#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 3.50 0.23 -5.12 0.00 -1.26 -5.07 121.76 114.04 2k36 s ALA 2 Ca 0.00 -2.43 -0.11 0.00 0.00 0.00 0.00 51.96 49.42 2k36 s ALA 2 Cb 0.00 -3.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 2k36 s ALA 2 CO 0.00 -1.89 0.57 0.95 0.00 0.00 0.00 175.76 175.40 2k36 s THR 3 N 1.50 4.89 -0.47 0.00 -4.23 -1.26 -4.59 115.64 111.48 2k36 s THR 3 Ca 0.04 0.58 -0.18 0.00 -1.18 0.00 0.00 61.69 60.95 2k36 s THR 3 Cb -0.27 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 69.96 2k36 s THR 3 CO 0.02 -0.05 0.62 1.17 -0.54 0.00 0.00 174.62 175.85 2k36 n LYS 4 N -0.05 -2.18 -0.92 3.99 4.81 -1.26 -4.86 118.16 117.69 2k36 n LYS 4 Ca 0.00 1.91 -0.15 0.00 -0.87 0.00 0.00 58.31 59.20 2k36 n LYS 4 Cb 0.52 -4.96 0.00 0.00 0.02 0.00 0.00 35.03 30.61 2k36 n LYS 4 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k36 n LEU 5 N -0.48 6.16 -3.13 3.14 4.77 -1.26 -4.50 117.00 121.70 2k36 n LEU 5 Ca 0.06 -3.24 -0.18 0.00 -0.03 0.00 0.00 56.01 52.62 2k36 n LEU 5 Cb 0.51 -1.13 -0.05 0.00 -2.33 0.00 0.00 43.42 40.42 2k36 n LEU 5 CO 0.50 1.30 -0.15 -0.90 -1.33 0.00 0.00 177.39 176.81 2k36 n ASP 6 N 0.82 -1.44 0.11 -1.43 5.75 -1.26 -4.87 116.55 114.23 2k36 n ASP 6 Ca 0.28 -2.65 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 2k36 n ASP 6 Cb 0.58 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.96 2k36 n ASP 6 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k36 n TYR 7 N 2.55 -2.06 0.00 2.11 4.11 -1.26 -4.73 117.16 117.89 2k36 n TYR 7 Ca 0.24 0.39 0.00 0.00 -0.00 0.00 0.00 57.90 58.52 2k36 n TYR 7 Cb 0.52 0.68 0.00 0.00 -0.00 0.00 0.00 39.34 40.55 2k36 n TYR 7 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2k36 n GLU 8 N -3.24 0.00 -2.76 -3.48 1.02 -1.26 -4.68 120.64 106.24 2k36 n GLU 8 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 2k36 n GLU 8 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 -0.79 -3.89 -4.46 1.62 9.92 -1.26 -4.78 116.55 112.92 2k36 n ASP 9 Ca 0.00 -0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.95 2k36 n ASP 9 Cb 0.00 -3.27 -0.06 0.00 -0.64 0.00 0.00 41.12 37.15 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 -2.70 2.13 -0.14 2.24 0.00 -1.26 -4.68 120.51 116.11 2k36 n ALA 10 Ca -0.10 -3.11 -0.10 0.00 0.00 0.00 0.00 53.44 50.13 2k36 n ALA 10 Cb 0.59 -3.51 -0.01 0.00 0.00 0.00 0.00 19.45 16.52 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 5.89 1.24 -3.28 0.00 3.04 -2.02 -3.45 116.25 117.67 2k36 h VAL 11 Ca 0.26 -0.85 -0.58 0.00 -1.01 0.00 0.00 66.70 64.52 2k36 h VAL 11 Cb 0.90 1.03 0.16 0.00 -2.01 0.00 0.00 31.29 31.37 2k36 h VAL 11 CO 1.34 0.29 -0.07 2.22 -1.01 0.00 0.00 177.57 180.34 2k36 n PHE 12 N -4.53 0.28 -0.04 3.17 1.16 -1.26 -4.97 117.46 111.27 2k36 n PHE 12 Ca -0.01 0.45 -0.09 0.00 -1.87 0.00 0.00 57.45 55.93 2k36 n PHE 12 Cb 0.23 -2.08 -0.03 0.00 -1.61 0.00 0.00 39.48 35.99 2k36 n PHE 12 CO 0.00 0.00 0.00 0.98 -1.87 0.00 0.00 176.76 175.87 2k36 n TYR 13 N -1.59 0.00 0.70 2.97 9.36 -1.26 -4.59 117.16 122.75 2k36 n TYR 13 Ca 0.13 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.42 2k36 n TYR 13 Cb 0.46 -0.34 0.38 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 -3.62 0.00 -0.28 2.98 3.72 -1.26 -2.19 117.46 116.81 2k36 n PHE 14 Ca -0.17 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.31 2k36 n PHE 14 Cb 0.52 -0.35 0.20 0.00 -0.94 0.00 0.00 39.48 38.91 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 0.27 -0.11 -4.37 3.04 -1.96 -2.38 116.25 110.74 2k36 h VAL 15 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2k36 h VAL 15 Cb 0.18 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 29.63 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 2.91 -0.23 3.17 2.03 -0.93 0.61 116.55 118.74 2k36 n ASP 16 Ca 0.16 -2.93 0.14 0.00 0.52 0.00 0.00 54.79 52.68 2k36 n ASP 16 Cb 0.55 -0.43 0.43 0.00 -0.72 0.00 0.00 41.12 40.95 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 0.75 0.54 0.00 1.67 3.58 -1.37 -3.39 116.42 118.20 2k36 h ASP 17 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2k36 h ASP 17 Cb 1.11 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2k36 h ASP 17 CO 0.08 0.27 0.00 -0.67 -2.88 0.00 0.00 179.24 176.04 2k36 n ASP 18 N -4.53 0.00 -4.64 2.28 -0.08 -1.26 -4.86 116.55 103.45 2k36 n ASP 18 Ca 0.17 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.16 2k36 n ASP 18 Cb 0.51 -0.01 -0.10 0.00 2.34 0.00 0.00 41.12 43.86 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 2.00 0.11 -0.67 -2.85 -1.26 -4.26 119.74 112.81 2k36 s LYS 19 Ca 0.00 -2.13 -0.25 0.00 -1.00 0.00 0.00 55.97 52.59 2k36 s LYS 19 Cb 0.00 -1.65 -0.07 0.00 -2.06 0.00 0.00 37.83 34.05 2k36 s LYS 19 CO 0.00 -0.09 0.76 -1.50 0.10 0.00 0.00 175.35 174.62 2k36 s ILE 20 N -2.72 4.53 0.00 3.79 1.10 -1.26 -4.73 121.20 121.91 2k36 s ILE 20 Ca 0.32 1.65 0.00 0.00 -0.51 0.00 0.00 60.65 62.11 2k36 s ILE 20 Cb 0.09 -4.12 0.00 0.00 0.15 0.00 0.00 42.46 38.58 2k36 s ILE 20 CO 0.17 0.46 0.00 0.00 -2.11 0.00 