#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 0.55 -1.85 3.04 0.00 -1.26 -5.11 120.51 115.87 2k36 n ALA 2 Ca 0.00 -1.75 -0.43 0.00 0.00 0.00 0.00 53.44 51.27 2k36 n ALA 2 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 2k36 n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k36 s THR 3 N -0.32 3.32 -0.18 0.00 2.01 -1.26 -4.98 115.64 114.23 2k36 s THR 3 Ca 0.24 0.37 -0.08 0.00 0.31 0.00 0.00 61.69 62.53 2k36 s THR 3 Cb 0.35 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 2k36 s THR 3 CO -0.06 -0.11 0.11 -0.54 -0.69 0.00 0.00 174.62 173.33 2k36 s LYS 4 N 4.87 3.95 1.97 4.92 1.02 -1.26 -5.00 119.74 130.21 2k36 s LYS 4 Ca 0.83 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.58 2k36 s LYS 4 Cb -0.33 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 2k36 s LYS 4 CO 0.34 0.40 0.00 1.28 -0.92 0.00 0.00 175.35 176.45 2k36 n LEU 5 N 3.18 0.00 -3.05 3.17 4.32 -1.26 -4.93 117.00 118.43 2k36 n LEU 5 Ca -0.17 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.62 2k36 n LEU 5 Cb 0.53 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.34 2k36 n LEU 5 CO 0.35 -1.19 -0.17 -0.90 -1.22 0.00 0.00 177.39 174.26 2k36 n ASP 6 N -2.44 -3.26 0.00 -1.43 5.75 -1.26 -4.86 116.55 109.04 2k36 n ASP 6 Ca 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 54.79 54.36 2k36 n ASP 6 Cb 0.00 -1.03 0.00 0.00 -1.03 0.00 0.00 41.12 39.06 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 -1.16 -0.12 0.02 2.11 9.36 -1.20 -4.81 117.16 121.36 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 0.45 0.12 0.00 0.00 -0.63 0.00 0.00 39.34 39.28 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 -1.37 0.00 -3.96 2.98 1.02 -1.26 -4.54 120.64 113.51 2k36 n GLU 8 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 2k36 n GLU 8 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.44 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 -2.61 -4.28 -4.54 1.62 9.92 -1.26 -4.77 116.55 110.62 2k36 n ASP 9 Ca 0.00 -0.83 -0.23 0.00 -0.53 0.00 0.00 54.79 53.20 2k36 n ASP 9 Cb 0.00 -3.68 -0.09 0.00 -0.64 0.00 0.00 41.12 36.72 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 -4.61 1.20 -0.03 2.24 0.00 -1.26 -4.67 120.51 113.38 2k36 n ALA 10 Ca 0.02 -2.72 -0.17 0.00 0.00 0.00 0.00 53.44 50.58 2k36 n ALA 10 Cb 0.53 -3.44 -0.07 0.00 0.00 0.00 0.00 19.45 16.47 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 6.30 1.30 -3.17 0.00 3.04 -2.02 -3.46 116.25 118.25 2k36 h VAL 11 Ca 0.14 -1.88 -0.58 0.00 -1.01 0.00 0.00 66.70 63.37 2k36 h VAL 11 Cb 0.95 2.00 0.17 0.00 -2.01 0.00 0.00 31.29 32.40 2k36 h VAL 11 CO 1.17 0.59 -0.26 2.22 -1.01 0.00 0.00 177.57 180.28 2k36 n PHE 12 N -4.05 -0.32 -0.07 3.17 1.16 -1.26 -4.97 117.46 111.12 2k36 n PHE 12 Ca -0.07 0.42 -0.14 0.00 -1.87 0.00 0.00 57.45 55.79 2k36 n PHE 12 Cb 0.68 -1.99 -0.05 0.00 -1.61 0.00 0.00 39.48 36.51 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 -1.83 0.00 1.88 2.97 9.36 -1.26 -4.53 117.16 123.75 2k36 n TYR 13 Ca 0.12 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.49 2k36 n TYR 13 Cb 0.48 -0.51 0.90 0.00 -0.63 0.00 0.00 39.34 39.58 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 -3.79 0.00 -0.07 2.98 3.72 -1.26 -3.23 117.46 115.81 2k36 n PHE 14 Ca -0.26 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.00 2k36 n PHE 14 Cb 0.62 -0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 39.05 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 0.00 -0.53 -4.37 3.04 -1.97 -2.94 116.25 109.48 2k36 h VAL 15 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2k36 h VAL 15 Cb 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.30 2k36 h VAL 15 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 175.89 2k36 n ASP 16 N -5.32 5.25 -0.23 3.17 2.03 -1.20 -1.66 116.55 118.59 2k36 n ASP 16 Ca -0.05 -2.87 0.15 0.00 0.52 0.00 0.00 54.79 52.54 2k36 n ASP 16 Cb 0.35 -0.64 0.46 0.00 -0.72 0.00 0.00 41.12 40.56 2k36 n ASP 16 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2k36 h ASP 17 N 3.59 0.50 0.00 1.67 3.58 -1.59 -3.41 116.42 120.77 2k36 h ASP 17 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2k36 h ASP 17 Cb 1.80 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.79 2k36 h ASP 17 CO 0.40 0.24 0.00 -0.67 -2.88 0.00 0.00 179.24 176.33 2k36 n ASP 18 N -4.53 0.00 -4.26 2.28 2.03 -1.26 -4.89 116.55 105.92 2k36 n ASP 18 Ca 0.17 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.27 2k36 n ASP 18 Cb 0.56 -0.10 -0.10 0.00 -0.72 0.00 0.00 41.12 40.76 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 1.67 0.14 -0.67 -2.85 -1.26 -4.29 119.74 112.48 2k36 s LYS 19 Ca 0.00 -1.95 -0.30 0.00 -1.00 0.00 0.00 55.97 52.72 2k36 s LYS 19 Cb 0.00 -0.55 -0.07 0.00 -2.06 0.00 0.00 37.83 35.15 2k36 s LYS 19 CO 0.00 -0.33 1.12 -1.50 0.10 0.00 0.00 175.35 174.74 2k36 s ILE 20 N -3.42 3.95 0.00 3.79 1.10 -1.26 -4.74 121.20 120.62 2k36 s ILE 20 Ca 0.33 1.59 0.00 0.00 -0.51 0.00 0.00 60.65 62.06 2k36 s ILE 20 Cb 0.06 -4.01 