#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 6.18 -2.42 3.04 0.00 -1.26 -4.36 120.51 121.69 2k36 n ALA 2 Ca 0.00 -2.10 -0.13 0.00 0.00 0.00 0.00 53.44 51.21 2k36 n ALA 2 Cb 0.00 -2.12 0.03 0.00 0.00 0.00 0.00 19.45 17.36 2k36 n ALA 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k36 n THR 3 N 1.78 1.92 -0.51 0.00 -1.04 -1.26 -4.81 114.28 110.37 2k36 n THR 3 Ca 0.41 -3.63 -0.15 0.00 -2.04 0.00 0.00 64.05 58.65 2k36 n THR 3 Cb 0.75 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.32 2k36 n THR 3 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2k36 n LYS 4 N -0.64 1.73 0.00 -2.82 2.85 -1.26 -3.60 118.16 114.41 2k36 n LYS 4 Ca 0.26 -1.55 0.11 0.00 -1.05 0.00 0.00 58.31 56.08 2k36 n LYS 4 Cb 0.88 -1.61 -0.03 0.00 -0.65 0.00 0.00 35.03 33.63 2k36 n LYS 4 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k36 n LEU 5 N 0.00 0.90 -4.81 -5.58 4.77 -1.26 -4.90 117.00 106.11 2k36 n LEU 5 Ca 0.30 -0.38 -0.38 0.00 -0.03 0.00 0.00 56.01 55.52 2k36 n LEU 5 Cb 0.83 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.80 2k36 n LEU 5 CO 0.35 0.22 0.29 -1.81 -1.33 0.00 0.00 177.39 175.11 2k36 s ASP 6 N -2.99 7.04 0.06 -1.43 1.01 -1.24 -5.08 116.67 114.05 2k36 s ASP 6 Ca 0.09 1.27 0.04 0.00 0.71 0.00 0.00 52.55 54.65 2k36 s ASP 6 Cb 0.16 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 2k36 s ASP 6 CO 0.82 0.22 0.00 -0.31 0.21 0.00 0.00 175.17 176.11 2k36 s TYR 7 N -1.22 3.03 0.00 4.23 1.51 -1.26 -5.02 117.35 118.62 2k36 s TYR 7 Ca 0.32 0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.40 2k36 s TYR 7 Cb -0.19 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 2k36 s TYR 7 CO 0.20 0.47 0.00 0.39 -1.11 0.00 0.00 175.55 175.50 2k36 n GLU 8 N 0.85 0.00 -3.58 -0.62 1.02 -1.26 -4.68 120.64 112.37 2k36 n GLU 8 Ca -0.12 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.76 2k36 n GLU 8 Cb 0.52 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.94 2k36 n GLU 8 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k36 n ASP 9 N -1.99 -3.82 -3.83 1.62 9.92 -1.26 -4.78 116.55 112.40 2k36 n ASP 9 Ca 0.00 -0.55 -0.42 0.00 -0.53 0.00 0.00 54.79 53.29 2k36 n ASP 9 Cb 0.00 -3.14 -0.02 0.00 -0.64 0.00 0.00 41.12 37.32 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 -3.82 4.47 -0.17 2.24 0.00 -1.26 -4.60 120.51 117.37 2k36 n ALA 10 Ca 0.01 -3.66 -0.09 0.00 0.00 0.00 0.00 53.44 49.70 2k36 n ALA 10 Cb 0.53 -3.57 0.01 0.00 0.00 0.00 0.00 19.45 16.41 2k36 n ALA 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2k36 h VAL 11 N 4.42 1.22 -2.89 0.00 3.04 -2.01 -3.45 116.25 116.59 2k36 h VAL 11 Ca 0.49 -0.73 -0.59 0.00 -1.01 0.00 0.00 66.70 64.87 2k36 h VAL 11 Cb 0.69 0.78 0.13 0.00 -2.01 0.00 0.00 31.29 30.88 2k36 h VAL 11 CO 1.83 0.27 0.08 2.22 -1.01 0.00 0.00 177.57 180.96 2k36 n PHE 12 N -4.53 0.96 -0.11 3.17 1.16 -1.26 -4.95 117.46 111.90 2k36 n PHE 12 Ca 0.01 0.58 -0.22 0.00 -1.87 0.00 