0.00 174.94 173.46 2k36 s SER 22 N 0.03 4.13 0.29 0.00 0.15 -1.26 -4.89 113.70 112.15 2k36 s SER 22 Ca 0.00 1.94 0.02 0.00 0.70 0.00 0.00 55.95 58.61 2k36 s SER 22 Cb 0.00 -2.54 0.58 0.00 -1.71 0.00 0.00 66.02 62.35 2k36 s SER 22 CO 0.00 -2.29 1.85 0.03 1.20 0.00 0.00 173.24 174.03 2k36 h ARG 23 N -1.24 0.94 0.00 5.44 3.08 -1.99 -0.60 114.38 120.01 2k36 h ARG 23 Ca -0.44 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2k36 h ARG 23 Cb 1.24 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2k36 h ARG 23 CO 0.49 0.62 0.00 -3.47 -1.07 0.00 0.00 179.97 176.54 2k36 n ASP 24 N -4.59 0.00 -0.00 7.04 2.03 -1.26 -2.18 116.55 117.59 2k36 n ASP 24 Ca 0.18 0.33 0.10 0.00 0.52 0.00 0.00 54.79 55.92 2k36 n ASP 24 Cb 0.34 -0.42 -0.12 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.42 0.86 -0.04 1.67 2.88 -0.24 -3.49 113.62 113.85 2k36 n SER 25 Ca 0.05 -0.85 0.12 0.00 -1.33 0.00 0.00 58.87 56.86 2k36 n SER 25 Cb 0.16 1.13 0.19 0.00 -0.75 0.00 0.00 64.21 64.93 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 -1.58 0.00 0.10 2.46 2.08 -0.93 -2.85 119.36 118.65 2k36 n ILE 26 Ca 0.03 -0.02 -0.11 0.00 0.56 0.00 0.00 62.75 63.20 2k36 n ILE 26 Cb 0.35 0.42 -0.08 0.00 -0.75 0.00 0.00 39.64 39.58 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 0.19 0.73 0.00 1.39 1.08 -1.59 -2.34 117.51 116.97 2k36 h ILE 27 Ca 0.00 -0.90 -0.09 0.00 -0.39 0.00 0.00 64.86 63.48 2k36 h ILE 27 Cb 0.51 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 2k36 h ILE 27 CO 0.00 0.17 -0.43 -0.78 -0.69 0.00 0.00 178.15 176.42 2k36 h ASP 28 N -0.84 0.00 -0.05 1.72 1.82 -1.70 -3.27 116.42 114.10 2k36 h ASP 28 Ca -0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2k36 h ASP 28 Cb 0.51 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.52 2k36 h ASP 28 CO 0.05 0.43 0.01 0.25 -1.61 0.00 0.00 179.24 178.38 2k36 h LEU 29 N 0.00 0.07 -2.18 2.28 5.85 -1.48 0.12 115.31 119.97 2k36 h LEU 29 Ca -0.00 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2k36 h LEU 29 Cb 0.88 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 2k36 h LEU 29 CO 0.06 0.26 0.02 0.40 -0.34 0.00 0.00 178.44 178.83 2k36 h ILE 30 N -0.12 0.80 -0.01 4.05 1.08 -1.47 0.55 117.51 122.40 2k36 h ILE 30 Ca 0.02 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.35 2k36 h ILE 30 Cb 0.21 0.99 0.01 0.00 -3.07 0.00 0.00 36.82 34.96 2k36 h ILE 30 CO -0.00 0.00 -0.52 -0.78 -0.69 0.00 0.00 178.15 176.16 2k36 h ASP 31 N 0.00 0.47 0.01 1.72 3.58 -1.42 -3.06 116.42 117.71 2k36 h ASP 31 Ca 0.01 -0.75 0.00 0.00 0.42 0.00 0.00 57.03 56.71 2k36 h ASP 31 Cb 0.04 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 2k36 h ASP 31 CO -0.00 1.16 -0.02 -0.33 -2.88 0.00 0.00 179.24 177.17 2k36 h GLU 32 N -0.18 -0.04 0.64 0.28 5.08 0.60 -3.13 114.58 117.83 2k36 h GLU 32 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2k36 h GLU 32 Cb 1.23 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.50 2k36 h GLU 32 CO 0.10 -0.03 -0.31 -0.92 -1.00 0.00 0.00 179.01 176.85 2k36 h TYR 33 N -0.05 -0.80 -0.83 4.33 3.20 -0.01 0.52 116.97 123.34 2k36 h TYR 33 Ca 0.01 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.01 2k36 h TYR 33 Cb 0.06 0.26 -0.10 0.00 1.54 0.00 0.00 36.73 38.49 2k36 h TYR 33 CO -0.10 -0.45 0.41 0.82 -1.64 0.00 0.00 178.16 177.20 2k36 h ILE 34 N -1.09 0.70 -0.21 1.81 1.08 -1.69 0.24 117.51 118.34 2k36 h ILE 34 Ca -0.09 -0.20 -0.09 0.00 -0.39 0.00 0.00 64.86 64.10 2k36 h ILE 34 Cb 0.70 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 2k36 h ILE 34 CO 0.14 0.10 -0.26 0.74 -0.69 0.00 0.00 178.15 178.19 2k36 h THR 35 N 0.57 1.26 -0.31 -0.27 2.02 -1.43 -2.95 112.91 111.81 2k36 h THR 35 Ca 0.46 -1.24 -0.09 0.00 0.77 0.00 0.00 66.41 66.31 2k36 h THR 35 Cb 0.68 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 2k36 h THR 35 CO -0.38 0.39 -0.14 -0.25 0.37 0.00 0.00 175.52 175.50 2k36 h TRP 36 N 0.36 0.73 -0.65 3.16 7.01 0.30 0.28 115.95 127.14 2k36 h TRP 36 Ca 0.05 -0.18 0.12 0.00 2.11 0.00 0.00 58.89 60.99 2k36 h TRP 36 Cb 0.65 -0.17 -0.08 0.00 -2.10 0.00 0.00 29.16 27.46 2k36 h TRP 36 CO 0.02 0.86 0.22 0.00 -2.79 0.00 0.00 178.44 176.75 2k36 h ARG 37 N 0.39 0.36 -0.05 2.65 2.47 -0.64 0.58 114.38 120.14 2k36 h ARG 37 Ca 0.07 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2k36 h ARG 37 Cb 0.67 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2k36 h ARG 37 CO 0.04 0.24 0.03 -0.97 0.56 0.00 0.00 179.97 179.87 2k36 h ASN 38 N 0.37 0.06 -0.97 7.04 -0.73 -1.31 -2.91 115.58 117.13 2k36 h ASN 38 Ca 0.35 -0.03 0.21 0.00 1.87 0.00 0.00 56.30 58.69 2k36 h ASN 38 Cb 0.49 -0.01 -0.09 0.00 0.27 0.00 0.00 38.32 38.98 2k36 h ASN 38 CO -0.37 0.08 0.62 -0.74 -0.37 0.00 0.00 177.43 176.64 2k36 h HIS 39 N 0.03 0.78 0.00 0.67 2.76 0.13 0.30 115.15 119.82 2k36 h HIS 39 Ca 0.02 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 2k36 h HIS 39 Cb 0.03 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 2k36 h HIS 39 CO -0.06 0.17 -0.19 0.28 -1.30 0.00 0.00 177.93 176.82 2k36 