0.00 0.00 0.15 0.00 0.00 42.46 38.66 2k36 s ILE 20 CO 0.15 0.23 0.00 0.00 -2.11 0.00 0.00 174.94 173.21 2k36 s SER 22 N -1.00 4.18 0.26 0.00 0.15 -1.26 -4.92 113.70 111.11 2k36 s SER 22 Ca 0.00 1.68 -0.02 0.00 0.70 0.00 0.00 55.95 58.31 2k36 s SER 22 Cb 0.00 -2.38 0.47 0.00 -1.71 0.00 0.00 66.02 62.39 2k36 s SER 22 CO 0.00 -2.22 1.81 0.03 1.20 0.00 0.00 173.24 174.06 2k36 h ARG 23 N -1.26 0.82 0.00 5.44 3.08 -1.99 -1.46 114.38 119.01 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 1.25 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2k36 h ARG 23 CO 0.53 0.54 0.00 -3.47 -1.07 0.00 0.00 179.97 176.50 2k36 n ASP 24 N -4.72 0.00 -0.00 7.04 -0.08 -1.26 -2.78 116.55 114.75 2k36 n ASP 24 Ca 0.16 0.07 0.08 0.00 -1.51 0.00 0.00 54.79 53.59 2k36 n ASP 24 Cb 0.32 -0.32 -0.11 0.00 2.34 0.00 0.00 41.12 43.36 2k36 n ASP 24 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2k36 n SER 25 N -1.32 0.84 -0.14 1.67 2.88 -0.56 -3.71 113.62 113.28 2k36 n SER 25 Ca 0.09 -0.69 0.13 0.00 -1.33 0.00 0.00 58.87 57.07 2k36 n SER 25 Cb 0.18 1.19 0.38 0.00 -0.75 0.00 0.00 64.21 65.20 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 -1.57 0.00 0.16 2.46 2.08 -1.12 -2.66 119.36 118.71 2k36 n ILE 26 Ca 0.02 -0.07 -0.12 0.00 0.56 0.00 0.00 62.75 63.14 2k36 n ILE 26 Cb 0.31 0.25 -0.07 0.00 -0.75 0.00 0.00 39.64 39.39 2k36 n ILE 26 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2k36 h ILE 27 N 0.70 0.47 -0.03 1.39 1.08 -1.66 -2.78 117.51 116.67 2k36 h ILE 27 Ca 0.00 -0.71 -0.17 0.00 -0.39 0.00 0.00 64.86 63.59 2k36 h ILE 27 Cb 0.48 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 2k36 h ILE 27 CO 0.00 0.10 -0.73 0.44 -0.69 0.00 0.00 178.15 177.27 2k36 h ASP 28 N -0.95 0.25 -0.56 1.72 3.32 -1.73 -3.31 116.42 115.16 2k36 h ASP 28 Ca -0.05 -0.17 0.11 0.00 0.02 0.00 0.00 57.03 56.94 2k36 h ASP 28 Cb 0.52 -0.07 -0.10 0.00 0.22 0.00 0.00 39.33 39.89 2k36 h ASP 28 CO 0.08 0.90 -0.10 0.25 -1.72 0.00 0.00 179.24 178.65 2k36 h LEU 29 N 0.14 -0.44 -1.93 1.55 5.85 -1.51 0.89 115.31 119.86 2k36 h LEU 29 Ca -0.02 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2k36 h LEU 29 Cb 1.30 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 2k36 h LEU 29 CO 0.11 -0.16 0.02 0.40 -0.34 0.00 0.00 178.44 178.47 2k36 h ILE 30 N 0.03 1.02 -0.07 4.05 1.08 -1.57 0.32 117.51 122.37 2k36 h ILE 30 Ca 0.27 -0.07 -0.12 0.00 -0.39 0.00 0.00 64.86 64.56 2k36 h ILE 30 Cb 0.43 0.96 0.01 0.00 -3.07 0.00 0.00 36.82 35.15 2k36 h ILE 30 CO -0.55 0.02 -0.42 -0.78 -0.69 0.00 0.00 178.15 175.74 2k36 h ASP 31 N 0.07 0.48 0.01 1.72 1.82 -1.10 -2.81 116.42 116.61 2k36 h ASP 31 Ca 0.02 -0.67 0.01 0.00 -0.39 0.00 0.00 57.03 56.00 2k36 h ASP 31 Cb 0.01 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 2k36 h ASP 31 CO -0.00 1.08 -0.05 -0.33 -1.61 0.00 0.00 179.24 178.32 2k36 h GLU 32 N -0.07 -0.10 0.63 0.28 4.39 0.58 -0.24 114.58 120.06 2k36 h GLU 32 Ca -0.03 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 2k36 h GLU 32 Cb 1.08 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2k36 h GLU 32 CO 0.09 -0.06 -0.30 -0.92 -1.16 0.00 0.00 179.01 176.65 2k36 h TYR 33 N -0.10 -0.79 -0.63 4.33 3.20 -0.52 0.89 116.97 123.35 2k36 h TYR 33 Ca 0.02 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.00 2k36 h TYR 33 Cb 0.12 0.26 -0.10 0.00 1.54 0.00 0.00 36.73 38.55 2k36 h TYR 33 CO -0.12 -0.45 0.03 0.82 -1.64 0.00 0.00 178.16 176.80 2k36 h ILE 34 N -1.00 0.50 -0.39 1.81 1.08 -1.54 0.52 117.51 118.49 2k36 h ILE 34 Ca -0.09 -0.05 -0.07 0.00 -0.39 0.00 0.00 64.86 64.27 2k36 h ILE 34 Cb 0.69 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 2k36 h ILE 34 CO 0.14 0.03 -0.05 0.74 -0.69 0.00 0.00 178.15 178.32 2k36 h THR 35 N 0.14 1.23 -0.45 -0.27 2.02 -0.81 -2.80 112.91 111.97 2k36 h THR 35 Ca 0.33 -0.97 -0.12 0.00 0.77 0.00 0.00 66.41 66.43 2k36 h THR 35 Cb 0.54 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2k36 h THR 35 CO -0.52 0.33 -0.19 -0.25 0.37 0.00 0.00 175.52 175.26 2k36 h TRP 36 N 0.60 1.01 -0.52 3.16 7.01 0.31 0.20 115.95 127.72 2k36 h TRP 36 Ca 0.12 -0.23 0.15 0.00 2.11 0.00 0.00 58.89 61.04 2k36 h TRP 36 Cb 0.44 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 2k36 h TRP 36 CO 0.02 1.00 0.37 0.00 -2.79 0.00 0.00 178.44 177.04 2k36 h ARG 37 N 0.78 0.02 0.11 2.65 2.47 0.17 -1.42 114.38 119.16 2k36 h ARG 37 Ca 0.11 -0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.63 2k36 h ARG 37 Cb 0.73 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.05 2k36 h ARG 37 CO 0.06 0.01 -0.94 -0.97 0.56 0.00 0.00 179.97 178.69 2k36 h ASN 38 N 0.02 0.36 -0.87 7.04 -0.73 -0.99 -3.32 115.58 117.09 2k36 h ASN 38 Ca 0.25 -0.90 0.16 0.00 1.87 0.00 0.00 56.30 57.68 2k36 h ASN 38 Cb 0.97 -0.12 -0.10 0.00 0.27 0.00 0.00 38.32 39.34 2k36 h ASN 38 CO -0.01 1.43 0.45 0.45 -0.37 0.00 0.00 177.43 179.38 2k36 h HIS 39 N -0.46 0.78 -0.40 0.67 3.86 0.24 0.24 115.15 120.09 2k36 h HIS 39 Ca -0.19 0.04 0.10 0.00 -1.16 0.00 0.00 60.37 59.16 2k36 