38 0.03 -0.11 0.00 -0.39 0.00 0.00 57.03 56.18 2k36 h ASP 134 Cb 1.19 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 2k36 h ASP 134 CO 0.50 0.02 -0.43 -0.78 -1.61 0.00 0.00 179.24 176.94 2k36 h ASP 135 N 0.13 0.26 0.94 2.28 3.58 -2.01 -2.84 116.42 118.76 2k36 h ASP 135 Ca 0.58 -0.11 -0.18 0.00 0.42 0.00 0.00 57.03 57.73 2k36 h ASP 135 Cb 2.01 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.97 2k36 h ASP 135 CO -0.12 0.66 -0.88 -1.13 -2.88 0.00 0.00 179.24 174.90 2k36 h ASN 136 N 0.20 0.00 -0.94 2.28 -0.73 -0.14 -2.73 115.58 113.53 2k36 h ASN 136 Ca 0.02 0.00 0.07 0.00 1.87 0.00 0.00 56.30 58.25 2k36 h ASN 136 Cb 0.85 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.38 2k36 h ASN 136 CO 0.07 0.88 0.61 0.40 -0.37 0.00 0.00 177.43 179.01 2k36 h ILE 137 N 0.00 1.06 -0.41 2.57 5.03 -0.75 0.27 117.51 125.29 2k36 h ILE 137 Ca -0.01 -0.37 -0.06 0.00 -0.12 0.00 0.00 64.86 64.31 2k36 h ILE 137 Cb 1.59 -0.09 -0.01 0.00 -3.03 0.00 0.00 36.82 35.27 2k36 h ILE 137 CO 0.11 0.19 0.02 0.78 -0.68 0.00 0.00 178.15 178.58 2k36 h ASN 138 N 1.06 0.68 -0.73 1.72 2.35 -1.46 0.79 115.58 120.00 2k36 h ASN 138 Ca 0.41 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2k36 h ASN 138 Cb 0.21 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 2k36 h ASN 138 CO -0.16 0.81 0.37 0.40 -1.65 0.00 0.00 177.43 177.21 2k36 h ILE 139 N 0.54 1.23 0.13 2.81 5.03 -1.20 -1.64 117.51 124.41 2k36 h ILE 139 Ca 0.12 -0.62 -0.01 0.00 -0.12 0.00 0.00 64.86 64.23 2k36 h ILE 139 Cb 0.45 0.30 0.00 0.00 -3.03 0.00 0.00 36.82 34.53 2k36 h ILE 139 CO 0.02 0.27 -0.06 0.25 -0.68 0.00 0.00 178.15 177.94 2k36 h LEU 140 N 1.02 -0.14 -0.68 1.44 7.12 -0.20 0.45 115.31 124.32 2k36 h LEU 140 Ca 0.25 -0.16 0.13 0.00 0.13 0.00 0.00 57.88 58.23 2k36 h LEU 140 Cb 0.08 0.04 -0.09 0.00 -0.53 0.00 0.00 40.66 40.15 2k36 h LEU 140 CO -0.04 0.08 0.19 0.40 -0.13 0.00 0.00 178.44 178.95 2k36 h ILE 141 N -0.37 0.61 -0.06 4.05 1.08 -0.71 -0.41 117.51 121.70 2k36 h ILE 141 Ca -0.02 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 2k36 h ILE 141 Cb 0.30 0.27 -0.00 0.00 -3.07 0.00 0.00 36.82 34.32 2k36 h ILE 141 CO 0.03 0.06 0.00 -0.07 -0.69 0.00 0.00 178.15 177.48 2k36 h LEU 142 N 0.32 0.10 -0.48 1.44 4.07 -0.78 0.52 115.31 120.49 2k36 h LEU 142 Ca 0.37 -0.29 0.06 0.00 0.08 0.00 0.00 57.88 58.10 2k36 h LEU 142 Cb 0.57 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.24 2k36 h LEU 142 CO -0.43 0.36 0.19 0.15 -1.08 0.00 0.00 178.44 177.63 2k36 h PHE 143 N -0.16 0.34 -0.20 1.13 3.57 0.35 -2.29 116.94 119.68 2k36 h PHE 143 Ca 0.02 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2k36 h PHE 143 Cb 0.31 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2k36 h PHE 143 CO 0.02 0.13 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.08 2k36 h LEU 144 N 0.38 0.43 -1.99 0.59 3.38 -0.93 -3.10 115.31 114.07 2k36 h LEU 144 Ca 0.23 -0.40 0.08 0.00 0.09 0.00 0.00 57.88 57.88 2k36 h LEU 144 Cb 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2k36 h LEU 144 CO -0.21 0.73 0.41 -0.33 0.09 0.00 0.00 178.44 179.13 2k36 h GLU 145 N 0.12 0.00 -1.03 1.13 5.08 0.60 1.20 114.58 121.68 2k36 h GLU 145 Ca 0.05 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.68 2k36 h GLU 145 Cb 0.57 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.70 2k36 h GLU 145 CO 0.03 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 -1.38 -2.96 116.57 116.82 2k36 h LYS 146 Ca 0.14 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2k36 h LYS 146 Cb 0.95 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2k36 h LYS 146 CO -0.00 0.31 -0.59 1.63 -1.08 0.00 0.00 179.45 179.72 2k36 n LYS 147 N -4.83 2.95 -2.71 3.15 5.02 0.20 -5.05 118.16 116.88 2k36 n LYS 147 Ca 0.28 -0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.35 2k36 n LYS 147 Cb 0.84 -0.80 0.08 0.00 -0.02 0.00 0.00 35.03 35.13 2k36 n LYS 147 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k36 s LEU 148 N -2.59 3.11 0.00 -0.35 2.01 0.36 -5.04 118.68 116.18 2k36 s LEU 148 Ca -0.00 -0.37 0.00 0.00 0.01 0.00 0.00 54.13 53.77 2k36 s LEU 148 Cb 0.00 -2.18 0.00 0.00 0.01 0.00 0.00 46.19 44.02 2k36 s LEU 148 CO 0.01 -1.52 0.00 -3.20 1.01 0.00 0.00 176.35 172.65