h VAL 40 N 0.55 0.68 0.00 5.26 2.07 -0.76 -2.75 116.25 121.31 2k36 h VAL 40 Ca 0.54 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2k36 h VAL 40 Cb 1.13 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2k36 h VAL 40 CO -0.28 0.19 -0.32 0.40 0.02 0.00 0.00 177.57 177.57 2k36 h ILE 41 N 0.00 0.00 -0.46 4.57 1.08 -0.44 0.18 117.51 122.44 2k36 h ILE 41 Ca -0.00 -0.71 0.09 0.00 -0.39 0.00 0.00 64.86 63.84 2k36 h ILE 41 Cb 0.50 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.17 2k36 h ILE 41 CO 0.02 0.00 0.02 0.58 -0.69 0.00 0.00 178.15 178.08 2k36 h VAL 42 N -0.71 0.66 -0.00 1.67 2.07 -1.37 -0.44 116.25 118.12 2k36 h VAL 42 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2k36 h VAL 42 Cb 0.32 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2k36 h VAL 42 CO 0.00 0.02 -0.29 0.49 0.02 0.00 0.00 177.57 177.81 2k36 n PHE 43 N -5.20 0.00 -3.82 1.57 3.01 -1.04 -4.86 117.46 107.13 2k36 n PHE 43 Ca 0.04 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.20 2k36 n PHE 43 Cb 0.24 -0.31 0.02 0.00 -0.01 0.00 0.00 39.48 39.42 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 -3.17 -0.91 4.37 2.85 -0.17 -4.07 115.26 112.76 2k36 n ASN 44 Ca 0.07 -1.03 0.00 0.00 -0.11 0.00 0.00 54.58 53.51 2k36 n ASN 44 Cb 0.33 -3.14 0.00 0.00 1.24 0.00 0.00 39.78 38.21 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 -4.34 3.67 -4.23 1.20 5.02 0.59 -4.96 118.16 115.11 2k36 n LYS 45 Ca -0.18 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.92 2k36 n LYS 45 Cb 0.63 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.49 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 -1.00 0.87 0.20 4.39 1.01 -1.26 -4.91 116.67 115.96 2k36 s ASP 46 Ca 0.00 -0.13 0.05 0.00 0.71 0.00 0.00 52.55 53.19 2k36 s ASP 46 Cb 0.00 -0.24 0.10 0.00 1.01 0.00 0.00 42.92 43.79 2k36 s ASP 46 CO 0.00 0.03 1.45 -0.29 0.21 0.00 0.00 175.17 176.58 2k36 h ILE 47 N 5.44 1.50 0.00 0.77 6.09 -1.98 -2.96 117.51 126.36 2k36 h ILE 47 Ca -0.33 -2.50 0.00 0.00 -1.37 0.00 0.00 64.86 60.66 2k36 h ILE 47 Cb 1.17 2.36 0.00 0.00 0.47 0.00 0.00 36.82 40.82 2k36 h ILE 47 CO 0.49 0.72 0.00 0.71 -3.07 0.00 0.00 178.15 177.00 2k36 h THR 48 N 0.08 0.00 -1.43 2.19 1.35 -2.02 -3.37 112.91 109.71 2k36 h THR 48 Ca -0.02 -0.69 -0.69 0.00 -0.55 0.00 0.00 66.41 64.46 2k36 h THR 48 Cb 1.37 1.68 -0.12 0.00 -1.73 0.00 0.00 68.15 69.35 2k36 h THR 48 CO 0.11 0.00 1.74 -0.55 -0.25 0.00 0.00 175.52 176.58 2k36 s SER 49 N -5.80 6.86 0.00 5.36 0.15 -1.12 -4.79 113.70 114.36 2k36 s SER 49 Ca 0.04 -2.48 0.00 0.00 0.70 0.00 0.00 55.95 54.21 2k36 s SER 49 Cb 0.08 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2k36 s SER 49 CO 0.59 -1.06 0.00 0.00 1.20 0.00 0.00 173.24 173.96 2k36 n GLY 51 N 0.00 2.96 0.22 0.00 0.00 0.20 -4.76 105.19 103.81 2k36 n GLY 51 Ca 0.00 -2.21 -0.14 0.00 0.00 0.00 0.00 46.02 43.67 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 0.73 -0.43 1.61 3.08 -1.83 -3.02 114.38 114.53 2k36 h ARG 52 Ca -0.11 -0.41 0.09 0.00 0.07 0.00 0.00 59.98 59.61 2k36 h ARG 52 Cb 0.40 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 2k36 h ARG 52 CO 0.17 1.04 -0.10 1.25 -1.07 0.00 0.00 179.97 181.25 2k36 h LEU 53 N 0.48 -0.39 -0.77 3.04 6.46 -1.85 -2.44 115.31 119.83 2k36 h LEU 53 Ca 0.04 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2k36 h LEU 53 Cb 0.94 0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 41.09 2k36 h LEU 53 CO 0.08 -0.14 0.50 1.88 -0.62 0.00 0.00 178.44 180.14 2k36 h TYR 54 N 0.00 0.98 -1.02 1.25 -1.99 -1.74 -2.65 116.97 111.80 2k36 h TYR 54 Ca 0.21 0.02 0.26 0.00 2.00 0.00 0.00 58.73 61.21 2k36 h TYR 54 Cb 0.31 -0.33 -0.12 0.00 2.00 0.00 0.00 36.73 38.60 2k36 h TYR 54 CO -0.37 0.63 0.61 0.87 -0.00 0.00 0.00 178.16 179.90 2k36 h LYS 55 N 1.05 0.50 -0.13 4.88 1.79 -1.38 0.25 116.57 123.53 2k36 h LYS 55 Ca 0.28 -0.03 -0.16 0.00 -2.18 0.00 0.00 60.65 58.56 2k36 h LYS 55 Cb -0.10 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.43 2k36 h LYS 55 CO -0.06 0.33 -0.58 0.93 -1.08 0.00 0.00 179.45 179.00 2k36 h GLU 56 N 0.52 0.42 -0.98 3.15 3.07 -1.51 -1.49 114.58 117.75 2k36 h GLU 56 Ca 0.64 -0.28 0.08 0.00 -0.50 0.00 0.00 59.36 59.31 2k36 h GLU 56 Cb 1.33 0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 29.21 2k36 h GLU 56 CO -0.44 0.88 0.63 -0.07 -1.40 0.00 0.00 179.01 178.60 2k36 h LEU 57 N 0.32 0.97 -0.38 1.33 -0.00 -0.98 -1.18 115.31 115.38 2k36 h LEU 57 Ca -0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 2k36 h LEU 57 Cb 1.11 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.57 2k36 h LEU 57 CO 0.10 0.59 0.17 0.24 -0.00 0.00 0.00 178.44 179.54 2k36 h MET 58 N 1.09 0.56 0.00 1.13 2.86 -0.80 0.57 114.93 120.33 2k36 h MET 58 Ca 0.45 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 2k36 h MET 58 Cb 0.28 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2k36 h MET 58 CO -0.21 0.52 0.49 0.87 1.06 0.00 0.00 176.91 179.64 2k36 h LYS 59 N 0.48 0.00 0.00 1.72 1.57 -0.21 1.14 116.57 121.26 2k36 h LYS 59 