h HIS 39 Cb 1.59 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.83 2k36 h HIS 39 CO 0.18 0.15 0.28 0.28 0.86 0.00 0.00 177.93 179.68 2k36 h VAL 40 N 0.61 0.84 0.00 2.45 2.07 -1.39 -1.48 116.25 119.35 2k36 h VAL 40 Ca 0.49 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.98 2k36 h VAL 40 Cb 0.74 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2k36 h VAL 40 CO -0.39 0.01 -0.10 0.40 0.02 0.00 0.00 177.57 177.51 2k36 h ILE 41 N 0.08 0.00 -0.37 4.57 1.08 -0.71 0.85 117.51 123.02 2k36 h ILE 41 Ca 0.19 -0.31 0.08 0.00 -0.39 0.00 0.00 64.86 64.43 2k36 h ILE 41 Cb 0.64 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.30 2k36 h ILE 41 CO -0.02 0.00 -0.25 -0.37 -0.69 0.00 0.00 178.15 176.82 2k36 h VAL 42 N -0.31 0.34 -0.00 1.67 -1.51 -1.24 -0.44 116.25 114.76 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 0.10 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 29.60 2k36 h VAL 42 CO 0.00 0.00 -0.15 0.49 -1.23 0.00 0.00 177.57 176.68 2k36 n PHE 43 N -5.40 0.00 -3.63 5.19 3.01 -0.56 -4.67 117.46 111.41 2k36 n PHE 43 Ca 0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.25 2k36 n PHE 43 Cb 0.31 -0.18 0.06 0.00 -0.01 0.00 0.00 39.48 39.67 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 -0.91 -3.75 -3.04 4.37 4.05 -0.17 -3.23 115.26 112.58 2k36 n ASN 44 Ca 0.14 -0.66 0.00 0.00 0.45 0.00 0.00 54.58 54.50 2k36 n ASN 44 Cb 0.29 -4.65 0.00 0.00 1.23 0.00 0.00 39.78 36.65 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 -4.54 1.21 -5.11 1.20 5.02 0.27 -4.97 118.16 111.24 2k36 n LYS 45 Ca -0.14 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.85 2k36 n LYS 45 Cb 0.61 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.45 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 -1.04 2.82 0.36 4.39 1.01 -1.26 -4.86 116.67 118.09 2k36 s ASP 46 Ca 0.00 -0.49 0.16 0.00 0.71 0.00 0.00 52.55 52.93 2k36 s ASP 46 Cb 0.00 -1.08 0.67 0.00 1.01 0.00 0.00 42.92 43.53 2k36 s ASP 46 CO 0.00 0.17 1.75 -0.29 0.21 0.00 0.00 175.17 177.01 2k36 h ILE 47 N 5.49 1.05 0.00 0.77 6.09 -1.98 -2.61 117.51 126.32 2k36 h ILE 47 Ca -0.26 -1.54 0.00 0.00 -1.37 0.00 0.00 64.86 61.69 2k36 h ILE 47 Cb 1.21 1.89 0.00 0.00 0.47 0.00 0.00 36.82 40.39 2k36 h ILE 47 CO 0.47 0.40 -0.04 0.35 -3.07 0.00 0.00 178.15 176.27 2k36 n THR 48 N -3.70 0.14 -3.08 2.19 -2.24 -1.26 -4.46 114.28 101.87 2k36 n THR 48 Ca -0.01 -0.07 -0.44 0.00 -2.27 0.00 0.00 64.05 61.26 2k36 n THR 48 Cb 0.49 -0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 2k36 n THR 48 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k36 s SER 49 N -3.36 7.05 0.00 3.42 0.15 -0.99 -4.87 113.70 115.11 2k36 s SER 49 Ca 0.13 -2.99 0.00 0.00 0.70 0.00 0.00 55.95 53.79 2k36 s SER 49 Cb 0.17 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2k36 s SER 49 CO 0.56 -0.66 0.00 0.00 1.20 0.00 0.00 173.24 174.34 2k36 n GLY 51 N 0.00 1.28 0.12 0.00 0.00 -0.67 -4.85 105.19 101.08 2k36 n GLY 51 Ca 0.00 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.12 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 0.21 -0.69 1.61 3.08 -1.80 -3.42 114.38 113.37 2k36 h ARG 52 Ca 0.00 -0.35 0.14 0.00 0.07 0.00 0.00 59.98 59.84 2k36 h ARG 52 Cb 0.00 0.13 -0.10 0.00 0.08 0.00 0.00 29.97 30.08 2k36 h ARG 52 CO 0.00 1.17 0.14 1.25 -1.07 0.00 0.00 179.97 181.46 2k36 h LEU 53 N -0.44 -0.03 -0.75 3.04 6.46 -1.82 -2.64 115.31 119.13 2k36 h LEU 53 Ca -0.26 0.14 -0.11 0.00 -0.12 0.00 0.00 57.88 57.53 2k36 h LEU 53 Cb 1.63 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.75 2k36 h LEU 53 CO 0.04 -0.04 -0.21 0.10 -0.62 0.00 0.00 178.44 177.72 2k36 h TYR 54 N 0.25 0.82 -1.19 1.25 -0.00 -1.80 -2.55 116.97 113.75 2k36 h TYR 54 Ca 0.38 -0.18 0.34 0.00 -0.00 0.00 0.00 58.73 59.27 2k36 h TYR 54 Cb 0.62 -0.20 -0.09 0.00 -0.00 0.00 0.00 36.73 37.06 2k36 h TYR 54 CO -0.27 0.88 0.79 0.87 -0.00 0.00 0.00 178.16 180.42 2k36 h LYS 55 N 0.65 0.20 -0.11 0.10 1.79 -1.72 0.47 116.57 117.95 2k36 h LYS 55 Ca 0.09 -0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.33 2k36 h LYS 55 Cb 0.70 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.31 2k36 h LYS 55 CO 0.05 0.13 -0.82 1.49 -1.08 0.00 0.00 179.45 179.23 2k36 h GLU 56 N 0.21 0.68 -0.75 3.15 4.57 -1.58 -2.61 114.58 118.25 2k36 h GLU 56 Ca 0.66 -0.59 0.08 0.00 -1.18 0.00 0.00 59.36 58.33 2k36 h GLU 56 Cb 2.06 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 30.73 2k36 h GLU 56 CO -0.26 1.20 0.49 -0.07 -1.18 0.00 0.00 179.01 179.20 2k36 h LEU 57 N 0.45 0.66 -1.70 1.64 -0.00 -1.02 -0.63 115.31 114.70 2k36 h LEU 57 Ca -0.06 0.01 0.12 0.00 -0.00 0.00 0.00 57.88 57.95 2k36 h LEU 57 Cb 1.44 -0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 41.94 2k36 h LEU 57 CO 0.16 0.41 0.42 0.24 -0.00 0.00 0.00 178.44 179.67 2k36 h MET 58 N 0.74 0.31 0.00 1.13 2.86 -0.98 0.64 114.93 119.64 2k36 h MET 58 Ca 0.33 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 2k36 h MET 58 Cb 0.34 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2k36 