0.00 57.45 55.96 2k36 n PHE 12 Cb 0.18 -2.20 -0.09 0.00 -1.61 0.00 0.00 39.48 35.76 2k36 n PHE 12 CO 0.00 0.00 0.00 0.98 -1.87 0.00 0.00 176.76 175.87 2k36 n TYR 13 N -0.46 0.00 1.28 2.97 9.36 -1.26 -4.47 117.16 124.58 2k36 n TYR 13 Ca 0.10 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.46 2k36 n TYR 13 Cb 0.38 -0.83 0.70 0.00 -0.63 0.00 0.00 39.34 38.97 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 -3.75 0.00 -0.28 2.98 3.72 -1.26 -3.25 117.46 115.61 2k36 n PHE 14 Ca -0.43 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.07 2k36 n PHE 14 Cb 0.85 -0.33 0.24 0.00 -0.94 0.00 0.00 39.48 39.30 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 0.37 -0.09 -4.37 3.04 -1.97 -2.21 116.25 111.02 2k36 h VAL 15 Ca 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 2k36 h VAL 15 Cb 0.31 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.73 2k36 h VAL 15 CO 0.00 0.04 0.00 -0.67 -1.01 0.00 0.00 177.57 175.93 2k36 n ASP 16 N -5.22 2.64 -0.15 3.17 -0.08 -1.20 0.20 116.55 115.92 2k36 n ASP 16 Ca 0.18 -2.70 0.12 0.00 -1.51 0.00 0.00 54.79 50.88 2k36 n ASP 16 Cb 0.59 -0.33 0.45 0.00 2.34 0.00 0.00 41.12 44.18 2k36 n ASP 16 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2k36 h ASP 17 N 0.58 0.48 0.00 1.67 3.58 -1.44 -3.40 116.42 117.90 2k36 h ASP 17 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2k36 h ASP 17 Cb 0.94 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2k36 h ASP 17 CO 0.05 0.28 0.00 -0.67 -2.88 0.00 0.00 179.24 176.01 2k36 n ASP 18 N -4.49 0.00 -4.60 2.28 2.03 -1.26 -4.88 116.55 105.63 2k36 n ASP 18 Ca 0.12 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.15 2k36 n ASP 18 Cb 0.39 -0.08 -0.10 0.00 -0.72 0.00 0.00 41.12 40.61 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 1.96 0.15 -0.67 -2.85 -1.26 -4.33 119.74 112.74 2k36 s LYS 19 Ca 0.00 -2.15 -0.29 0.00 -1.00 0.00 0.00 55.97 52.53 2k36 s LYS 19 Cb 0.00 -1.44 -0.07 0.00 -2.06 0.00 0.00 37.83 34.26 2k36 s LYS 19 CO 0.00 -0.17 0.91 -1.50 0.10 0.00 0.00 175.35 174.70 2k36 s ILE 20 N -2.87 4.38 0.00 3.79 1.10 -1.26 -4.69 121.20 121.65 2k36 s ILE 20 Ca 0.28 1.99 0.00 0.00 -0.51 0.00 0.00 60.65 62.41 2k36 s ILE 20 Cb 0.07 -4.28 0.00 0.00 0.15 0.00 0.00 42.46 38.40 2k36 s ILE 20 CO 0.14 0.40 0.00 0.00 -2.11 0.00 0.00 174.94 173.37 2k36 s SER 22 N -0.94 4.72 0.23 0.00 0.15 -1.26 -4.93 113.70 111.67 2k36 s SER 22 Ca 0.00 1.47 -0.06 0.00 0.70 0.00 0.00 55.95 58.06 2k36 s SER 22 Cb 0.00 -2.25 0.36 0.00 -1.71 0.00 0.00 66.02 62.42 2k36 s SER 22 CO 0.00 -1.85 1.78 0.03 1.20 0.00 0.00 173.24 174.40 2k36 h ARG 23 N -1.00 0.59 0.00 5.44 3.08 -1.99 -1.59 114.38 118.90 2k36 h ARG 23 Ca -0.46 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2k36 h ARG 23 Cb 1.25 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2k36 h ARG 23 CO 0.57 0.39 0.00 -3.47 -1.07 0.00 0.00 179.97 176.39 2k36 n ASP 24 N -4.87 0.00 -0.05 