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2k36 h LYS 59 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2k36 h LYS 59 CO -0.01 0.00 -0.49 0.74 -0.57 0.00 0.00 179.45 179.11 2k36 h PHE 60 N 0.00 0.00 -0.27 -1.35 0.04 -0.30 -1.11 116.94 113.95 2k36 h PHE 60 Ca 0.00 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 2k36 h PHE 60 Cb 0.98 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.13 2k36 h PHE 60 CO 0.00 0.00 -0.52 0.22 -0.60 0.00 0.00 178.31 177.41 2k36 h ASP 61 N 0.00 0.84 -0.07 2.17 3.58 0.14 -2.50 116.42 120.57 2k36 h ASP 61 Ca 0.00 -0.43 -0.22 0.00 0.42 0.00 0.00 57.03 56.80 2k36 h ASP 61 Cb 0.95 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.77 2k36 h ASP 61 CO 0.00 1.20 -0.82 -0.78 -2.88 0.00 0.00 179.24 175.96 2k36 h ASP 62 N 0.59 0.84 -0.07 2.28 3.58 -1.29 0.18 116.42 122.54 2k36 h ASP 62 Ca 0.02 -0.69 -0.05 0.00 0.42 0.00 0.00 57.03 56.73 2k36 h ASP 62 Cb 1.09 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 2k36 h ASP 62 CO 0.11 1.40 -0.10 1.62 -2.88 0.00 0.00 179.24 179.40 2k36 h VAL 63 N 0.34 1.19 -0.09 2.25 3.04 -1.25 0.45 116.25 122.18 2k36 h VAL 63 Ca -0.08 -0.83 -0.10 0.00 -1.01 0.00 0.00 66.70 64.68 2k36 h VAL 63 Cb 1.47 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.88 2k36 h VAL 63 CO 0.16 0.27 -0.32 0.00 -1.01 0.00 0.00 177.57 176.67 2k36 h ALA 64 N 1.57 0.16 -0.76 3.17 0.00 -1.14 0.11 119.26 122.38 2k36 h ALA 64 Ca 0.07 -0.43 0.11 0.00 0.00 0.00 0.00 54.91 54.66 2k36 h ALA 64 Cb 0.39 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2k36 h ALA 64 CO 0.02 0.21 0.50 0.82 0.00 0.00 0.00 179.25 180.80 2k36 h ILE 65 N -0.08 0.90 -0.27 0.00 2.04 -0.10 0.56 117.51 120.55 2k36 h ILE 65 Ca -0.01 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 2k36 h ILE 65 Cb 0.95 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2k36 h ILE 65 CO 0.07 0.11 -0.15 -0.09 0.00 0.00 0.00 178.15 178.09 2k36 h ARG 66 N 0.60 0.59 0.00 2.37 9.65 0.05 -2.80 114.38 124.84 2k36 h ARG 66 Ca 0.36 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 2k36 h ARG 66 Cb 0.57 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 2k36 h ARG 66 CO -0.13 0.84 -0.00 -0.92 2.80 0.00 0.00 179.97 182.55 2k36 h TYR 67 N 0.32 0.00 -0.29 2.20 5.03 0.39 -3.40 116.97 121.22 2k36 h TYR 67 Ca 0.06 0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.20 2k36 h TYR 67 Cb 0.67 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.95 2k36 h TYR 67 CO 0.06 0.00 -0.49 1.88 -1.32 0.00 0.00 178.16 178.29 2k36 h TYR 68 N -0.01 0.98 0.00 -3.82 0.05 -0.15 -3.49 116.97 110.53 2k36 h TYR 68 Ca 0.00 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.45 2k36 h TYR 68 Cb 0.00 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.55 2k36 h TYR 68 CO -0.00 1.12 0.00 0.41 -1.05 0.00 0.00 178.16 178.64 2k36 n GLY 69 N 0.24 2.75 0.23 3.88 0.00 -0.80 -4.51 105.19 106.98 2k36 n GLY 69 Ca -0.03 -1.52 -0.05 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 1.05 -0.01 -0.61 6.09 -1.80 0.20 117.51 122.42 2k36 h ILE 70 Ca 0.00 -0.23 0.02 0.00 -1.37 0.00 0.00 64.86 63.28 2k36 h ILE 70 Cb 0.00 0.32 -0.03 0.00 0.47 0.00 0.00 36.82 37.58 2k36 h ILE 70 CO 0.00 0.12 -0.12 -0.78 -3.07 0.00 0.00 178.15 174.30 2k36 h ASP 71 N 0.67 -0.36 -0.40 2.19 3.58 -1.91 0.35 116.42 120.53 2k36 h ASP 71 Ca 0.24 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.74 2k36 h ASP 71 Cb 0.05 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2k36 h ASP 71 CO -0.11 -0.17 0.25 0.11 -2.88 0.00 0.00 179.24 176.43 2k36 h LYS 72 N -0.20 0.55 -0.39 0.28 1.57 -1.66 -1.44 116.57 115.27 2k36 h LYS 72 Ca 0.05 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2k36 h LYS 72 Cb 0.27 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2k36 h LYS 72 CO -0.13 0.40 0.19 0.82 -0.57 0.00 0.00 179.45 180.16 2k36 h ILE 73 N 0.53 0.97 -0.42 1.86 2.04 -0.11 0.35 117.51 122.74 2k36 h ILE 73 Ca 0.15 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.94 2k36 h ILE 73 Cb -0.01 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 2k36 h ILE 73 CO -0.03 0.07 0.04 0.78 0.00 0.00 0.00 178.15 179.02 2k36 h ASN 74 N 0.39 -0.08 -0.64 1.72 2.35 -0.02 0.63 115.58 119.93 2k36 h ASN 74 Ca 0.17 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 2k36 h ASN 74 Cb 0.08 0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 2k36 h ASN 74 CO -0.12 -0.01 0.25 -0.33 -1.65 0.00 0.00 177.43 175.57 2k36 h GLU 75 N 0.16 0.97 0.10 0.81 4.39 -0.47 -3.16 114.58 117.37 2k36 h GLU 75 Ca 0.20 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2k36 h GLU 75 Cb 0.27 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2k36 h GLU 75 CO -0.30 0.82 -0.05 0.82 -1.16 0.00 0.00 179.01 179.14 2k36 h ILE 76 N 0.91 1.10 -0.35 3.13 5.03 0.38 -2.85 117.51 124.86 2k36 h ILE 76 Ca 0.21 -1.32 0.07 0.00 -0.12 0.00 0.00 64.86 63.71 2k36 h ILE 76 Cb 0.22 1.86 -0.07 0.00 -3.03 0.00 0.00 36.82 35.80 2k36 h ILE 76 CO -0.02 0.29 -0.14 1.62 -0.68 0.00 0.00 178.15 179.23 2k36 h VAL 77 N -0.80 