h MET 58 CO -0.12 0.21 0.00 1.63 1.06 0.00 0.00 176.91 179.69 2k36 n LYS 59 N -4.46 0.20 0.14 1.72 5.02 -0.25 -1.09 118.16 119.44 2k36 n LYS 59 Ca 0.11 0.36 0.12 0.00 -2.02 0.00 0.00 58.31 56.88 2k36 n LYS 59 Cb 0.46 -1.83 0.26 0.00 -0.02 0.00 0.00 35.03 33.90 2k36 n LYS 59 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2k36 h PHE 60 N 0.00 0.00 -0.30 2.13 0.04 -0.88 0.10 116.94 118.04 2k36 h PHE 60 Ca 0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 2k36 h PHE 60 Cb 0.45 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 2k36 h PHE 60 CO 0.00 0.00 -0.31 0.22 -0.60 0.00 0.00 178.31 177.62 2k36 h ASP 61 N 0.00 0.79 -0.01 2.17 1.82 -1.07 -2.79 116.42 117.32 2k36 h ASP 61 Ca 0.00 -0.47 -0.23 0.00 -0.39 0.00 0.00 57.03 55.94 2k36 h ASP 61 Cb 0.85 -0.22 0.02 0.00 0.68 0.00 0.00 39.33 40.66 2k36 h ASP 61 CO 0.00 1.10 -0.88 -0.78 -1.61 0.00 0.00 179.24 177.08 2k36 h ASP 62 N 0.49 0.79 -0.37 2.28 3.58 -1.32 -0.22 116.42 121.65 2k36 h ASP 62 Ca 0.05 -0.74 0.00 0.00 0.42 0.00 0.00 57.03 56.76 2k36 h ASP 62 Cb 0.88 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 2k36 h ASP 62 CO 0.08 1.42 0.24 1.62 -2.88 0.00 0.00 179.24 179.72 2k36 h VAL 63 N 0.25 1.11 -0.12 2.25 3.04 -0.88 0.62 116.25 122.50 2k36 h VAL 63 Ca -0.11 -0.22 -0.16 0.00 -1.01 0.00 0.00 66.70 65.20 2k36 h VAL 63 Cb 1.55 0.56 0.01 0.00 -2.01 0.00 0.00 31.29 31.39 2k36 h VAL 63 CO 0.17 0.11 -0.55 0.00 -1.01 0.00 0.00 177.57 176.29 2k36 h ALA 64 N 1.74 0.23 -0.61 3.17 0.00 -1.26 -0.18 119.26 122.35 2k36 h ALA 64 Ca 0.14 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2k36 h ALA 64 Cb -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2k36 h ALA 64 CO -0.03 0.45 0.40 0.82 0.00 0.00 0.00 179.25 180.90 2k36 h ILE 65 N 0.23 1.03 -0.31 0.00 2.04 0.25 0.63 117.51 121.38 2k36 h ILE 65 Ca -0.03 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 2k36 h ILE 65 Cb 1.19 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2k36 h ILE 65 CO 0.12 0.12 -0.11 -0.09 0.00 0.00 0.00 178.15 178.18 2k36 h ARG 66 N 0.64 0.63 0.00 2.37 2.43 0.31 -2.87 114.38 117.89 2k36 h ARG 66 Ca 0.26 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k36 h ARG 66 Cb 0.21 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2k36 h ARG 66 CO -0.08 0.83 -0.06 -0.92 -1.51 0.00 0.00 179.97 178.23 2k36 h TYR 67 N 0.40 0.00 -0.13 2.20 5.03 0.12 -3.40 116.97 121.19 2k36 h TYR 67 Ca 0.07 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.24 2k36 h TYR 67 Cb 0.62 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.89 2k36 h TYR 67 CO 0.06 0.00 -0.55 1.88 -1.32 0.00 0.00 178.16 178.22 2k36 h TYR 68 N -0.16 0.49 0.00 -3.82 0.05 0.00 -3.49 116.97 110.04 2k36 h TYR 68 Ca 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.61 2k36 h TYR 68 Cb 0.06 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.71 2k36 h TYR 68 CO -0.03 0.86 0.00 0.41 -1.05 0.00 0.00 178.16 178.35 2k36 n GLY 69 N 0.21 1.85 0.28 3.88 0.00 -0.59 -4.44 105.19 106.38 2k36 n GLY 69 Ca -0.03 -1.52 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 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 1.14 0.03 -0.61 6.09 -1.83 0.29 117.51 122.62 2k36 h ILE 70 Ca 0.00 -0.32 0.02 0.00 -1.37 0.00 0.00 64.86 63.19 2k36 h ILE 70 Cb 0.00 0.13 -0.03 0.00 0.47 0.00 0.00 36.82 37.39 2k36 h ILE 70 CO 0.00 0.17 -0.14 -0.78 -3.07 0.00 0.00 178.15 174.33 2k36 h ASP 71 N 0.93 -0.39 -0.51 2.19 3.58 -1.92 0.41 116.42 120.71 2k36 h ASP 71 Ca 0.28 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.74 2k36 h ASP 71 Cb -0.04 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2k36 h ASP 71 CO -0.09 -0.20 0.14 0.11 -2.88 0.00 0.00 179.24 176.32 2k36 h LYS 72 N -0.24 0.80 -0.33 0.28 1.79 -1.64 -1.04 116.57 116.19 2k36 h LYS 72 Ca 0.04 -0.19 0.04 0.00 -2.18 0.00 0.00 60.65 58.36 2k36 h LYS 72 Cb 0.29 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 2k36 h LYS 72 CO -0.12 0.76 0.11 0.82 -1.08 0.00 0.00 179.45 179.94 2k36 h ILE 73 N 0.70 0.90 -0.60 1.86 2.04 -0.05 0.67 117.51 123.02 2k36 h ILE 73 Ca 0.16 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 66.03 2k36 h ILE 73 Cb 0.31 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 2k36 h ILE 73 CO -0.00 0.04 0.23 0.78 0.00 0.00 0.00 178.15 179.21 2k36 h ASN 74 N 0.24 0.24 -0.00 1.72 2.35 0.16 0.61 115.58 120.91 2k36 h ASN 74 Ca 0.15 0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.83 2k36 h ASN 74 Cb 0.13 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2k36 h ASN 74 CO -0.16 0.15 -0.45 -0.33 -1.65 0.00 0.00 177.43 174.98 2k36 h GLU 75 N 0.42 0.54 0.14 0.81 5.08 -0.21 -2.98 114.58 118.38 2k36 h GLU 75 Ca 0.30 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2k36 h GLU 75 Cb 0.36 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2k36 h GLU 75 CO -0.29 0.89 -0.07 0.82 -1.00 0.00 0.00 179.01 179.35 2k36 h ILE 76 N 0.44 0.98 -0.13 3.13 5.03 0.11 -2.19 117.51 124.89 2k36 h ILE 76 Ca 0.03 -1.06 0.04 0.00 -0.12 