#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 -2.38 -1.31 3.04 0.00 -1.26 -5.05 121.76 114.79 2k36 s ALA 2 Ca 0.00 2.15 -0.11 0.00 0.00 0.00 0.00 51.96 53.99 2k36 s ALA 2 Cb 0.00 -1.95 0.14 0.00 0.00 0.00 0.00 23.12 21.30 2k36 s ALA 2 CO 0.00 -1.00 1.88 2.41 0.00 0.00 0.00 175.76 179.05 2k36 n THR 3 N 5.27 4.12 -2.63 0.00 -1.04 -1.26 -4.98 114.28 113.76 2k36 n THR 3 Ca -0.10 -4.14 -0.40 0.00 -2.04 0.00 0.00 64.05 57.38 2k36 n THR 3 Cb 0.51 -2.43 -0.05 0.00 -1.82 0.00 0.00 70.33 66.54 2k36 n THR 3 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2k36 s LYS 4 N 1.38 4.71 -1.01 -2.82 -2.85 -1.26 -3.49 119.74 114.40 2k36 s LYS 4 Ca 0.42 1.61 0.00 0.00 -1.00 0.00 0.00 55.97 57.00 2k36 s LYS 4 Cb 0.08 -3.17 0.00 0.00 -2.06 0.00 0.00 37.83 32.68 2k36 s LYS 4 CO -0.01 0.34 0.00 1.28 0.10 0.00 0.00 175.35 177.06 2k36 n LEU 5 N 1.22 -0.96 -4.65 2.77 4.77 -1.26 -4.19 117.00 114.70 2k36 n LEU 5 Ca -0.01 0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.71 2k36 n LEU 5 Cb 0.46 -1.65 -0.02 0.00 -2.33 0.00 0.00 43.42 39.88 2k36 n LEU 5 CO 0.51 -0.40 1.01 -0.62 -1.33 0.00 0.00 177.39 176.56 2k36 s ASP 6 N -2.79 6.95 -0.24 -1.43 2.15 -1.15 -4.22 116.67 115.95 2k36 s ASP 6 Ca 0.00 1.35 0.21 0.00 0.43 0.00 0.00 52.55 54.54 2k36 s ASP 6 Cb 0.00 -2.54 0.48 0.00 -0.30 0.00 0.00 42.92 40.56 2k36 s ASP 6 CO 0.00 -0.81 1.18 -1.22 -0.17 0.00 0.00 175.17 174.15 2k36 n TYR 7 N 6.74 0.59 -0.05 -5.34 4.01 -1.26 -5.04 117.16 116.82 2k36 n TYR 7 Ca 0.13 -1.88 -0.01 0.00 -0.16 0.00 0.00 57.90 55.98 2k36 n TYR 7 Cb 0.46 0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 39.55 2k36 n TYR 7 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2k36 n GLU 8 N -0.63 -0.05 0.00 -0.72 1.02 -1.26 -4.76 120.64 114.24 2k36 n GLU 8 Ca 0.02 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 2k36 n GLU 8 Cb 0.84 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 31.29 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 -3.00 0.00 -2.35 1.62 2.03 -1.26 -4.41 116.55 109.18 2k36 n ASP 9 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 2k36 n ASP 9 Cb 0.03 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 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 0.45 -1.05 -0.15 -1.67 0.00 -1.26 -4.83 120.51 111.99 2k36 n ALA 10 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2k36 n ALA 10 Cb 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 19.45 19.48 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 0.84 0.73 -2.85 0.00 3.04 -1.99 -3.42 116.25 112.60 2k36 h VAL 11 Ca -0.02 -0.08 -0.59 0.00 -1.01 0.00 0.00 66.70 65.01 2k36 h VAL 11 Cb 0.04 0.48 0.10 0.00 -2.01 0.00 0.00 31.29 29.91 2k36 h VAL 11 CO 0.01 0.04 0.41 2.22 -1.01 0.00 0.00 177.57 179.24 2k36 n PHE 12 N -5.11 1.91 -0.11 3.17 1.16 -1.26 -4.94 117.46 112.27 2k36 n PHE 12 Ca 0.05 0.58 -0.22 0.00 -1.87 0.00 0.00 57.45 55.99 2k36 n PHE 12 Cb 0.23 -2.37 -0.07 0.00 -1.61 0.00 0.00 39.48 35.66 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 0.71 0.00 1.57 2.97 9.36 -1.26 -4.49 117.16 126.02 2k36 n TYR 13 Ca 0.08 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.43 2k36 n TYR 13 Cb 0.33 -0.77 0.76 0.00 -0.63 0.00 0.00 39.34 39.02 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 -4.16 0.00 -0.18 2.98 3.72 -1.26 -3.16 117.46 115.40 2k36 n PHE 14 Ca -0.40 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 56.91 2k36 n PHE 14 Cb 0.75 -0.05 -0.07 0.00 -0.94 0.00 0.00 39.48 39.17 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 -0.60 -4.37 3.04 -1.97 -2.64 116.25 109.71 2k36 h VAL 15 Ca 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 2k36 h VAL 15 Cb 0.04 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.30 2k36 h VAL 15 CO 0.00 0.00 0.05 -0.67 -1.01 0.00 0.00 177.57 175.94 2k36 n ASP 16 N -4.62 5.55 -0.22 3.17 2.03 -1.19 -1.47 116.55 119.80 2k36 n ASP 16 Ca -0.01 -3.00 0.07 0.00 0.52 0.00 0.00 54.79 52.38 2k36 n ASP 16 Cb 0.22 -0.70 0.34 0.00 -0.72 0.00 0.00 41.12 40.27 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 3.70 0.69 0.00 1.67 3.58 -1.57 -3.42 116.42 121.07 2k36 h ASP 17 Ca 0.05 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2k36 h ASP 17 Cb 2.05 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.96 2k36 h ASP 17 CO 0.54 0.43 0.00 -0.67 -2.88 0.00 0.00 179.24 176.65 2k36 n ASP 18 N -4.50 0.00 -4.54 2.28 -0.08 -1.26 -4.87 116.55 103.58 2k36 n ASP 18 Ca 0.13 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.14 2k36 n ASP 18 Cb 0.28 -0.05 -0.10 0.00 2.34 0.00 0.00 41.12 43.58 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 1.88 0.24 -0.67 -2.85 -1.26 -4.33 119.74 112.75 2k36 s LYS 19 Ca 0.00 -2.09 -0.30 0.00 -1.00 0.00 0.00 55.97 52.58 2k36 s LYS 19 Cb 0.00 -1.28 -0.09 0.00 -2.06 0.00 0.00 37.83 34.40 2k36 s LYS 19 CO 0.00 -0.17 0.97 -1.50 0.10 0.00 0.00 175.35 174.75 2k36 s ILE 20 N -2.97 4.00 0.00 3.79 1.10 -1.26 -4.78 121.20 121.07 2k36 s ILE 20 Ca 0.31 1.98 0.00 