0.55 -0.38 1.67 3.04 0.17 0.81 116.25 121.31 2k36 h VAL 77 Ca -0.01 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.64 2k36 h VAL 77 Cb 0.58 0.55 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 2k36 h VAL 77 CO 0.02 0.00 0.10 -0.33 -1.01 0.00 0.00 177.57 176.35 2k36 h GLU 78 N -0.07 0.55 -0.44 4.17 5.08 -1.67 -2.09 114.58 120.11 2k36 h GLU 78 Ca 0.17 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 2k36 h GLU 78 Cb 0.33 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2k36 h GLU 78 CO -0.40 0.51 -0.11 0.00 -1.00 0.00 0.00 179.01 178.01 2k36 h ALA 79 N 1.57 0.98 0.00 3.43 0.00 -0.82 -2.37 119.26 122.05 2k36 h ALA 79 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k36 h ALA 79 Cb 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k36 h ALA 79 CO -0.00 0.60 0.37 -1.33 0.00 0.00 0.00 179.25 178.89 2k36 n MET 80 N -4.16 0.06 0.22 0.00 2.81 0.11 0.21 117.12 116.36 2k36 n MET 80 Ca 0.01 0.49 0.08 0.00 -1.81 0.00 0.00 57.70 56.48 2k36 n MET 80 Cb 0.37 -2.07 0.52 0.00 -0.71 0.00 0.00 33.22 31.33 2k36 n MET 80 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2k36 h SER 81 N 0.00 0.00 1.33 7.83 4.64 -1.50 0.35 113.55 126.20 2k36 h SER 81 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k36 h SER 81 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2k36 h SER 81 CO 0.00 0.24 0.00 -0.33 -0.87 0.00 0.00 176.83 175.87 2k36 h GLU 82 N 0.00 0.00 -3.62 4.77 5.08 -0.45 -3.34 114.58 117.02 2k36 h GLU 82 Ca -0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 2k36 h GLU 82 Cb 0.54 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.80 2k36 h GLU 82 CO 0.03 0.00 -0.56 0.41 -1.00 0.00 0.00 179.01 177.89 2k36 n GLY 83 N 0.71 -0.51 2.75 -3.84 0.00 0.11 -4.94 105.19 99.47 2k36 n GLY 83 Ca 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.21 -3.23 0.10 1.61 2.03 -1.26 -5.03 116.55 108.55 2k36 n ASP 84 Ca -0.19 -3.02 0.00 0.00 0.52 0.00 0.00 54.79 52.09 2k36 n ASP 84 Cb 0.66 1.77 0.00 0.00 -0.72 0.00 0.00 41.12 42.83 2k36 n ASP 84 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2k36 n HIS 85 N 2.47 -2.40 -1.33 -0.67 8.25 -1.26 -5.01 115.22 115.27 2k36 n HIS 85 Ca 0.15 0.51 -0.33 0.00 -0.26 0.00 0.00 57.72 57.79 2k36 n HIS 85 Cb 0.59 1.38 0.10 0.00 1.12 0.00 0.00 29.99 33.17 2k36 n HIS 85 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2k36 s TYR 86 N -1.48 2.13 0.00 4.41 1.51 -1.26 -5.02 117.35 117.64 2k36 s TYR 86 Ca 0.00 1.62 0.00 0.00 -1.01 0.00 0.00 57.07 57.68 2k36 s TYR 86 Cb 0.00 -3.34 0.00 0.00 -0.11 0.00 0.00 41.96 38.51 2k36 s TYR 86 CO 0.00 -2.38 0.00 -0.89 -1.11 0.00 0.00 175.55 171.17 2k36 n ILE 87 N -3.06 0.00 0.11 2.71 -0.00 -1.26 -5.12 119.36 112.74 2k36 n ILE 87 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.87 2k36 n ILE 87 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.15 2k36 n ILE 87 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2k36 n ASN 88 N 0.00 -0.50 0.00 4.38 4.13 -1.26 -5.16 115.26 116.85 2k36 n ASN 88 Ca 0.00 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.63 2k36 n ASN 88 Cb 0.00 0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 2k36 n ASN 88 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2k36 n PHE 89 N -3.15 -0.31 -3.40 3.10 3.72 -1.26 -5.00 117.46 111.16 2k36 n PHE 89 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 2k36 n PHE 89 Cb 0.00 0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2k36 n PHE 89 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2k36 n THR 90 N 0.00 -7.09 -0.00 4.37 -2.24 -1.26 -4.99 114.28 103.07 2k36 n THR 90 Ca 0.00 -0.17 -0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2k36 n THR 90 Cb 0.00 -5.13 -0.00 0.00 -2.10 0.00 0.00 70.33 63.10 2k36 n THR 90 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2k36 h LYS 91 N 0.06 0.00 -0.42 -0.78 1.63 -2.01 -3.36 116.57 111.70 2k36 h LYS 91 Ca -0.30 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.58 2k36 h LYS 91 Cb 1.19 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 2k36 h LYS 91 CO 0.34 0.00 0.29 -0.39 -3.45 0.00 0.00 179.45 176.23 2k36 h VAL 92 N -0.05 0.91 -5.10 2.00 -1.51 -2.06 -3.47 116.25 106.96 2k36 h VAL 92 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 2k36 h VAL 92 Cb 0.01 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 2k36 h VAL 92 CO 0.00 0.04 -0.49 1.57 -1.23 0.00 0.00 177.57 177.47 2k36 n HIS 93 N -4.46 -3.26 -4.34 5.19 -0.00 -1.26 -5.06 115.22 102.02 2k36 n HIS 93 Ca 0.06 1.32 -0.19 0.00 -0.00 0.00 0.00 57.72 58.91 2k36 n HIS 93 Cb 0.32 -3.90 -0.10 0.00 -0.00 0.00 0.00 29.99 26.31 2k36 n HIS 93 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2k36 s ASP 94 N -2.44 2.63 0.32 0.26 1.01 -1.26 -5.01 116.67 112.18 2k36 s ASP 94 Ca 0.22 -0.97 0.10 0.00 0.71 0.00 0.00 52.55 52.61 2k36 s ASP 94 Cb -0.06 -0.15 0.94 0.00 1.01 0.00 0.00 42.92 44.66 2k36 s ASP 94 CO 0.71 -0.13 1.68 -0.61 0.21 0.00 0.00 175.17 177.04 2k36 h GLN 95 N 2.75 0.36 -0.82 8.23 4.15 -1.98 0.23 115.11 128.03 2k36 