0.00 0.00 64.86 63.75 2k36 h ILE 76 Cb 0.96 1.59 -0.05 0.00 -3.03 0.00 0.00 36.82 36.29 2k36 h ILE 76 CO 0.09 0.23 -0.20 1.62 -0.68 0.00 0.00 178.15 179.20 2k36 h VAL 77 N -0.75 0.49 -0.42 1.67 3.04 0.15 -0.57 116.25 119.86 2k36 h VAL 77 Ca -0.02 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.66 2k36 h VAL 77 Cb 0.53 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 30.28 2k36 h VAL 77 CO 0.03 0.00 0.20 -0.33 -1.01 0.00 0.00 177.57 176.47 2k36 h GLU 78 N -0.26 0.58 -0.02 4.17 5.08 -1.63 -2.40 114.58 120.11 2k36 h GLU 78 Ca 0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2k36 h GLU 78 Cb 0.40 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k36 h GLU 78 CO -0.28 0.46 0.01 0.00 -1.00 0.00 0.00 179.01 178.20 2k36 h ALA 79 N 1.64 0.02 -1.23 3.43 0.00 -0.54 -1.90 119.26 120.68 2k36 h ALA 79 Ca 0.15 -0.02 0.36 0.00 0.00 0.00 0.00 54.91 55.40 2k36 h ALA 79 Cb 0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 2k36 h ALA 79 CO -0.02 -0.47 0.83 0.52 0.00 0.00 0.00 179.25 180.11 2k36 h MET 80 N -0.00 0.17 0.00 0.00 2.86 -0.65 0.75 114.93 118.05 2k36 h MET 80 Ca 0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k36 h MET 80 Cb 0.03 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2k36 h MET 80 CO -0.00 0.11 0.00 0.77 1.06 0.00 0.00 176.91 178.85 2k36 h SER 81 N 0.17 0.00 -0.00 1.22 0.02 -1.12 -1.24 113.55 112.61 2k36 h SER 81 Ca 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.63 2k36 h SER 81 Cb 2.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.73 2k36 h SER 81 CO -0.24 0.00 -0.85 -0.62 -1.14 0.00 0.00 176.83 173.98 2k36 n GLU 82 N -2.33 0.91 -1.26 3.45 1.02 0.23 -2.29 120.64 120.36 2k36 n GLU 82 Ca 0.03 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2k36 n GLU 82 Cb 0.30 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 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 1.43 0.45 2.69 0.62 0.00 -0.47 -5.00 105.19 104.91 2k36 n GLY 83 Ca 0.04 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.92 1.59 0.00 1.61 -1.08 -1.15 -5.03 116.67 109.69 2k36 s ASP 84 Ca 0.00 -0.15 0.00 0.00 -0.52 0.00 0.00 52.55 51.88 2k36 s ASP 84 Cb 0.00 -0.26 0.00 0.00 -1.46 0.00 0.00 42.92 41.20 2k36 s ASP 84 CO 0.00 -0.26 0.00 0.00 0.52 0.00 0.00 175.17 175.43 2k36 n HIS 85 N 5.24 -0.31 0.00 -5.34 1.44 -1.26 -4.12 115.22 110.86 2k36 n HIS 85 Ca -0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 2k36 n HIS 85 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 2k36 n HIS 85 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2k36 n TYR 86 N 0.00 0.00 -1.76 -1.40 4.02 -1.26 -5.11 117.16 111.65 2k36 n TYR 86 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 2k36 n TYR 86 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 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 -0.00 -7.73 -1.10 -0.72 -0.00 -1.26 -4.96 119.36 103.59 2k36 n ILE 87 Ca 0.00 1.52 0.06 0.00 -0.00 0.00 0.00 62.75 64.33 2k36 n ILE 87 Cb 0.00 -4.66 0.24 0.00 -0.00 0.00 0.00 39.64 35.22 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 0.89 3.51 -0.40 4.38 4.13 -1.26 -5.08 115.26 121.43 2k36 n ASN 88 Ca -0.06 -3.19 0.00 0.00 1.68 0.00 0.00 54.58 53.02 2k36 n ASN 88 Cb 0.09 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 37.76 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 -0.70 -1.33 -2.79 3.10 3.72 -1.26 -4.55 117.46 113.64 2k36 n PHE 89 Ca 0.24 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.22 2k36 n PHE 89 Cb 0.92 0.22 -0.04 0.00 -0.94 0.00 0.00 39.48 39.64 2k36 n PHE 89 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2k36 s THR 90 N 0.00 4.60 0.02 4.37 -4.23 -1.26 -4.93 115.64 114.21 2k36 s THR 90 Ca 0.00 1.29 -0.22 0.00 -1.18 0.00 0.00 61.69 61.58 2k36 s THR 90 Cb 0.00 -4.32 -0.12 0.00 1.34 0.00 0.00 72.50 69.39 2k36 s THR 90 CO 0.00 -0.49 1.16 0.50 -0.54 0.00 0.00 174.62 175.25 2k36 h LYS 91 N 8.36 -0.77 -6.29 3.99 3.64 -2.01 -3.42 116.57 120.07 2k36 h LYS 91 Ca -0.23 0.05 -0.56 0.00 -1.27 0.00 0.00 60.65 58.64 2k36 h LYS 91 Cb 1.08 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 2k36 h LYS 91 CO 0.98 -0.52 -0.07 0.14 -2.27 0.00 0.00 179.45 177.71 2k36 s VAL 92 N -4.48 4.82 -0.54 2.00 -7.23 -1.26 -5.01 120.40 108.71 2k36 s VAL 92 Ca -0.12 0.95 0.02 0.00 -1.81 0.00 0.00 61.98 61.03 2k36 s VAL 92 Cb 0.01 -3.78 0.42 0.00 0.56 0.00 0.00 36.38 33.59 2k36 s VAL 92 CO 0.35 0.35 1.56 1.41 -0.31 0.00 0.00 175.10 178.46 2k36 n HIS 93 N 1.11 3.09 -4.16 2.82 8.25 -1.26 -4.84 115.22 120.22 2k36 n HIS 93 Ca -0.07 -2.67 -0.24 0.00 -0.26 0.00 0.00 57.72 54.48 2k36 n HIS 93 Cb 0.51 -0.74 -0.07 0.00 1.12 0.00 0.00 29.99 30.82 2k36 n HIS 93 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2k36 s ASP 94 N -2.61 4.51 0.24 0.41 -1.08 -1.26 -4.94 116.67 111.94 2k36 s ASP 94 Ca 0.54 -0.88 -0.05 0.00 -0.52 0.00 0.00 52.55 51.64 2k36 s ASP 94 Cb 0.44 -0.63 0.42 0.00 -1.46 0.00 0.00 42.92 41.68 2k36 s ASP 94 CO -0.12 -0.33 1.77 -0.61 0.52 0.00 0.00 175.17 