0.00 -0.51 0.00 0.00 60.65 62.43 2k36 s ILE 20 Cb 0.08 -4.26 0.00 0.00 0.15 0.00 0.00 42.46 38.43 2k36 s ILE 20 CO 0.15 0.46 0.00 0.00 -2.11 0.00 0.00 174.94 173.44 2k36 s SER 22 N -1.00 4.08 0.24 0.00 0.15 -1.26 -4.92 113.70 111.00 2k36 s SER 22 Ca 0.00 1.38 -0.04 0.00 0.70 0.00 0.00 55.95 57.98 2k36 s SER 22 Cb 0.00 -2.09 0.39 0.00 -1.71 0.00 0.00 66.02 62.62 2k36 s SER 22 CO 0.00 -2.24 1.81 0.03 1.20 0.00 0.00 173.24 174.05 2k36 h ARG 23 N -1.27 0.79 0.00 5.44 3.08 -1.99 -1.37 114.38 119.05 2k36 h ARG 23 Ca -0.48 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2k36 h ARG 23 Cb 1.27 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2k36 h ARG 23 CO 0.57 0.52 0.00 -3.47 -1.07 0.00 0.00 179.97 176.52 2k36 n ASP 24 N -4.73 0.00 -0.01 7.04 -0.08 -1.26 -2.39 116.55 115.12 2k36 n ASP 24 Ca 0.13 0.30 0.10 0.00 -1.51 0.00 0.00 54.79 53.81 2k36 n ASP 24 Cb 0.27 -0.40 -0.14 0.00 2.34 0.00 0.00 41.12 43.19 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 -1.40 0.58 -0.04 1.67 2.88 -0.53 -3.70 113.62 113.09 2k36 n SER 25 Ca 0.05 -0.35 0.13 0.00 -1.33 0.00 0.00 58.87 57.37 2k36 n SER 25 Cb 0.14 1.59 0.45 0.00 -0.75 0.00 0.00 64.21 65.64 2k36 n SER 25 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2k36 n ILE 26 N -1.93 0.00 0.17 2.46 2.08 -1.01 -2.10 119.36 119.03 2k36 n ILE 26 Ca -0.01 -0.02 -0.12 0.00 0.56 0.00 0.00 62.75 63.15 2k36 n ILE 26 Cb 0.45 -0.05 -0.07 0.00 -0.75 0.00 0.00 39.64 39.22 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 0.54 0.00 1.39 1.08 -1.64 -2.90 117.51 116.17 2k36 h ILE 27 Ca 0.00 -0.64 -0.12 0.00 -0.39 0.00 0.00 64.86 63.71 2k36 h ILE 27 Cb 0.47 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 2k36 h ILE 27 CO 0.00 0.10 -0.55 0.44 -0.69 0.00 0.00 178.15 177.45 2k36 h ASP 28 N -0.89 0.00 -0.40 1.72 5.19 -1.71 -3.31 116.42 117.02 2k36 h ASP 28 Ca -0.05 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.39 2k36 h ASP 28 Cb 0.53 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 2k36 h ASP 28 CO 0.08 0.55 0.21 0.25 -3.12 0.00 0.00 179.24 177.21 2k36 h LEU 29 N 0.00 0.32 -1.72 1.55 5.85 -1.37 -0.35 115.31 119.58 2k36 h LEU 29 Ca -0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2k36 h LEU 29 Cb 1.06 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 2k36 h LEU 29 CO 0.07 0.23 0.01 0.40 -0.34 0.00 0.00 178.44 178.81 2k36 h ILE 30 N 0.43 1.08 -0.13 4.05 1.08 -1.60 0.16 117.51 122.58 2k36 h ILE 30 Ca 0.17 -0.30 -0.17 0.00 -0.39 0.00 0.00 64.86 64.16 2k36 h ILE 30 Cb 0.06 0.98 0.01 0.00 -3.07 0.00 0.00 36.82 34.79 2k36 h ILE 30 CO -0.10 0.10 -0.60 -0.78 -0.69 0.00 0.00 178.15 176.08 2k36 h ASP 31 N 0.18 0.75 0.09 1.72 3.58 -1.33 -2.34 116.42 119.06 2k36 h ASP 31 Ca 0.04 -0.63 0.01 0.00 0.42 0.00 0.00 57.03 56.87 2k36 h ASP 31 Cb 0.11 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2k36 h ASP 31 CO 0.00 1.26 -0.11 -0.33 -2.88 0.00 0.00 179.24 177.18 2k36 h GLU 32 N 0.28 -0.23 0.52 0.28 4.39 0.18 -1.12 114.58 118.89 2k36 h GLU 32 Ca -0.04 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2k36 h GLU 32 Cb 1.24 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.95 2k36 h GLU 32 CO 0.12 -0.15 -0.25 -0.92 -1.16 0.00 0.00 179.01 176.65 2k36 h TYR 33 N -0.23 -0.65 -1.00 4.33 3.20 -0.79 0.75 116.97 122.57 2k36 h TYR 33 Ca 0.01 -0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.05 2k36 h TYR 33 Cb 0.23 0.22 -0.11 0.00 1.54 0.00 0.00 36.73 38.61 2k36 h TYR 33 CO -0.13 -0.33 0.60 0.82 -1.64 0.00 0.00 178.16 177.49 2k36 h ILE 34 N -0.94 0.71 -0.04 1.81 1.08 -1.47 0.68 117.51 119.33 2k36 h ILE 34 Ca -0.07 -0.26 -0.19 0.00 -0.39 0.00 0.00 64.86 63.95 2k36 h ILE 34 Cb 0.62 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 2k36 h ILE 34 CO 0.12 0.14 -0.78 0.74 -0.69 0.00 0.00 178.15 177.67 2k36 h THR 35 N 0.76 1.41 -0.42 -0.27 2.02 -0.99 -3.13 112.91 112.30 2k36 h THR 35 Ca 0.57 -2.29 -0.10 0.00 0.77 0.00 0.00 66.41 65.36 2k36 h THR 35 Cb 0.88 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 69.51 2k36 h THR 35 CO -0.38 0.68 -0.16 -0.25 0.37 0.00 0.00 175.52 175.78 2k36 h TRP 36 N 0.21 0.88 -0.07 3.16 7.01 0.28 0.35 115.95 127.77 2k36 h TRP 36 Ca -0.04 -0.18 0.02 0.00 2.11 0.00 0.00 58.89 60.80 2k36 h TRP 36 Cb 1.37 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 28.21 2k36 h TRP 36 CO 0.04 0.89 0.13 0.00 -2.79 0.00 0.00 178.44 176.71 2k36 h ARG 37 N 0.70 0.00 0.06 2.65 2.47 0.29 -1.78 114.38 118.78 2k36 h ARG 37 Ca 0.11 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.60 2k36 h ARG 37 Cb 0.66 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 2k36 h ARG 37 CO 0.05 0.00 -1.20 -0.97 0.56 0.00 0.00 179.97 178.41 2k36 h ASN 38 N 0.00 0.21 -1.01 7.04 -0.73 -1.09 -3.37 115.58 116.64 2k36 h ASN 38 Ca 0.03 -0.77 0.17 0.00 1.87 0.00 0.00 56.30 57.60 2k36 h ASN 38 Cb 0.29 -0.07 -0.10 0.00 0.27 0.00 0.00 38.32 38.71 2k36 h ASN 38 CO -0.00 1.51 0.62 0.45 -0.37 0.00 0.00 177.43 179.63 2k36 h HIS 39 N -0.60 1.10 -0.03 0.67 3.86 -0.15 0.22 115.15 120.22 2k36 h HIS 39 Ca -0.28 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 58.97 2k36 h HIS 39 Cb 1.53 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 29.66 2k36 h HIS 39 CO 0.14 0.30 0.03 0.28 0.86 0.00 0.00 177.93 179.53 2k36 h VAL 40 N 0.83 0.48 0.00 2.45 2.07 -1.59 -1.80 116.25 118.69 2k36 h VAL 40 Ca 0.56 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.08 2k36 h VAL 40 Cb 0.79 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2k36 h VAL 40 CO -0.35 0.00 -0.24 -0.38 0.02 0.00 0.00 177.57 176.62 2k36 n ILE 41 N -3.78 0.57 -0.09 4.57 2.08 0.70 -1.40 119.36 122.01 2k36 n ILE 41 Ca -0.02 0.38 -0.06 0.00 0.56 0.00 0.00 62.75 63.61 2k36 n ILE 41 Cb 0.12 -1.85 0.00 0.00 -0.75 0.00 0.00 39.64 37.16 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 -0.40 0.75 -0.01 1.39 -1.51 -1.41 -0.91 116.25 114.15 2k36 h VAL 42 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 2k36 h VAL 42 Cb 0.24 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 2k36 h VAL 42 CO 0.00 0.01 -0.17 0.49 -1.23 0.00 0.00 177.57 176.67 2k36 n PHE 43 N -5.19 0.00 -3.91 5.19 3.01 -0.68 -4.90 117.46 110.98 2k36 n PHE 43 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.18 2k36 n PHE 43 Cb 0.17 -0.13 0.02 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 -0.66 -3.31 -2.94 4.37 4.05 -0.35 -2.91 115.26 113.51 2k36 n ASN 44 Ca 0.14 -0.84 0.00 0.00 0.45 0.00 0.00 54.58 54.33 2k36 n ASN 44 Cb 0.32 -3.71 0.00 0.00 1.23 0.00 0.00 39.78 37.62 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 -4.53 -0.43 -4.25 1.20 5.02 -0.49 -4.60 118.16 110.07 2k36 n LYS 45 Ca -0.07 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.87 2k36 n LYS 45 Cb 0.57 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.50 2k36 n LYS 45 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2k36 s ASP 46 N -1.59 5.51 0.35 4.39 -1.08 -1.26 -4.81 116.67 118.18 2k36 s ASP 46 Ca 0.00 0.22 0.17 0.00 -0.52 0.00 0.00 52.55 52.42 2k36 s ASP 46 Cb 0.00 -1.61 0.59 0.00 -1.46 0.00 0.00 42.92 40.44 2k36 s ASP 46 CO 0.00 0.38 1.70 -0.29 0.52 0.00 0.00 175.17 177.48 2k36 h ILE 47 N 4.09 0.98 0.00 4.11 6.09 -1.96 -2.83 117.51 127.99 2k36 h ILE 47 Ca -0.52 -1.66 0.00 0.00 -1.37 0.00 0.00 64.86 61.31 2k36 h ILE 47 Cb 1.20 1.99 0.00 0.00 0.47 0.00 0.00 36.82 40.48 2k36 h ILE 47 CO 0.55 0.42 -0.44 0.35 -3.07 0.00 0.00 178.15 175.96 2k36 n THR 48 N -3.56 0.04 -2.22 2.19 -2.24 -1.26 -4.62 114.28 102.60 2k36 n THR 48 Ca -0.00 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 2k36 n THR 48 Cb 0.54 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.83 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 -3.12 5.57 0.00 3.42 0.15 -1.07 -4.74 113.70 113.91 2k36 s SER 49 Ca 0.11 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 55.06 2k36 s SER 49 Cb 0.17 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2k36 s SER 49 CO 0.68 -2.48 0.00 0.00 1.20 0.00 0.00 173.24 172.64 2k36 n GLY 51 N -0.07 1.43 0.08 0.00 0.00 -0.54 -4.84 105.19 101.25 2k36 n GLY 51 Ca 0.00 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.25 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 0.00 -0.80 1.61 3.08 -1.78 -3.43 114.38 113.06 2k36 h ARG 52 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 2k36 h ARG 52 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.93 2k36 h ARG 52 CO 0.00 0.97 0.25 1.25 -1.07 0.00 0.00 179.97 181.37 2k36 h LEU 53 N -1.00 0.11 -0.85 3.04 6.46 -1.80 -2.09 115.31 119.18 2k36 h LEU 53 Ca -0.12 0.15 -0.08 0.00 -0.12 0.00 0.00 57.88 57.70 2k36 h LEU 53 Cb 1.08 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.18 2k36 h LEU 53 CO -0.07 -0.03 -0.06 0.10 -0.62 0.00 0.00 178.44 177.76 2k36 h TYR 54 N 0.31 0.87 -1.11 1.25 -0.00 -1.82 -2.82 116.97 113.65 2k36 h TYR 54 Ca 0.47 -0.14 0.33 0.00 -0.00 0.00 0.00 58.73 59.39 2k36 h TYR 54 Cb 0.83 -0.23 -0.13 0.00 -0.00 0.00 0.00 36.73 37.20 2k36 h TYR 54 CO -0.23 0.83 0.68 0.87 -0.00 0.00 0.00 178.16 180.31 2k36 h LYS 55 N 0.74 0.28 -0.04 0.10 1.79 -1.65 0.12 116.57 117.90 2k36 h LYS 55 Ca 0.13 -0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 58.37 2k36 h LYS 55 Cb 0.53 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2k36 h LYS 55 CO 0.03 0.18 -0.88 1.49 -1.08 0.00 0.00 179.45 179.19 2k36 h GLU 56 N 0.29 0.51 -0.79 3.15 4.57 -1.64 -2.67 114.58 118.00 2k36 h GLU 56 Ca 0.71 -0.49 0.07 0.00 -1.18 0.00 0.00 59.36 58.47 2k36 h GLU 56 Cb 1.87 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 30.53 2k36 h GLU 56 CO -0.45 1.13 0.51 -0.07 -1.18 0.00 0.00 179.01 178.95 2k36 h LEU 57 N 0.32 0.73 -1.50 1.64 -0.00 -0.91 -1.24 115.31 114.35 2k36 h LEU 57 Ca -0.07 0.01 0.12 0.00 -0.00 0.00 0.00 57.88 57.94 2k36 h LEU 57 Cb 1.50 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 41.96 2k36 h LEU 57 CO 0.16 0.47 0.49 0.24 -0.00 0.00 0.00 178.44 179.80 2k36 h MET 58 N 0.83 0.51 0.00 1.13 2.86 -0.88 0.15 114.93 119.53 2k36 h MET 