h GLN 95 Ca -0.39 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.07 2k36 h GLN 95 Cb 1.22 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.76 2k36 h GLN 95 CO 0.59 0.24 0.50 1.49 -1.93 0.00 0.00 178.83 179.72 2k36 h GLU 96 N 0.37 0.88 0.04 1.69 4.81 -1.99 0.73 114.58 121.11 2k36 h GLU 96 Ca 0.67 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.62 2k36 h GLU 96 Cb 1.41 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 2k36 h GLU 96 CO -0.58 0.58 -1.03 1.03 -0.73 0.00 0.00 179.01 178.29 2k36 h SER 97 N 0.90 0.17 -0.10 1.04 0.87 -1.04 -0.74 113.55 114.65 2k36 h SER 97 Ca 0.36 -0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.79 2k36 h SER 97 Cb 0.20 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 2k36 h SER 97 CO -0.18 1.08 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.99 2k36 h LEU 98 N 0.04 -0.43 -0.75 2.23 -0.00 0.12 0.36 115.31 116.88 2k36 h LEU 98 Ca -0.05 0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 57.87 2k36 h LEU 98 Cb 1.74 0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 42.57 2k36 h LEU 98 CO 0.15 -0.19 0.31 -0.26 -0.00 0.00 0.00 178.44 178.45 2k36 h PHE 99 N -0.19 1.14 -0.88 1.13 -1.00 -0.90 -2.96 116.94 113.29 2k36 h PHE 99 Ca 0.08 -0.08 0.07 0.00 2.81 0.00 0.00 57.97 60.85 2k36 h PHE 99 Cb 0.30 -0.34 -0.06 0.00 3.61 0.00 0.00 35.95 39.46 2k36 h PHE 99 CO -0.24 0.86 0.57 0.00 -1.61 0.00 0.00 178.31 177.89 2k36 h ALA 100 N 1.16 1.56 -0.43 2.45 0.00 -0.38 -1.03 119.26 122.58 2k36 h ALA 100 Ca 0.25 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2k36 h ALA 100 Cb 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2k36 h ALA 100 CO -0.02 0.30 0.28 1.15 0.00 0.00 0.00 179.25 180.96 2k36 h THR 101 N 0.97 1.10 0.12 0.00 2.02 -0.77 -1.49 112.91 114.86 2k36 h THR 101 Ca 0.38 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 2k36 h THR 101 Cb 0.24 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2k36 h THR 101 CO -0.15 0.10 -0.06 0.40 0.37 0.00 0.00 175.52 176.19 2k36 h ILE 102 N 0.56 1.07 -0.50 3.11 5.03 -1.27 -3.08 117.51 122.43 2k36 h ILE 102 Ca 0.16 -1.02 -0.06 0.00 -0.12 0.00 0.00 64.86 63.81 2k36 h ILE 102 Cb -0.04 1.68 -0.02 0.00 -3.03 0.00 0.00 36.82 35.41 2k36 h ILE 102 CO -0.04 0.23 0.07 1.23 -0.68 0.00 0.00 178.15 178.97 2k36 h GLY 103 N -0.67 0.91 0.66 5.37 0.00 -1.27 0.12 103.07 108.19 2k36 h GLY 103 Ca -0.02 -0.62 0.05 0.00 0.00 0.00 0.00 47.33 46.74 2k36 h GLY 103 CO 0.03 0.57 0.18 1.19 0.00 0.00 0.00 176.54 178.51 2k36 h ILE 104 N 0.72 0.90 0.00 2.60 6.09 -1.40 0.10 117.51 126.52 2k36 h ILE 104 Ca 0.15 -0.12 -0.06 0.00 -1.37 0.00 0.00 64.86 63.45 2k36 h ILE 104 Cb 0.42 0.50 -0.01 0.00 0.47 0.00 0.00 36.82 38.20 2k36 h ILE 104 CO 0.01 0.07 -0.31 0.00 -3.07 0.00 0.00 178.15 174.85 2k36 h ALA 106 N 1.69 0.47 -0.23 0.00 0.00 0.83 -2.70 119.26 119.32 2k36 h ALA 106 Ca -0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2k36 h ALA 106 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2k36 h ALA 106 CO 0.04 0.57 -0.14 -0.22 0.00 0.00 0.00 179.25 179.50 2k36 h LYS 107 N 0.59 0.38 0.21 0.00 1.63 -0.74 -2.52 116.57 116.12 2k36 h LYS 107 Ca 0.04 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2k36 h LYS 107 Cb 0.97 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 2k36 h LYS 107 CO 0.09 0.52 -0.10 0.82 -3.45 0.00 0.00 179.45 177.33 2k36 h ILE 108 N 0.35 0.88 -0.11 2.00 2.04 -1.46 -3.01 117.51 118.20 2k36 h ILE 108 Ca 0.07 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 2k36 h ILE 108 Cb 0.46 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2k36 h ILE 108 CO 0.03 0.14 -0.24 0.00 0.00 0.00 0.00 178.15 178.07 2k36 h THR 109 N -0.60 1.23 -0.01 -0.27 1.03 -1.28 -3.13 112.91 109.87 2k36 h THR 109 Ca -0.03 -1.05 -0.09 0.00 -0.01 0.00 0.00 66.41 65.23 2k36 h THR 109 Cb 0.44 1.41 0.01 0.00 -1.07 0.00 0.00 68.15 68.94 2k36 h THR 109 CO 0.05 0.32 -0.33 1.05 -0.01 0.00 0.00 175.52 176.59 2k36 h GLU 110 N 0.18 0.25 -0.85 0.00 4.11 -1.53 -3.33 114.58 113.42 2k36 h GLU 110 Ca 0.03 -0.25 0.16 0.00 0.07 0.00 0.00 59.36 59.37 2k36 h GLU 110 Cb 0.54 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 2k36 h GLU 110 CO 0.04 0.95 0.56 1.25 0.07 0.00 0.00 179.01 181.87 2k36 h HIS 111 N -0.35 0.63 0.00 2.06 2.76 -1.47 0.12 115.15 118.89 2k36 h HIS 111 Ca -0.04 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2k36 h HIS 111 Cb 1.05 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.82 2k36 h HIS 111 CO 0.16 0.21 0.08 -1.49 -1.30 0.00 0.00 177.93 175.59 2k36 h TRP 112 N 0.51 0.00 -0.25 5.26 6.55 -1.67 -3.22 115.95 123.14 2k36 h TRP 112 Ca 0.43 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 60.13 2k36 h TRP 112 Cb 0.90 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.19 2k36 h TRP 112 CO -0.00 0.00 -0.41 0.78 -1.05 0.00 0.00 178.44 177.76 2k36 h GLY 113 N 0.00 0.65 0.72 1.49 0.00 -0.96 0.85 103.07 105.81 2k36 h GLY 113 Ca 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 2k36 h GLY 113 CO 0.00 0.59 -0.41 -0.97 0.00 0.00 0.00 176.54 175.74 2k36 h TYR 114 N 0.49 -1.09 -0.28 5.60 0.05 -1.74 -3.26 116.97 116.74 2k36 h TYR 114 Ca 0.04 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2k36 h TYR 114 Cb 0.92 0.38 0.00 0.00 1.01 0.00 0.00 36.73 39.04 2k36 h TYR 114 CO 0.04 -0.63 0.00 0.36 -1.05 0.00 0.00 178.16 176.88 2k36 n LYS 115 N -5.04 2.86 -2.70 4.88 2.85 -1.25 -4.91 118.16 114.85 2k36 n LYS 115 Ca -0.13 -2.42 -0.01 0.00 -1.05 0.00 0.00 58.31 54.70 2k36 n LYS 115 Cb 0.43 -1.54 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 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 -0.06 -1.19 -3.50 -1.58 5.02 -0.06 -5.02 118.16 111.75 2k36 n LYS 116 Ca 0.16 1.38 -0.26 0.00 -2.02 0.00 0.00 58.31 57.57 2k36 n LYS 116 Cb 0.65 -4.85 -0.02 0.00 -0.02 0.00 0.00 35.03 30.78 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 -2.87 5.13 0.03 -0.18 1.01 0.09 -4.98 121.20 119.43 2k36 s ILE 117 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2k36 s ILE 117 Cb -0.01 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2k36 s ILE 117 CO 0.59 -0.38 0.00 -0.24 0.00 0.00 0.00 174.94 174.91 2k36 n SER 118 N -1.26 -2.75 -3.58 3.58 2.88 -1.25 -4.79 113.62 106.44 2k36 n SER 118 Ca -0.04 0.12 -0.20 0.00 -1.33 0.00 0.00 58.87 57.41 2k36 n SER 118 Cb 0.55 -0.33 0.06 0.00 -0.75 0.00 0.00 64.21 63.74 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 -1.12 -5.91 -1.83 -1.46 -0.58 -1.26 -4.98 120.64 103.50 2k36 n GLU 119 Ca 0.00 0.74 -0.31 0.00 -0.42 0.00 0.00 57.16 57.17 2k36 n GLU 119 Cb 0.05 -5.55 0.02 0.00 -0.57 0.00 0.00 31.44 25.39 2k36 n GLU 119 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2k36 s SER 120 N -4.26 5.94 0.00 1.62 0.01 -1.26 -4.13 113.70 111.61 2k36 s SER 120 Ca 0.06 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.70 2k36 s SER 120 Cb -0.03 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2k36 s SER 120 CO 0.77 -1.06 0.00 -1.14 0.41 0.00 0.00 173.24 172.22 2k36 n ARG 121 N -2.86 0.00 -3.21 12.44 3.00 -1.26 -4.32 116.66 120.45 2k36 n ARG 121 Ca 0.06 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.96 2k36 n ARG 121 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.98 2k36 n ARG 121 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 2k36 s PHE 122 N 0.00 -0.34 -0.27 -0.14 5.36 -1.26 -5.17 117.98 116.15 2k36 s PHE 122 Ca 0.00 0.47 -0.25 0.00 -0.96 0.00 0.00 56.93 56.19 2k36 s PHE 122 Cb 0.00 0.16 0.09 0.00 -0.34 0.00 0.00 43.02 42.93 2k36 s PHE 122 CO 0.00 -0.18 0.86 -1.14 -1.46 0.00 0.00 175.22 173.30 2k36 s GLN 123 N 2.61 0.69 -0.15 10.12 0.74 -1.26 -5.04 119.66 127.36 2k36 s GLN 123 Ca -0.03 0.81 0.09 0.00 0.05 0.00 0.00 55.36 56.29 2k36 s GLN 123 Cb -0.06 0.33 0.23 0.00 1.10 0.00 0.00 33.01 34.61 2k36 s GLN 123 CO -0.13 -0.08 1.23 0.43 -0.55 0.00 0.00 175.29 176.19 2k36 n SER 124 N 2.46 -0.79 -4.01 6.67 7.64 -1.26 -4.81 113.62 119.51 2k36 n SER 124 Ca -0.13 -2.08 -0.20 0.00 1.01 0.00 0.00 58.87 57.47 2k36 n SER 124 Cb 0.55 0.33 -0.15 0.00 -1.01 0.00 0.00 64.21 63.93 2k36 n SER 124 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2k36 s LEU 125 N -1.83 1.89 0.00 -3.43 1.43 -1.26 -5.10 118.68 110.38 2k36 s LEU 125 Ca 0.09 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2k36 s LEU 125 Cb 0.23 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.93 2k36 s LEU 125 CO -0.07 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.21 2k36 n GLY 126 N 3.08 -0.17 3.41 -3.19 0.00 -1.26 -5.11 105.19 101.95 2k36 n GLY 126 Ca -0.16 0.74 -0.44 0.00 0.00 0.00 0.00 46.02 46.16 2k36 n GLY 126 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k36 s ASN 127 N 0.00 6.20 0.00 1.61 3.84 -1.26 -4.89 114.94 120.43 2k36 s ASN 127 Ca 0.00 -1.20 0.29 0.00 0.21 0.00 0.00 52.86 52.16 2k36 s ASN 127 Cb 0.00 -2.28 1.26 0.00 -0.55 0.00 0.00 41.25 39.68 2k36 s ASN 127 CO 0.00 -0.95 1.90 0.00 -2.79 0.00 0.00 177.10 175.26 2k36 n ILE 128 N 5.53 0.00 0.29 -5.21 3.06 -1.26 -3.44 119.36 118.32 2k36 n ILE 128 Ca -0.09 -0.02 0.18 0.00 -2.50 0.00 0.00 62.75 60.32 2k36 n ILE 128 Cb 0.44 -0.31 0.96 0.00 0.54 0.00 0.00 39.64 41.27 2k36 n ILE 128 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 2k36 h THR 129 N 0.16 0.35 0.00 9.51 2.02 -1.90 -0.18 112.91 122.88 2k36 h THR 129 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2k36 h THR 129 Cb 0.39 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2k36 h THR 129 CO 0.00 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.36 2k36 n ASP 130 N -3.59 0.00 0.12 4.18 8.00 -1.22 -2.72 116.55 121.31 2k36 n ASP 130 Ca -0.02 0.44 0.13 0.00 0.71 0.00 0.00 54.79 56.05 2k36 n ASP 130 Cb 0.16 -0.47 0.38 0.00 -0.02 0.00 0.00 41.12 41.17 2k36 n ASP 130 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2k36 h LEU 131 N 0.00 0.00 -9.06 0.64 6.46 -1.30 -3.45 115.31 108.60 2k36 h LEU 131 Ca 0.00 -0.00 -0.50 0.00 -0.12 0.00 0.00 57.88 57.26 2k36 h LEU 131 Cb 0.27 0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 40.07 2k36 h LEU 131 CO 0.00 0.00 -0.49 0.00 -0.62 0.00 0.00 178.44 177.33 2k36 s MET 132 N -3.11 1.82 0.09 1.25 0.23 -1.10 -4.94 119.30 113.54 2k36 s MET 132 Ca 0.10 -2.08 0.04 0.00 -1.03 0.00 0.00 55.69 52.72 2k36 s MET 132 Cb 0.12 0.08 -0.03 0.00 -1.53 0.00 0.00 34.83 33.46 2k36 s MET 132 CO 0.60 -0.62 -0.10 0.95 -2.03 0.00 0.00 175.02 173.82 2k36 s THR 133 N -3.37 0.95 0.57 3.16 -4.23 -1.26 -4.95 115.64 106.50 2k36 s THR 133 Ca 0.36 -1.60 0.30 0.00 -1.18 0.00 0.00 61.69 59.57 2k36 s THR 133 Cb 0.02 -1.32 0.43 0.00 1.34 0.00 0.00 72.50 72.98 2k36 s THR 133 CO 0.24 -0.52 1.85 -2.24 -0.54 0.00 0.00 174.62 173.42 2k36 h ASP 134 N 3.65 0.00 0.55 3.99 2.03 -1.98 0.65 116.42 125.31 2k36 h ASP 134 Ca -0.38 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.80 2k36 h ASP 134 Cb 1.19 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.67 2k36 h ASP 134 CO 0.51 0.00 -0.58 -0.78 -1.03 0.00 0.00 179.24 177.36 2k36 h ASP 135 N 0.00 0.04 1.01 4.15 3.58 -2.00 -2.79 116.42 120.40 2k36 h ASP 135 Ca 0.33 -0.02 -0.17 0.00 0.42 0.00 0.00 57.03 57.59 2k36 h ASP 135 Cb 1.55 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.56 2k36 h ASP 135 CO -0.00 0.61 -0.81 -1.13 -2.88 0.00 0.00 179.24 175.03 2k36 h ASN 136 N 0.02 0.00 -0.80 2.28 -0.73 -0.14 -2.85 115.58 113.37 2k36 h ASN 136 Ca -0.01 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.22 2k36 h ASN 136 Cb 1.04 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.58 2k36 h ASN 136 CO 0.08 0.81 0.52 0.40 -0.37 0.00 0.00 177.43 178.87 2k36 h ILE 137 N 0.00 1.08 -0.44 2.57 5.03 -0.89 0.16 117.51 125.01 2k36 h ILE 137 Ca -0.01 -0.31 -0.01 0.00 -0.12 0.00 0.00 64.86 64.40 2k36 h ILE 137 Cb 1.53 0.08 -0.02 0.00 -3.03 0.00 0.00 36.82 35.38 2k36 h ILE 137 CO 0.10 0.17 0.22 0.78 -0.68 0.00 0.00 178.15 178.74 2k36 h ASN 138 N 0.92 0.57 -0.71 1.72 2.35 -1.47 0.26 115.58 119.22 2k36 h ASN 138 Ca 0.33 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 2k36 h ASN 138 Cb 0.15 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2k36 h ASN 138 CO -0.11 0.53 0.37 0.40 -1.65 0.00 0.00 177.43 176.97 2k36 h ILE 139 N 0.57 1.22 0.34 2.81 5.03 -1.24 -1.78 117.51 124.47 2k36 h ILE 139 Ca 0.15 -0.59 -0.02 0.00 -0.12 0.00 0.00 64.86 64.29 2k36 h ILE 139 Cb 0.11 0.32 0.00 0.00 -3.03 0.00 0.00 36.82 34.22 2k36 h ILE 139 CO -0.02 0.25 -0.16 0.25 -0.68 0.00 0.00 178.15 177.79 2k36 h LEU 140 N 0.98 -0.39 -0.73 1.44 7.12 -0.16 0.46 115.31 124.02 2k36 h LEU 140 Ca 0.25 -0.07 0.14 0.00 0.13 0.00 0.00 57.88 58.33 2k36 h LEU 140 Cb 0.07 0.10 -0.10 0.00 -0.53 0.00 0.00 40.66 40.20 2k36 h LEU 140 CO -0.04 -0.17 0.25 0.40 -0.13 0.00 0.00 178.44 178.76 2k36 h ILE 141 N -0.59 0.62 -0.08 4.05 1.08 -0.41 -0.07 117.51 122.11 2k36 h ILE 141 Ca -0.05 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 2k36 h ILE 141 Cb 0.43 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 34.38 2k36 h ILE 141 CO 0.08 0.07 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.53 2k36 h LEU 142 N 0.38 0.14 -0.46 1.44 4.07 -0.88 0.44 115.31 120.45 2k36 h LEU 142 Ca 0.41 -0.32 0.05 0.00 0.08 0.00 0.00 57.88 58.10 2k36 h LEU 142 Cb 0.63 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.29 2k36 h LEU 142 CO -0.43 0.43 0.19 0.15 -1.08 0.00 0.00 178.44 177.69 2k36 h PHE 143 N -0.14 0.33 -0.34 1.13 3.57 0.41 -2.29 116.94 119.61 2k36 h PHE 143 Ca 0.02 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 2k36 h PHE 143 Cb 0.35 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2k36 h PHE 143 CO 0.04 0.14 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.08 2k36 h LEU 144 N 0.37 0.69 -1.93 0.59 3.38 -0.87 -3.01 115.31 114.53 2k36 h LEU 144 Ca 0.21 -0.38 0.09 0.00 0.09 0.00 0.00 57.88 57.89 2k36 h LEU 144 Cb 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2k36 h LEU 144 CO -0.19 0.91 0.44 -0.33 0.09 0.00 0.00 178.44 179.35 2k36 h GLU 145 N 0.46 0.00 -1.01 1.13 5.08 0.45 1.09 114.58 121.78 2k36 h GLU 145 Ca 0.08 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.70 2k36 h GLU 145 Cb 0.62 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.75 2k36 h GLU 145 CO 0.04 0.00 0.61 0.87 -1.00 0.00 0.00 179.01 179.53 2k36 h LYS 146 N 0.00 0.53 0.00 2.33 1.79 -1.35 -3.24 116.57 116.64 2k36 h LYS 146 Ca 0.14 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2k36 h LYS 146 Cb 1.01 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.54 2k36 h LYS 146 CO -0.00 0.35 -1.04 1.63 -1.08 0.00 0.00 179.45 179.31 2k36 n LYS 147 N -4.84 3.64 -1.47 3.15 4.01 0.14 -5.03 118.16 117.75 2k36 n LYS 147 Ca 0.27 -0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.77 2k36 n LYS 147 Cb 0.77 -1.01 0.21 0.00 -0.51 0.00 0.00 35.03 34.49 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 -3.97 1.64 0.00 -0.35 1.43 0.33 -5.04 118.68 112.72 2k36 s LEU 148 Ca -0.00 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 2k36 s LEU 148 Cb 0.00 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.82 2k36 s LEU 148 CO 0.02 -3.43 0.00 -3.20 0.23 0.00 0.00 176.35 169.97