176.40 2k36 h GLN 95 N 1.59 0.57 -0.83 4.34 4.15 -1.97 0.13 115.11 123.09 2k36 h GLN 95 Ca -0.43 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.01 2k36 h GLN 95 Cb 1.25 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.76 2k36 h GLN 95 CO 0.65 0.38 0.54 1.49 -1.93 0.00 0.00 178.83 179.96 2k36 h GLU 96 N 0.59 0.93 0.01 1.69 4.81 -1.98 0.19 114.58 120.81 2k36 h GLU 96 Ca 0.40 -0.06 -0.22 0.00 -0.13 0.00 0.00 59.36 59.35 2k36 h GLU 96 Cb 0.50 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2k36 h GLU 96 CO -0.32 0.61 -1.07 1.03 -0.73 0.00 0.00 179.01 178.53 2k36 h SER 97 N 0.96 0.02 -0.35 1.04 0.87 -1.44 -1.86 113.55 112.78 2k36 h SER 97 Ca 0.35 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 2k36 h SER 97 Cb 0.15 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2k36 h SER 97 CO -0.12 1.02 0.22 -0.07 -0.53 0.00 0.00 176.83 177.35 2k36 h LEU 98 N 0.00 0.40 -0.53 2.23 3.38 0.10 -1.21 115.31 119.68 2k36 h LEU 98 Ca -0.04 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 2k36 h LEU 98 Cb 1.80 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 2k36 h LEU 98 CO 0.13 0.31 -0.07 -0.26 0.09 0.00 0.00 178.44 178.63 2k36 h PHE 99 N 0.46 1.10 -0.72 1.13 -1.00 -0.76 -3.23 116.94 113.93 2k36 h PHE 99 Ca 0.13 -0.22 0.07 0.00 2.81 0.00 0.00 57.97 60.76 2k36 h PHE 99 Cb -0.04 -0.28 -0.05 0.00 3.61 0.00 0.00 35.95 39.20 2k36 h PHE 99 CO -0.05 1.02 0.47 0.00 -1.61 0.00 0.00 178.31 178.15 2k36 h ALA 100 N 0.93 1.74 0.00 2.45 0.00 -0.75 -0.87 119.26 122.75 2k36 h ALA 100 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2k36 h ALA 100 Cb 0.63 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k36 h ALA 100 CO 0.04 0.14 -0.12 0.00 0.00 0.00 0.00 179.25 179.31 2k36 h THR 101 N 0.72 0.30 0.11 0.00 1.03 -1.26 -1.74 112.91 112.08 2k36 h THR 101 Ca 0.31 -0.86 -0.01 0.00 -0.01 0.00 0.00 66.41 65.85 2k36 h THR 101 Cb 0.30 1.67 0.00 0.00 -1.07 0.00 0.00 68.15 69.06 2k36 h THR 101 CO -0.11 0.12 -0.05 0.40 -0.01 0.00 0.00 175.52 175.87 2k36 h ILE 102 N 0.00 1.07 -0.50 0.00 5.03 -1.27 -3.08 117.51 118.76 2k36 h ILE 102 Ca -0.00 -1.21 -0.08 0.00 -0.12 0.00 0.00 64.86 63.44 2k36 h ILE 102 Cb 0.66 1.77 -0.02 0.00 -3.03 0.00 0.00 36.82 36.20 2k36 h ILE 102 CO 0.02 0.27 -0.03 1.23 -0.68 0.00 0.00 178.15 178.95 2k36 h GLY 103 N -0.77 0.92 0.95 5.37 0.00 -1.36 0.18 103.07 108.37 2k36 h GLY 103 Ca -0.02 -0.65 0.02 0.00 0.00 0.00 0.00 47.33 46.68 2k36 h GLY 103 CO 0.03 0.60 0.54 1.19 0.00 0.00 0.00 176.54 178.90 2k36 h ILE 104 N 0.79 1.18 0.00 2.60 6.09 -1.44 -0.93 117.51 125.79 2k36 h ILE 104 Ca 0.14 -0.37 -0.07 0.00 -1.37 0.00 0.00 64.86 63.20 2k36 h ILE 104 Cb 0.52 0.00 -0.01 0.00 0.47 0.00 0.00 36.82 37.80 2k36 h ILE 104 CO 0.03 0.20 -0.31 0.00 -3.07 0.00 0.00 178.15 174.99 2k36 h ALA 106 N 1.69 0.85 -0.00 0.00 0.00 0.42 -2.62 119.26 119.60 2k36 h ALA 106 Ca -0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 2k36 h ALA 106 Cb 0.88 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2k36 h ALA 106 CO 0.04 0.64 -0.47 0.87 0.00 0.00 0.00 179.25 180.33 2k36 h LYS 107 N 0.53 0.01 0.01 0.00 1.57 -1.46 -3.11 116.57 114.11 2k36 h LYS 107 Ca 0.05 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2k36 h LYS 107 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2k36 h LYS 107 CO 0.07 0.47 -0.00 0.82 -0.57 0.00 0.00 179.45 180.24 2k36 h ILE 108 N 0.01 1.37 -0.34 1.86 2.04 -1.55 -1.97 117.51 118.93 2k36 h ILE 108 Ca -0.00 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.68 2k36 h ILE 108 Cb 0.83 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 2k36 h ILE 108 CO 0.06 0.29 0.02 0.00 0.00 0.00 0.00 178.15 178.53 2k36 h THR 109 N -0.50 1.19 0.21 -0.27 1.03 -1.53 -3.07 112.91 109.97 2k36 h THR 109 Ca -0.00 -0.73 -0.32 0.00 -0.01 0.00 0.00 66.41 65.35 2k36 h THR 109 Cb 0.49 0.91 0.03 0.00 -1.07 0.00 0.00 68.15 68.50 2k36 h THR 109 CO 0.00 0.25 -1.41 1.05 -0.01 0.00 0.00 175.52 175.41 2k36 h GLU 110 N 0.51 0.51 -0.79 0.00 4.11 -1.54 -3.30 114.58 114.08 2k36 h GLU 110 Ca 0.11 -0.83 0.14 0.00 0.07 0.00 0.00 59.36 58.85 2k36 h GLU 110 Cb 0.29 0.31 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 2k36 h GLU 110 CO 0.01 1.39 0.52 1.25 0.07 0.00 0.00 179.01 182.25 2k36 h HIS 111 N 0.15 0.59 0.00 2.06 2.76 -1.26 0.64 115.15 120.09 2k36 h HIS 111 Ca -0.23 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 2k36 h HIS 111 Cb 2.10 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.87 2k36 h HIS 111 CO 0.12 0.23 0.00 -1.49 -1.30 0.00 0.00 177.93 175.48 2k36 h TRP 112 N 0.50 0.00 -0.05 5.26 6.55 -1.63 -3.39 115.95 123.20 2k36 h TRP 112 Ca 0.39 0.00 0.03 0.00 0.95 0.00 0.00 58.89 60.26 2k36 h TRP 112 Cb 0.79 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 29.03 2k36 h TRP 112 CO -0.00 0.00 -0.47 0.78 -1.05 0.00 0.00 178.44 177.70 2k36 h GLY 113 N 2.10 -0.89 0.49 1.49 0.00 -1.00 0.52 103.07 105.79 2k36 h GLY 113 Ca 0.00 0.58 0.06 0.00 0.00 0.00 0.00 47.33 47.96 2k36 h GLY 113 CO 0.00 -0.23 