58 Ca 0.34 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2k36 h MET 58 Cb 0.27 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2k36 h MET 58 CO -0.12 0.34 0.00 1.63 1.06 0.00 0.00 176.91 179.82 2k36 n LYS 59 N -4.49 0.13 0.15 1.72 5.02 -0.47 -1.08 118.16 119.13 2k36 n LYS 59 Ca 0.13 0.33 0.13 0.00 -2.02 0.00 0.00 58.31 56.88 2k36 n LYS 59 Cb 0.44 -1.73 0.30 0.00 -0.02 0.00 0.00 35.03 34.02 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 -0.31 2.13 0.04 -0.72 0.22 116.94 118.30 2k36 h PHE 60 Ca 0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 2k36 h PHE 60 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 2k36 h PHE 60 CO 0.00 0.00 -0.28 0.22 -0.60 0.00 0.00 178.31 177.65 2k36 h ASP 61 N 0.00 0.78 -0.00 2.17 1.82 -1.11 -2.72 116.42 117.36 2k36 h ASP 61 Ca 0.00 -0.46 -0.23 0.00 -0.39 0.00 0.00 57.03 55.95 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 1.08 -0.89 -0.78 -1.61 0.00 0.00 179.24 177.04 2k36 h ASP 62 N 0.49 0.79 -0.41 2.28 3.58 -1.40 -0.46 116.42 121.30 2k36 h ASP 62 Ca 0.05 -0.74 -0.01 0.00 0.42 0.00 0.00 57.03 56.75 2k36 h ASP 62 Cb 0.85 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 2k36 h ASP 62 CO 0.07 1.43 0.23 1.62 -2.88 0.00 0.00 179.24 179.71 2k36 h VAL 63 N 0.24 1.15 -0.17 2.25 3.04 -0.65 0.43 116.25 122.54 2k36 h VAL 63 Ca -0.11 -0.39 -0.21 0.00 -1.01 0.00 0.00 66.70 64.98 2k36 h VAL 63 Cb 1.56 0.57 0.01 0.00 -2.01 0.00 0.00 31.29 31.42 2k36 h VAL 63 CO 0.18 0.17 -0.71 0.00 -1.01 0.00 0.00 177.57 176.19 2k36 h ALA 64 N 1.63 0.31 -0.58 3.17 0.00 -1.28 0.18 119.26 122.70 2k36 h ALA 64 Ca 0.16 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.54 2k36 h ALA 64 Cb 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2k36 h ALA 64 CO -0.02 0.64 0.38 0.82 0.00 0.00 0.00 179.25 181.07 2k36 h ILE 65 N 0.50 1.04 -0.11 0.00 2.04 0.11 0.49 117.51 121.58 2k36 h ILE 65 Ca -0.04 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 2k36 h ILE 65 Cb 1.34 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2k36 h ILE 65 CO 0.15 0.11 -0.21 -0.09 0.00 0.00 0.00 178.15 178.11 2k36 h ARG 66 N 0.63 0.35 0.00 2.37 9.65 0.01 -2.61 114.38 124.77 2k36 h ARG 66 Ca 0.24 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2k36 h ARG 66 Cb 0.17 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 2k36 h ARG 66 CO -0.07 0.81 0.00 0.98 2.80 0.00 0.00 179.97 184.49 2k36 n TYR 67 N -4.51 0.00 0.00 2.20 4.19 0.62 -4.31 117.16 115.36 2k36 n TYR 67 Ca -0.07 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.03 2k36 n TYR 67 Cb 0.42 -0.43 0.03 0.00 0.49 0.00 0.00 39.34 39.84 2k36 n TYR 67 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 2k36 h TYR 68 N 0.00 0.75 0.00 2.98 0.05 -0.28 -3.49 116.97 116.98 2k36 h TYR 68 Ca 0.00 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.49 2k36 h TYR 68 Cb 0.00 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.61 2k36 h TYR 68 CO 0.04 1.04 0.00 0.41 -1.05 0.00 0.00 178.16 178.60 2k36 n GLY 69 N 0.37 2.10 0.26 3.88 0.00 -0.63 -4.32 105.19 106.85 2k36 n GLY 69 Ca -0.04 -1.57 -0.01 0.00 0.00 0.00 0.00 46.02 44.40 2k36 n GLY 69 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2k36 h ILE 70 N 0.00 0.94 0.03 -0.61 6.09 -1.82 0.33 117.51 122.47 2k36 h ILE 70 Ca 0.00 -0.23 0.01 0.00 -1.37 0.00 0.00 64.86 63.26 2k36 h ILE 70 Cb 0.00 0.20 -0.01 0.00 0.47 0.00 0.00 36.82 37.48 2k36 h ILE 70 CO 0.00 0.12 -0.05 -0.78 -3.07 0.00 0.00 178.15 174.37 2k36 h ASP 71 N 0.68 -0.14 -0.36 2.19 3.58 -1.91 0.41 116.42 120.86 2k36 h ASP 71 Ca 0.32 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.78 2k36 h ASP 71 Cb 0.24 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2k36 h ASP 71 CO -0.20 -0.08 0.21 0.11 -2.88 0.00 0.00 179.24 176.39 2k36 h LYS 72 N -0.11 0.50 -0.35 0.28 1.79 -1.57 -1.16 116.57 115.96 2k36 h LYS 72 Ca 0.01 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.46 2k36 h LYS 72 Cb 0.12 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 2k36 h LYS 72 CO -0.03 0.39 0.15 0.82 -1.08 0.00 0.00 179.45 179.70 2k36 h ILE 73 N 0.47 0.94 -0.78 1.86 2.04 0.02 0.50 117.51 122.55 2k36 h ILE 73 Ca 0.13 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 66.00 2k36 h ILE 73 Cb 0.03 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 36.63 2k36 h ILE 73 CO -0.02 0.06 0.39 0.78 0.00 0.00 0.00 178.15 179.36 2k36 h ASN 74 N 0.32 0.49 -0.11 1.72 2.35 0.06 0.61 115.58 121.01 2k36 h ASN 74 Ca 0.15 0.08 -0.15 0.00 -0.55 0.00 0.00 56.30 55.83 2k36 h ASN 74 Cb 0.09 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2k36 h ASN 74 CO -0.13 0.25 -0.44 -0.33 -1.65 0.00 0.00 177.43 175.12 2k36 h GLU 75 N 0.61 0.66 0.14 0.81 5.08 0.10 -3.03 114.58 118.95 2k36 h GLU 75 Ca 0.40 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2k36 h GLU 75 Cb 0.50 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2k36 h GLU 75 CO -0.32 0.97 -0.07 0.82 -1.00 0.00 0.00 179.01 179.42 2k36 h ILE 76 N 0.53 1.01 -0.37 3.13 5.03 0.99 -2.48 117.51 125.34 2k36 h ILE 76 Ca 0.04 -1.07 0.07 0.00 -0.12 0.00 0.00 64.86 63.78 2k36 h ILE 76 Cb 0.98 1.63 -0.07 0.00 -3.03 0.00 0.00 36.82 36.33 2k36 h ILE 76 CO 0.09 0.24 -0.08 1.62 -0.68 0.00 0.00 178.15 179.33 2k36 h VAL 77 N -0.73 0.64 -0.10 1.67 3.04 0.10 0.28 116.25 121.14 2k36 h VAL 77 Ca -0.02 -0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.65 2k36 h VAL 77 Cb 0.53 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 2k36 h VAL 77 CO 0.03 0.00 -0.00 -0.33 -1.01 0.00 0.00 177.57 176.26 2k36 h GLU 78 N 0.01 0.14 0.04 4.17 5.08 -1.62 -1.53 114.58 120.87 2k36 h GLU 78 Ca 0.18 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2k36 h GLU 78 Cb 0.