7.04 2.03 -1.26 -1.90 116.55 117.54 2k36 n ASP 24 Ca 0.12 -0.11 0.01 0.00 0.52 0.00 0.00 54.79 55.33 2k36 n ASP 24 Cb 0.29 -0.23 -0.16 0.00 -0.72 0.00 0.00 41.12 40.31 2k36 n ASP 24 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2k36 n SER 25 N -1.23 0.04 0.01 1.67 2.88 -0.62 -3.76 113.62 112.61 2k36 n SER 25 Ca 0.10 0.02 0.14 0.00 -1.33 0.00 0.00 58.87 57.80 2k36 n SER 25 Cb 0.13 1.44 0.60 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 -2.52 0.03 0.14 2.46 2.08 -0.80 -0.91 119.36 119.83 2k36 n ILE 26 Ca -0.18 -0.01 -0.12 0.00 0.56 0.00 0.00 62.75 62.99 2k36 n ILE 26 Cb 0.86 -0.49 -0.08 0.00 -0.75 0.00 0.00 39.64 39.18 2k36 n ILE 26 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2k36 h ILE 27 N 0.00 0.69 -0.11 1.39 1.08 -1.63 -2.70 117.51 116.23 2k36 h ILE 27 Ca 0.00 -0.73 -0.16 0.00 -0.39 0.00 0.00 64.86 63.58 2k36 h ILE 27 Cb 0.51 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 2k36 h ILE 27 CO 0.00 0.14 -0.62 0.44 -0.69 0.00 0.00 178.15 177.42 2k36 h ASP 28 N -0.81 0.44 -0.39 1.72 5.19 -1.66 -3.31 116.42 117.59 2k36 h ASP 28 Ca -0.04 -0.25 0.08 0.00 -0.62 0.00 0.00 57.03 56.20 2k36 h ASP 28 Cb 0.51 -0.13 -0.08 0.00 0.18 0.00 0.00 39.33 39.81 2k36 h ASP 28 CO 0.06 0.95 -0.17 0.25 -3.12 0.00 0.00 179.24 177.21 2k36 h LEU 29 N 0.28 -0.58 -1.51 1.55 5.85 -1.02 0.25 115.31 120.13 2k36 h LEU 29 Ca -0.01 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2k36 h LEU 29 Cb 1.15 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 2k36 h LEU 29 CO 0.11 -0.20 0.33 0.40 -0.34 0.00 0.00 178.44 178.73 2k36 h ILE 30 N -0.09 1.13 -0.11 4.05 1.08 -1.56 0.64 117.51 122.65 2k36 h ILE 30 Ca 0.19 -0.24 -0.03 0.00 -0.39 0.00 0.00 64.86 64.40 2k36 h ILE 30 Cb 0.39 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 34.54 2k36 h ILE 30 CO -0.46 0.12 -0.04 -0.78 -0.69 0.00 0.00 178.15 176.30 2k36 h ASP 31 N 0.67 0.22 0.11 1.72 3.58 -1.04 -1.69 116.42 120.00 2k36 h ASP 31 Ca 0.18 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2k36 h ASP 31 Cb -0.08 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 2k36 h ASP 31 CO -0.04 0.58 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.48 2k36 h GLU 32 N -0.13 -0.20 0.59 0.28 4.39 0.36 -2.15 114.58 117.71 2k36 h GLU 32 Ca 0.02 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2k36 h GLU 32 Cb 0.49 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2k36 h GLU 32 CO 0.01 -0.14 -0.28 -0.92 -1.16 0.00 0.00 179.01 176.53 2k36 h TYR 33 N -0.21 -0.73 -0.60 4.33 3.20 0.23 0.79 116.97 123.98 2k36 h TYR 33 Ca -0.00 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 61.99 2k36 h TYR 33 Cb 0.19 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 2k36 h TYR 33 CO -0.10 -0.41 0.42 0.82 -1.64 0.00 0.00 178.16 177.24 2k36 h ILE 34 N -0.92 0.79 0.12 1.81 1.08 -1.38 0.23 117.51 119.25 2k36 h ILE 34 Ca -0.08 -0.07 -0.27 0.00 -0.39 0.00 0.00 64.86 