0.03 -0.97 0.00 0.00 0.00 176.54 175.37 2k36 h TYR 114 N -0.58 0.04 -0.17 5.60 0.05 -1.78 -2.29 116.97 117.84 2k36 h TYR 114 Ca 0.04 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.85 2k36 h TYR 114 Cb 0.67 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.45 2k36 h TYR 114 CO -0.49 -0.03 0.00 0.36 -1.05 0.00 0.00 178.16 176.95 2k36 n LYS 115 N -5.14 1.66 -3.19 4.88 2.85 -1.22 -4.93 118.16 113.07 2k36 n LYS 115 Ca 0.02 -1.57 -0.05 0.00 -1.05 0.00 0.00 58.31 55.66 2k36 n LYS 115 Cb 0.17 -1.23 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 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 0.53 -1.39 -1.56 -1.58 5.02 0.17 -4.97 118.16 114.38 2k36 n LYS 116 Ca 0.09 1.35 -0.31 0.00 -2.02 0.00 0.00 58.31 57.41 2k36 n LYS 116 Cb 0.34 -5.20 0.06 0.00 -0.02 0.00 0.00 35.03 30.20 2k36 n LYS 116 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2k36 s ILE 117 N -3.02 3.76 0.00 -0.18 1.01 -0.31 -4.00 121.20 118.47 2k36 s ILE 117 Ca 0.02 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.29 2k36 s ILE 117 Cb -0.00 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.22 2k36 s ILE 117 CO 0.77 -0.70 0.00 -0.24 0.00 0.00 0.00 174.94 174.77 2k36 n SER 118 N -3.05 0.00 0.00 3.58 2.88 -0.97 -3.19 113.62 112.87 2k36 n SER 118 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2k36 n SER 118 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2k36 n SER 118 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2k36 n GLU 119 N 0.00 0.00 -3.86 -1.46 2.13 -1.26 -4.85 120.64 111.35 2k36 n GLU 119 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 2k36 n GLU 119 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 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 0.00 -0.93 -4.65 4.31 2.88 -1.19 -4.88 113.62 109.16 2k36 n SER 120 Ca 0.00 -0.89 -0.39 0.00 -1.33 0.00 0.00 58.87 56.26 2k36 n SER 120 Cb 0.00 -1.09 -0.08 0.00 -0.75 0.00 0.00 64.21 62.29 2k36 n SER 120 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k36 s ARG 121 N -6.35 4.13 0.00 -1.46 1.70 -1.26 -4.65 118.95 111.06 2k36 s ARG 121 Ca 0.16 0.24 0.00 0.00 -0.47 0.00 0.00 55.73 55.66 2k36 s ARG 121 Cb -0.09 -3.58 0.00 0.00 -0.57 0.00 0.00 34.95 30.71 2k36 s ARG 121 CO 0.68 -0.16 0.00 1.19 -1.08 0.00 0.00 175.30 175.94 2k36 n PHE 122 N 4.87 0.00 -4.29 5.89 3.72 -1.26 -4.72 117.46 121.67 2k36 n PHE 122 Ca -0.07 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.12 2k36 n PHE 122 Cb 0.51 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.92 2k36 n PHE 122 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2k36 s GLN 123 N 0.00 0.98 -1.20 -1.08 -1.52 -1.26 -5.04 119.66 110.54 2k36 s GLN 123 Ca 0.00 -0.96 -0.18 0.00 -1.95 0.00 0.00 55.36 52.27 2k36 s GLN 123 Cb 0.00 -1.06 -0.03 0.00 -0.22 0.00 0.00 33.01 31.70 2k36 s GLN 123 CO 0.00 0.25 2.01 0.43 -0.25 0.00 0.00 175.29 177.73 2k36 n SER 124 N 1.43 3.59 -4.76 5.90 7.64 -1.26 -4.82 113.62 121.35 2k36 n SER 124 Ca -0.20 -2.79 -0.38 0.00 1.01 0.00 0.00 58.87 56.51 2k36 n SER 124 Cb 0.54 -1.53 0.01 0.00 -1.01 0.00 0.00 64.21 62.22 2k36 n SER 124 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2k36 s LEU 125 N 3.38 4.01 0.00 -3.43 0.05 -1.26 -4.91 118.68 116.51 2k36 s LEU 125 Ca 0.54 2.60 0.00 0.00 0.05 0.00 0.00 54.13 57.32 2k36 s LEU 125 Cb 0.10 -4.15 0.00 0.00 -2.05 0.00 0.00 46.19 40.10 2k36 s LEU 125 CO 0.03 -1.15 0.00 0.61 -0.55 0.00 0.00 176.35 175.29 2k36 n GLY 126 N 0.61 -0.31 3.53 -3.48 0.00 -1.26 -5.01 105.19 99.27 2k36 n GLY 126 Ca 0.07 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 2k36 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k36 s ASN 127 N -4.00 6.78 0.00 1.61 0.01 -1.26 -4.77 114.94 113.30 2k36 s ASN 127 Ca 0.00 -2.26 0.00 0.00 -0.71 0.00 0.00 52.86 49.89 2k36 s ASN 127 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 2k36 s ASN 127 CO 0.00 -1.14 0.00 2.30 -1.51 0.00 0.00 177.10 176.75 2k36 n ILE 128 N 5.96 0.00 0.21 0.60 -5.35 -1.26 -4.46 119.36 115.06 2k36 n ILE 128 Ca 0.38 0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.94 2k36 n ILE 128 Cb 0.47 -0.52 0.43 0.00 -1.74 0.00 0.00 39.64 38.28 2k36 n ILE 128 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2k36 h THR 129 N 0.00 0.69 0.00 7.28 1.35 -1.88 -2.85 112.91 117.50 2k36 h THR 129 Ca 0.00 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 2k36 h THR 129 Cb 0.00 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2k36 h THR 129 CO 0.00 0.27 0.00 0.47 -0.25 0.00 0.00 175.52 176.01 2k36 n ASP 130 N -3.47 0.00 0.06 5.36 8.00 -1.26 -3.22 116.55 122.02 2k36 n ASP 130 Ca -0.00 0.27 0.12 0.00 0.71 0.00 0.00 54.79 55.88 2k36 n ASP 130 Cb 0.45 -0.42 0.08 0.00 -0.02 0.00 0.00 41.12 41.21 2k36 n ASP 130 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2k36 n LEU 131 N -1.42 0.70 -4.40 0.64 0.00 -1.08 -4.89 117.00 106.55 2k36 n LEU 131 Ca 0.09 0.18 -0.20 0.00 0.00 0.00 0.00 56.01 56.09 2k36 n LEU 131 Cb 0.28 -0.12 -0.10 0.00 0.00 0.00 0.00 43.42 43.47 