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2k36 h GLU 78 CO -0.37 0.17 -0.02 0.00 -1.00 0.00 0.00 179.01 177.78 2k36 h ALA 79 N 1.86 -0.05 -0.46 3.43 0.00 -0.50 -2.18 119.26 121.36 2k36 h ALA 79 Ca 0.04 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2k36 h ALA 79 Cb 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2k36 h ALA 79 CO 0.00 -0.48 0.42 0.52 0.00 0.00 0.00 179.25 179.71 2k36 h MET 80 N -0.14 0.00 0.00 0.00 2.86 -0.31 0.45 114.93 117.80 2k36 h MET 80 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2k36 h MET 80 Cb 0.12 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 2k36 h MET 80 CO 0.01 0.00 -0.12 1.03 1.06 0.00 0.00 176.91 178.89 2k36 h SER 81 N 0.00 0.00 -0.01 1.22 0.87 -0.65 0.11 113.55 115.10 2k36 h SER 81 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2k36 h SER 81 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2k36 h SER 81 CO -0.00 0.12 -0.10 -0.62 -0.53 0.00 0.00 176.83 175.70 2k36 n GLU 82 N -3.47 1.91 -1.93 2.24 -0.58 0.14 -4.21 120.64 114.74 2k36 n GLU 82 Ca -0.01 -1.49 -0.05 0.00 -0.42 0.00 0.00 57.16 55.19 2k36 n GLU 82 Cb 0.28 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 29.67 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 1.33 0.27 2.93 0.62 0.00 0.03 -4.30 105.19 106.06 2k36 n GLY 83 Ca 0.14 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.81 0.30 0.44 1.61 2.15 -1.14 -4.78 116.67 112.43 2k36 s ASP 84 Ca 0.00 0.41 0.06 0.00 0.43 0.00 0.00 52.55 53.45 2k36 s ASP 84 Cb 0.00 0.37 -0.05 0.00 -0.30 0.00 0.00 42.92 42.94 2k36 s ASP 84 CO 0.00 -0.21 0.08 -1.38 -0.17 0.00 0.00 175.17 173.49 2k36 s HIS 85 N 1.89 2.36 -0.31 -5.34 -3.43 -1.26 -3.65 115.29 105.56 2k36 s HIS 85 Ca -0.02 -0.71 0.18 0.00 -0.80 0.00 0.00 55.06 53.71 2k36 s HIS 85 Cb -0.12 -1.81 0.47 0.00 -1.43 0.00 0.00 32.58 29.69 2k36 s HIS 85 CO -0.07 0.27 1.10 2.48 -2.00 0.00 0.00 174.74 176.52 2k36 n TYR 86 N -1.15 0.56 -2.16 0.38 4.11 -1.26 -5.08 117.16 112.56 2k36 n TYR 86 Ca -0.06 -2.38 -0.34 0.00 -0.00 0.00 0.00 57.90 55.11 2k36 n TYR 86 Cb 0.66 0.03 -0.04 0.00 -0.00 0.00 0.00 39.34 40.00 2k36 n TYR 86 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 2k36 s ILE 87 N -2.77 3.49 -0.76 -3.48 -1.09 -1.26 -4.85 121.20 110.49 2k36 s ILE 87 Ca 0.25 -0.10 0.03 0.00 -2.23 0.00 0.00 60.65 58.60 2k36 s ILE 87 Cb 0.40 -4.20 0.23 0.00 -1.58 0.00 0.00 42.46 37.32 2k36 s ILE 87 CO -0.02 -1.14 0.78 -3.20 -1.23 0.00 0.00 174.94 170.14 2k36 n ASN 88 N 12.43 4.00 -1.13 3.58 2.85 -1.26 -5.05 115.26 130.68 2k36 n ASN 88 Ca 0.27 -3.34 0.00 0.00 -0.11 0.00 0.00 54.58 51.41 2k36 n ASN 88 Cb 0.50 -0.83 0.00 0.00 1.24 0.00 0.00 39.78 40.69 2k36 n ASN 88 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2k36 n PHE 89 N 1.41 0.00 0.17 1.20 3.72 -1.26 -5.09 117.46 117.61 2k36 n PHE 89 Ca 0.26 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.59 2k36 n PHE 89 Cb 0.38 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.89 2k36 n PHE 89 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2k36 h THR 90 N 0.66 0.00 -2.58 4.37 1.35 -1.98 -3.50 112.91 111.22 2k36 h THR 90 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2k36 h THR 90 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2k36 h THR 90 CO 0.00 0.00 -0.61 1.17 -0.25 0.00 0.00 175.52 175.83 2k36 n LYS 91 N -3.52 -3.25 0.00 4.72 3.00 -1.26 -4.90 118.16 112.94 2k36 n LYS 91 Ca -0.06 2.37 0.00 0.00 -0.00 0.00 0.00 58.31 60.62 2k36 n LYS 91 Cb 0.18 -2.62 0.00 0.00 0.00 0.00 0.00 35.03 32.58 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 -0.15 0.00 0.00 3.15 0.24 -1.26 -4.75 118.33 115.55 2k36 n VAL 92 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2k36 n VAL 92 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2k36 n VAL 92 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2k36 n HIS 93 N 11.43 0.00 -2.62 6.34 -0.00 -1.26 -3.81 115.22 125.30 2k36 n HIS 93 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.50 2k36 n HIS 93 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.04 2k36 n HIS 93 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2k36 s ASP 94 N -4.00 5.09 -0.00 0.26 -1.08 -1.26 -4.91 116.67 110.77 2k36 s ASP 94 Ca 0.00 -0.08 -0.22 0.00 -0.52 0.00 0.00 52.55 51.73 2k36 s ASP 94 