2k36 n LEU 131 CO 0.24 -0.06 -0.28 0.00 0.00 0.00 0.00 177.39 177.29 2k36 s MET 132 N -3.23 1.54 0.19 1.96 0.23 -1.20 -5.00 119.30 113.79 2k36 s MET 132 Ca 0.03 -1.84 0.08 0.00 -1.03 0.00 0.00 55.69 52.93 2k36 s MET 132 Cb 0.13 -0.70 -0.04 0.00 -1.53 0.00 0.00 34.83 32.68 2k36 s MET 132 CO 0.76 -0.19 -0.15 0.95 -2.03 0.00 0.00 175.02 174.37 2k36 s THR 133 N -3.41 1.68 0.48 3.16 -4.23 -1.26 -4.93 115.64 107.13 2k36 s THR 133 Ca 0.35 -2.10 0.29 0.00 -1.18 0.00 0.00 61.69 59.05 2k36 s THR 133 Cb 0.08 -1.95 0.48 0.00 1.34 0.00 0.00 72.50 72.45 2k36 s THR 133 CO 0.14 -0.54 1.79 -0.78 -0.54 0.00 0.00 174.62 174.69 2k36 h ASP 134 N 2.79 0.19 0.74 3.99 3.58 -1.99 0.52 116.42 126.24 2k36 h ASP 134 Ca -0.39 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.02 2k36 h ASP 134 Cb 1.21 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2k36 h ASP 134 CO 0.59 0.03 -0.41 -0.78 -2.88 0.00 0.00 179.24 175.79 2k36 h ASP 135 N 0.17 0.00 0.92 2.28 3.58 -2.01 -2.42 116.42 118.94 2k36 h ASP 135 Ca 0.58 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.81 2k36 h ASP 135 Cb 1.93 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.96 2k36 h ASP 135 CO -0.14 0.41 -1.02 -1.13 -2.88 0.00 0.00 179.24 174.48 2k36 h ASN 136 N 0.00 0.07 -0.82 2.28 -0.73 -0.42 -3.12 115.58 112.84 2k36 h ASN 136 Ca -0.00 -0.07 0.03 0.00 1.87 0.00 0.00 56.30 58.12 2k36 h ASN 136 Cb 0.89 -0.02 -0.05 0.00 0.27 0.00 0.00 38.32 39.41 2k36 h ASN 136 CO 0.05 1.04 0.54 0.40 -0.37 0.00 0.00 177.43 179.09 2k36 h ILE 137 N 0.01 1.15 -0.49 2.57 5.03 -0.64 0.29 117.51 125.43 2k36 h ILE 137 Ca -0.03 -0.35 -0.04 0.00 -0.12 0.00 0.00 64.86 64.31 2k36 h ILE 137 Cb 1.76 0.02 -0.02 0.00 -3.03 0.00 0.00 36.82 35.56 2k36 h ILE 137 CO 0.14 0.19 0.14 0.78 -0.68 0.00 0.00 178.15 178.72 2k36 h ASN 138 N 1.03 0.73 -0.70 1.72 2.35 -1.47 0.20 115.58 119.44 2k36 h ASN 138 Ca 0.32 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 2k36 h ASN 138 Cb 0.00 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 2k36 h ASN 138 CO -0.09 0.76 0.28 0.40 -1.65 0.00 0.00 177.43 177.12 2k36 h ILE 139 N 0.67 1.25 0.35 2.81 2.04 -1.27 -2.13 117.51 121.23 2k36 h ILE 139 Ca 0.16 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 2k36 h ILE 139 Cb 0.30 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2k36 h ILE 139 CO -0.00 0.31 -0.17 0.25 0.00 0.00 0.00 178.15 178.54 2k36 h LEU 140 N 1.00 -0.40 -0.81 1.44 7.12 0.02 0.33 115.31 124.01 2k36 h LEU 140 Ca 0.23 -0.05 0.17 0.00 0.13 0.00 0.00 57.88 58.36 2k36 h LEU 140 Cb 0.21 0.10 -0.11 0.00 -0.53 0.00 0.00 40.66 40.34 2k36 h LEU 140 CO -0.02 -0.21 0.32 0.40 -0.13 0.00 0.00 178.44 178.81 2k36 h ILE 141 N -0.58 0.59 -0.01 4.05 1.08 -0.53 0.19 117.51 122.31 2k36 h ILE 141 Ca -0.05 -0.15 -0.00 0.00 -0.39 0.00 0.00 64.86 64.27 2k36 h ILE 141 Cb 0.43 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.30 2k36 h ILE 141 CO 0.08 0.08 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.55 2k36 h LEU 142 N 0.43 0.02 -0.31 1.44 4.07 -0.84 0.35 115.31 120.46 2k36 h LEU 142 Ca 0.46 -0.35 0.04 0.00 0.08 0.00 0.00 57.88 58.12 2k36 h LEU 142 Cb 0.77 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.46 2k36 h LEU 142 CO -0.45 0.36 0.08 0.15 -1.08 0.00 0.00 178.44 177.50 2k36 h PHE 143 N -0.33 0.15 -0.48 1.13 3.57 0.25 -2.43 116.94 118.80 2k36 h PHE 143 Ca 0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2k36 h PHE 143 Cb 0.35 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2k36 h PHE 143 CO 0.04 0.05 0.10 -0.07 -2.23 0.00 0.00 178.31 176.21 2k36 h LEU 144 N 0.21 0.75 -2.02 0.59 3.38 -0.86 -3.06 115.31 114.29 2k36 h LEU 144 Ca 0.14 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 57.98 2k36 h LEU 144 Cb 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2k36 h LEU 144 CO -0.17 0.80 0.40 -0.33 0.09 0.00 0.00 178.44 179.23 2k36 h GLU 145 N 0.66 0.00 -0.99 1.13 5.08 0.21 1.25 114.58 121.92 2k36 h GLU 145 Ca 0.15 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.69 2k36 h GLU 145 Cb 0.35 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.51 2k36 h GLU 145 CO 0.00 0.00 0.61 0.87 -1.00 0.00 0.00 179.01 179.50 2k36 h LYS 146 N 0.00 0.70 0.00 2.33 1.57 -1.43 -3.17 116.57 116.57 2k36 h LYS 146 Ca 0.18 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2k36 h LYS 146 Cb 0.98 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2k36 h LYS 146 CO -0.00 0.46 -0.85 1.63 -0.57 0.00 0.00 179.45 180.12 2k36 n LYS 147 N -4.70 1.58 -2.59 3.15 5.02 0.19 -5.02 118.16 115.80 2k36 n LYS 147 Ca 0.22 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.26 2k36 n LYS 147 Cb 0.57 -0.94 0.12 0.00 -0.02 0.00 0.00 35.03 34.76 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 -2.89 2.94 0.00 -0.35 2.01 0.37 -5.03 118.68 115.73 2k36 s LEU 148 Ca -0.00 -0.43 0.00 0.00 0.01 0.00 0.00 54.13 53.70 2k36 s LEU 148 Cb 0.01 -1.83 0.00 0.00 0.01 0.00 0.00 46.19 44.39 2k36 s LEU 148 CO 0.08 -1.98 0.00 -3.20 1.01 0.00 0.00 176.35 172.27