Cb 0.00 -0.70 -0.19 0.00 -1.46 0.00 0.00 42.92 40.58 2k36 s ASP 94 CO 0.00 -1.29 1.21 -0.61 0.52 0.00 0.00 175.17 175.00 2k36 h GLN 95 N -0.06 0.26 -0.20 4.34 4.15 -1.99 0.29 115.11 121.91 2k36 h GLN 95 Ca -0.41 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 58.81 2k36 h GLN 95 Cb 1.29 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 2k36 h GLN 95 CO 0.50 0.80 0.04 1.49 -1.93 0.00 0.00 178.83 179.74 2k36 h GLU 96 N -0.24 0.28 0.14 1.69 4.81 -1.95 -0.12 114.58 119.19 2k36 h GLU 96 Ca -0.00 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 58.91 2k36 h GLU 96 Cb 0.81 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.15 2k36 h GLU 96 CO 0.04 0.27 -1.26 1.03 -0.73 0.00 0.00 179.01 178.36 2k36 h SER 97 N 0.28 0.47 0.28 1.04 0.87 -1.76 -0.40 113.55 114.33 2k36 h SER 97 Ca 0.07 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2k36 h SER 97 Cb 0.12 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2k36 h SER 97 CO -0.00 1.39 -0.44 -0.07 -0.53 0.00 0.00 176.83 177.18 2k36 h LEU 98 N 0.08 -1.24 -0.76 2.23 3.38 0.71 -1.54 115.31 118.17 2k36 h LEU 98 Ca -0.15 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2k36 h LEU 98 Cb 1.99 0.44 -0.04 0.00 0.09 0.00 0.00 40.66 43.15 2k36 h LEU 98 CO 0.21 -0.55 0.39 -0.26 0.09 0.00 0.00 178.44 178.32 2k36 h PHE 99 N -0.78 1.07 -0.47 1.13 -1.00 -1.12 -2.65 116.94 113.13 2k36 h PHE 99 Ca -0.01 -0.04 0.07 0.00 2.81 0.00 0.00 57.97 60.79 2k36 h PHE 99 Cb 0.74 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.94 2k36 h PHE 99 CO -0.31 0.78 0.32 0.00 -1.61 0.00 0.00 178.31 177.49 2k36 h ALA 100 N 1.20 1.99 -0.18 2.45 0.00 -0.80 -0.53 119.26 123.39 2k36 h ALA 100 Ca 0.26 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2k36 h ALA 100 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k36 h ALA 100 CO -0.04 -0.08 -0.17 1.15 0.00 0.00 0.00 179.25 180.11 2k36 h THR 101 N 0.35 1.21 0.27 0.00 2.02 -0.90 -1.79 112.91 114.07 2k36 h THR 101 Ca 0.21 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 2k36 h THR 101 Cb 0.38 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2k36 h THR 101 CO -0.05 0.30 -0.13 0.40 0.37 0.00 0.00 175.52 176.41 2k36 h ILE 102 N 0.28 0.68 -0.55 3.11 5.03 -1.16 -2.98 117.51 121.92 2k36 h ILE 102 Ca 0.05 -0.80 -0.08 0.00 -0.12 0.00 0.00 64.86 63.91 2k36 h ILE 102 Cb 0.47 1.05 -0.02 0.00 -3.03 0.00 0.00 36.82 35.29 2k36 h ILE 102 CO 0.03 0.14 0.01 1.23 -0.68 0.00 0.00 178.15 178.88 2k36 h GLY 103 N -0.85 1.00 1.44 5.37 0.00 -1.31 0.13 103.07 108.85 2k36 h GLY 103 Ca -0.04 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 2k36 h GLY 103 CO 0.06 0.64 0.34 1.19 0.00 0.00 0.00 176.54 178.77 2k36 h ILE 104 N 0.86 1.16 -0.02 2.60 6.09 -1.44 0.38 117.51 127.13 2k36 h ILE 104 Ca 0.16 -0.33 -0.15 0.00 -1.37 0.00 0.00 64.86 63.17 2k36 h ILE 104 Cb 0.49 0.37 -0.02 0.00 0.47 0.00 0.00 36.82 38.13 2k36 h ILE 104 CO 0.02 0.16 -0.67 0.00 -3.07 0.00 0.00 178.15 174.59 2k36 h ALA 106 N 1.25 0.85 -0.09 0.00 0.00 0.10 -2.35 119.26 119.02 2k36 h ALA 106 Ca -0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 2k36 h ALA 106 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2k36 h ALA 106 CO 0.09 0.69 -0.07 -0.22 0.00 0.00 0.00 179.25 179.75 2k36 h LYS 107 N 0.26 0.13 0.02 0.00 1.63 -1.16 -2.37 116.57 115.06 2k36 h LYS 107 Ca 0.00 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 2k36 h LYS 107 Cb 1.05 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2k36 h LYS 107 CO 0.09 0.21 -0.18 0.82 -3.45 0.00 0.00 179.45 176.94 2k36 h ILE 108 N 0.13 1.64 -0.78 2.00 2.04 -1.56 -3.06 117.51 117.92 2k36 h ILE 108 Ca 0.03 -2.11 -0.00 0.00 1.00 0.00 0.00 64.86 63.77 2k36 h ILE 108 Cb 0.21 3.04 -0.04 0.00 -0.74 0.00 0.00 36.82 39.29 2k36 h ILE 108 CO 0.01 0.57 0.47 0.00 0.00 0.00 0.00 178.15 179.20 2k36 h THR 109 N -0.70 1.22 -0.12 -0.27 1.03 -1.26 -2.95 112.91 109.86 2k36 h THR 109 Ca -0.03 -0.47 -0.10 0.00 -0.01 0.00 0.00 66.41 65.80 2k36 h THR 109 Cb 1.03 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 68.23 2k36 h THR 109 CO 0.04 0.23 -0.30 1.05 -0.01 0.00 0.00 175.52 176.52 2k36 h GLU 110 N 1.07 0.41 -0.14 0.00 4.11 -1.55 -3.26 114.58 115.22 2k36 h GLU 110 Ca 0.28 -0.28 0.04 0.00 0.07 0.00 0.00 59.36 59.47 2k36 h GLU 110 Cb -0.05 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k36 h GLU 110 CO -0.05 0.90 0.13 1.25 0.07 0.00 0.00 179.01 181.30 2k36 h HIS 111 N -0.01 0.00 0.00 2.06 2.76 -1.40 -1.10 115.15 117.45 2k36 h HIS 111 Ca -0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 2k36 h HIS 111 Cb 0.91 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.87 2k36 h HIS 111 CO 0.11 0.00 -0.10 -1.49 -1.30 0.00 0.00 177.93 175.15 2k36 h TRP 112 N 0.00 0.00 0.04 5.26 6.55 -1.57 -3.38 115.95 122.85 2k36 h TRP 112 Ca 0.07 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.91 2k36 h TRP 112 Cb 0.33 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.63 2k36 h TRP 112 CO 0.00 0.10 -0.02 0.78 -1.05 0.00 0.00 178.44 178.25 2k36 h GLY 113 N 3.29 -0.06 0.39 1.49 0.00 -1.32 0.22 103.07 107.07 2k36 h GLY 113 Ca -0.00 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.39 2k36 h GLY 113 CO 0.01 -0.02 -0.22 -0.97 0.00 0.00 0.00 176.54 175.34 2k36 h TYR 114 N -0.24 -0.57 -0.34 5.60 0.05 -1.77 -2.57 116.97 117.13 2k36 h TYR 114 Ca -0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2k36 h TYR 114 Cb 0.21 0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2k36 h TYR 114 CO -0.01 -0.30 0.00 0.36 -1.05 0.00 0.00 178.16 177.16 2k36 n LYS 115 N -5.35 2.88 -3.07 4.88 2.85 -1.25 -4.95 118.16 114.15 2k36 n LYS 115 Ca -0.03 -2.07 -0.06 0.00 -1.05 0.00 0.00 58.31 55.09 2k36 n LYS 115 Cb 0.26 -1.29 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 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 0.46 -1.70 -3.18 -1.58 5.02 0.26 -5.00 118.16 112.45 2k36 n LYS 116 Ca 0.12 1.64 -0.31 0.00 -2.02 0.00 0.00 58.31 57.74 2k36 n LYS 116 Cb 0.44 -5.32 -0.04 0.00 -0.02 0.00 0.00 35.03 30.08 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 -2.81 4.86 0.00 -0.18 1.01 0.51 -4.81 121.20 119.78 2k36 s ILE 117 Ca 0.10 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.27 2k36 s ILE 117 Cb -0.02 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2k36 s ILE 117 CO 0.77 -0.28 0.00 -0.24 0.00 0.00 0.00 174.94 175.19 2k36 n SER 118 N -0.70 0.00 0.00 3.58 2.88 -1.26 -4.80 113.62 113.32 2k36 n SER 118 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 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 -0.62 -1.23 0.00 0.00 175.04 173.19 2k36 n GLU 119 N 0.00 0.00 -2.98 -1.46 -0.58 -1.26 -3.31 120.64 111.05 2k36 n GLU 119 Ca 0.00 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.30 2k36 n GLU 119 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 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 0.00 6.97 -0.13 1.62 0.01 -1.26 -4.69 113.70 116.22 2k36 s SER 120 Ca 0.00 -2.80 -0.05 0.00 1.31 0.00 0.00 55.95 54.41 2k36 s SER 120 Cb 0.00 -2.38 0.02 0.00 0.21 0.00 0.00 66.02 63.87 2k36 s SER 120 CO 0.00 -0.79 0.11 0.54 0.41 0.00 0.00 173.24 173.51 2k36 n ARG 121 N 5.61 -2.57 0.26 12.44 1.74 -1.26 -4.58 116.66 128.29 2k36 n ARG 121 Ca 0.32 2.16 0.10 0.00 -0.77 0.00 0.00 57.85 59.66 2k36 n ARG 121 Cb 0.44 -3.49 0.67 0.00 -1.02 0.00 0.00 32.46 29.06 2k36 n ARG 121 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2k36 h PHE 122 N 2.26 0.00 -2.29 -1.55 -1.00 -1.91 -3.40 116.94 109.05 2k36 h PHE 122 Ca -0.25 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.47 2k36 h PHE 122 Cb 0.55 0.00 -0.26 0.00 3.61 0.00 0.00 35.95 39.85 2k36 h PHE 122 CO 0.00 0.10 -0.34 1.14 -1.61 0.00 0.00 178.31 177.61 2k36 s GLN 123 N -4.58 0.38 -0.16 1.51 -2.07 -1.26 -5.05 119.66 108.44 2k36 s GLN 123 Ca -0.04 1.05 -0.06 0.00 -1.82 0.00 0.00 55.36 54.49 2k36 s GLN 123 Cb 0.15 0.35 -0.07 0.00 -1.09 0.00 0.00 33.01 32.34 2k36 s GLN 123 CO 0.63 -0.30 -0.19 0.45 -1.32 0.00 0.00 175.29 174.56 2k36 n SER 124 N 5.40 1.41 -4.30 12.60 2.88 -1.26 -5.05 113.62 125.30 2k36 n SER 124 Ca -0.08 0.15 -0.18 0.00 -1.33 0.00 0.00 58.87 57.43 2k36 n SER 124 Cb 0.49 -0.42 -0.10 0.00 -0.75 0.00 0.00 64.21 63.43 2k36 n SER 124 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2k36 s LEU 125 N -6.68 2.51 -1.46 2.46 2.01 -1.26 -5.04 118.68 111.22 2k36 s LEU 125 Ca -0.22 -0.97 -0.14 0.00 0.01 0.00 0.00 54.13 52.82 2k36 s LEU 125 Cb 0.08 -0.58 0.01 0.00 0.01 0.00 0.00 46.19 45.71 2k36 s LEU 125 CO 0.29 -0.19 2.34 0.61 1.01 0.00 0.00 176.35 180.40 2k36 n GLY 126 N -0.11 4.31 2.10 -3.19 0.00 -1.26 -4.73 105.19 102.31 2k36 n GLY 126 Ca -0.10 -1.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.11 2k36 n GLY 126 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k36 n ASN 127 N 5.71 5.70 0.00 1.61 6.94 -1.26 -3.94 115.26 130.02 2k36 n ASN 127 Ca 0.56 -3.44 0.00 0.00 -0.02 0.00 0.00 54.58 51.69 2k36 n ASN 127 Cb 0.36 -0.91 0.00 0.00 -2.36 0.00 0.00 39.78 36.87 2k36 n ASN 127 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2k36 n ILE 128 N -0.63 0.00 0.24 1.53 2.08 -1.26 -4.18 119.36 117.14 2k36 n ILE 128 Ca 0.50 0.32 0.11 0.00 0.56 0.00 0.00 62.75 64.24 2k36 n ILE 128 Cb 0.99 -1.25 0.60 0.00 -0.75 0.00 0.00 39.64 39.23 2k36 n ILE 128 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2k36 h THR 129 N 0.00 0.62 0.00 1.39 2.02 -1.89 -2.43 112.91 112.63 2k36 h THR 129 Ca 0.00 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2k36 h THR 129 Cb 0.00 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2k36 h THR 129 CO 0.00 0.18 0.00 -0.78 0.37 0.00 0.00 175.52 175.29 2k36 h ASP 130 N 0.00 0.00 1.20 4.18 3.58 -1.81 -2.80 116.42 120.77 2k36 h ASP 130 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k36 h ASP 130 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2k36 h ASP 130 CO 0.02 0.00 0.00 -0.11 -2.88 0.00 0.00 179.24 176.27 2k36 n LEU 131 N -2.65 0.65 0.00 2.28 0.00 -0.91 -4.80 117.00 111.57 2k36 n LEU 131 Ca 0.01 0.59 -0.22 0.00 0.00 0.00 0.00 56.01 56.39 2k36 n LEU 131 Cb 0.25 -0.41 -0.08 0.00 0.00 0.00 0.00 43.42 43.18 2k36 n LEU 131 CO 0.23 -0.26 -0.12 1.15 0.00 0.00 0.00 177.39 178.38 2k36 n MET 132 N -2.14 0.47 -4.22 1.96 0.00 -1.05 -4.84 117.12 107.30 2k36 n MET 132 Ca 0.05 -3.39 -0.18 0.00 0.00 0.00 0.00 57.70 54.17 2k36 n MET 132 Cb 0.36 2.42 -0.11 0.00 0.00 0.00 0.00 33.22 35.89 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 -3.26 1.26 0.58 3.17 -4.23 -1.26 -4.95 115.64 106.94 2k36 s THR 133 Ca 0.33 -1.57 0.30 0.00 -1.18 0.00 0.00 61.69 59.57 2k36 s THR 133 Cb 0.02 -1.37 0.43 0.00 1.34 0.00 0.00 72.50 72.91 2k36 s THR 133 CO 0.23 -0.34 1.81 -0.78 -0.54 0.00 0.00 174.62 175.00 2k36 h ASP 134 N 3.80 0.00 0.43 3.99 3.58 -1.97 0.69 116.42 126.93 2k36 h ASP 134 Ca -0.40 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 56.91 2k36 h ASP 134 Cb 1.19 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 2k36 h ASP 134 CO 0.47 0.00 -0.58 -0.78 -2.88 0.00 0.00 179.24 175.46 2k36 h ASP 135 N 0.00 0.18 0.98 2.28 3.58 -2.00 -2.93 116.42 118.52 2k36 h ASP 135 Ca 0.34 -0.10 -0.17 0.00 0.42 0.00 0.00 57.03 57.52 2k36 h ASP 135 Cb 1.66 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.63 2k36 h ASP 135 CO -0.00 0.73 -0.80 -1.13 -2.88 0.00 0.00 179.24 175.15 2k36 h ASN 136 N 0.12 0.00 -1.00 2.28 -0.73 -0.07 -2.82 115.58 113.36 2k36 h ASN 136 Ca -0.00 0.00 0.11 0.00 1.87 0.00 0.00 56.30 58.28 2k36 h ASN 136 Cb 1.06 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 39.57 2k36 h ASN 136 CO 0.09 0.80 0.63 0.40 -0.37 0.00 0.00 177.43 178.97 2k36 h ILE 137 N 0.00 0.93 -0.51 2.57 5.03 -0.92 0.16 117.51 124.78 2k36 h ILE 137 Ca -0.01 -0.34 -0.08 0.00 -0.12 0.00 0.00 64.86 64.31 2k36 h ILE 137 Cb 1.50 -0.16 -0.02 0.00 -3.03 0.00 0.00 36.82 35.12 2k36 h ILE 137 CO 0.10 0.18 0.02 0.78 -0.68 0.00 0.00 178.15 178.56 2k36 h ASN 138 N 1.00 0.86 -0.59 1.72 2.35 -1.52 0.17 115.58 119.58 2k36 h ASN 138 Ca 0.49 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 2k36 h ASN 138 Cb 0.46 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 2k36 h ASN 138 CO -0.26 0.94 0.23 0.40 -1.65 0.00 0.00 177.43 177.09 2k36 h ILE 139 N 0.75 1.23 0.12 2.81 5.03 -1.24 -1.94 117.51 124.28 2k36 h ILE 139 Ca 0.15 -0.73 -0.01 0.00 -0.12 0.00 0.00 64.86 64.15 2k36 h ILE 139 Cb 0.49 0.61 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 2k36 h ILE 139 CO 0.02 0.28 -0.06 0.25 -0.68 0.00 0.00 178.15 177.96 2k36 h LEU 140 N 0.81 -0.14 -0.70 1.44 7.12 -0.31 0.48 115.31 124.01 2k36 h LEU 140 Ca 0.19 -0.18 0.14 0.00 0.13 0.00 0.00 57.88 58.16 2k36 h LEU 140 Cb 0.22 0.04 -0.10 0.00 -0.53 0.00 0.00 40.66 40.29 2k36 h LEU 140 CO -0.01 0.11 0.20 0.40 -0.13 0.00 0.00 178.44 179.00 2k36 h ILE 141 N -0.39 0.59 0.01 4.05 1.08 -0.60 0.10 117.51 122.35 2k36 h ILE 141 Ca -0.02 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2k36 h ILE 141 Cb 0.32 0.25 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 0.00 178.15 177.47 2k36 h LEU 142 N 0.31 -0.01 -0.38 1.44 4.07 -0.92 0.38 115.31 120.20 2k36 h LEU 142 Ca 0.38 -0.36 0.04 0.00 0.08 0.00 0.00 57.88 58.02 2k36 h LEU 142 Cb 0.61 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.31 2k36 h LEU 142 CO -0.45 0.36 0.15 0.15 -1.08 0.00 0.00 178.44 177.58 2k36 h PHE 143 N -0.37 0.28 -0.36 1.13 3.57 0.42 -2.39 116.94 119.22 2k36 h PHE 143 Ca -0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2k36 h PHE 143 Cb 0.37 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2k36 h PHE 143 CO 0.05 0.13 0.01 -0.07 -2.23 0.00 0.00 178.31 176.20 2k36 h LEU 144 N 0.33 0.61 -1.99 0.59 3.38 -0.73 -3.02 115.31 114.48 2k36 h LEU 144 Ca 0.17 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.93 2k36 h LEU 144 Cb 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2k36 h LEU 144 CO -0.15 0.76 0.41 -0.33 0.09 0.00 0.00 178.44 179.21 2k36 h GLU 145 N 0.45 0.00 -1.01 1.13 5.08 0.27 1.41 114.58 121.91 2k36 h GLU 145 Ca 0.10 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.70 2k36 h GLU 145 Cb 0.44 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.58 2k36 h GLU 145 CO 0.02 0.00 0.62 0.87 -1.00 0.00 0.00 179.01 179.52 2k36 h LYS 146 N 0.00 0.54 0.00 2.33 1.79 -1.37 -3.18 116.57 116.68 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 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 2k36 h LYS 146 CO -0.00 0.35 -0.25 1.63 -1.08 0.00 0.00 179.45 180.10 2k36 n LYS 147 N -4.76 4.41 -3.02 3.15 5.02 0.25 -5.04 118.16 118.17 2k36 n LYS 147 Ca 0.25 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.35 2k36 n LYS 147 Cb 0.75 -0.57 0.05 0.00 -0.02 0.00 0.00 35.03 35.25 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 -1.92 3.20 0.00 -0.35 2.01 0.42 -5.04 118.68 116.99 2k36 s LEU 148 Ca 0.00 -0.76 0.00 0.00 0.01 0.00 0.00 54.13 53.38 2k36 s LEU 148 Cb 0.00 -1.82 0.00 0.00 0.01 0.00 0.00 46.19 44.38 2k36 s LEU 148 CO 0.00 -1.26 0.00 -3.20 1.01 0.00 0.00 176.35 172.90