64.04 2k36 h ILE 34 Cb 0.65 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 2k36 h ILE 34 CO 0.13 0.04 -1.24 0.74 -0.69 0.00 0.00 178.15 177.13 2k36 h THR 35 N 0.21 1.50 -0.48 -0.27 2.02 -1.01 -3.29 112.91 111.59 2k36 h THR 35 Ca 0.29 -3.08 -0.09 0.00 0.77 0.00 0.00 66.41 64.30 2k36 h THR 35 Cb 0.84 2.94 -0.02 0.00 -1.74 0.00 0.00 68.15 70.18 2k36 h THR 35 CO -0.05 0.90 -0.06 -0.25 0.37 0.00 0.00 175.52 176.42 2k36 h TRP 36 N 0.07 0.98 -0.23 3.16 7.01 0.30 -0.18 115.95 127.06 2k36 h TRP 36 Ca -0.13 -0.19 0.07 0.00 2.11 0.00 0.00 58.89 60.74 2k36 h TRP 36 Cb 1.97 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 28.77 2k36 h TRP 36 CO 0.06 0.95 0.23 0.00 -2.79 0.00 0.00 178.44 176.88 2k36 h ARG 37 N 0.74 0.00 0.03 2.65 2.47 -0.80 -1.13 114.38 118.33 2k36 h ARG 37 Ca 0.13 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.78 2k36 h ARG 37 Cb 0.59 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.92 2k36 h ARG 37 CO 0.04 0.00 -0.28 -0.97 0.56 0.00 0.00 179.97 179.32 2k36 h ASN 38 N 0.00 0.20 -0.99 7.04 -0.73 -1.28 -3.29 115.58 116.52 2k36 h ASN 38 Ca 0.11 -0.89 0.17 0.00 1.87 0.00 0.00 56.30 57.56 2k36 h ASN 38 Cb 0.56 -0.06 -0.10 0.00 0.27 0.00 0.00 38.32 38.99 2k36 h ASN 38 CO -0.00 1.06 0.62 0.45 -0.37 0.00 0.00 177.43 179.19 2k36 h HIS 39 N -0.64 1.05 -0.14 0.67 3.86 0.11 0.18 115.15 120.24 2k36 h HIS 39 Ca -0.04 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2k36 h HIS 39 Cb 1.13 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 2k36 h HIS 39 CO 0.22 0.30 0.17 0.28 0.86 0.00 0.00 177.93 179.75 2k36 h VAL 40 N 0.81 0.44 0.00 2.45 2.07 -1.40 -1.15 116.25 119.46 2k36 h VAL 40 Ca 0.54 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.06 2k36 h VAL 40 Cb 0.79 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2k36 h VAL 40 CO -0.33 0.00 -0.32 -0.38 0.02 0.00 0.00 177.57 176.57 2k36 n ILE 41 N -3.74 0.66 -0.20 4.57 2.08 0.55 -1.21 119.36 122.06 2k36 n ILE 41 Ca 0.00 0.36 0.01 0.00 0.56 0.00 0.00 62.75 63.68 2k36 n ILE 41 Cb 0.28 -1.90 0.11 0.00 -0.75 0.00 0.00 39.64 37.38 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 -0.45 0.62 0.00 1.39 -1.51 -1.38 -0.50 116.25 114.42 2k36 h VAL 42 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 2k36 h VAL 42 Cb 0.32 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 2k36 h VAL 42 CO 0.00 0.05 -0.55 0.49 -1.23 0.00 0.00 177.57 176.32 2k36 n PHE 43 N -5.14 0.08 -3.79 5.19 3.01 -0.44 -4.87 117.46 111.50 2k36 n PHE 43 Ca 0.09 0.02 -0.25 0.00 1.01 0.00 0.00 57.45 58.33 2k36 n PHE 43 Cb 0.33 -0.30 0.01 0.00 -0.01 0.00 0.00 39.48 39.51 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 -1.60 -1.69 0.00 4.37 4.05 -0.20 -4.41 115.26 115.79 2k36 n ASN 44 Ca 0.05 -0.93 0.00 0.00 0.45 0.00 0.00 54.58 54.15 2k36 n ASN 44 Cb 0.35 -3.53 0.00 0.00 1.23 0.00 0.00 39.78 37.83 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 -4.29 2.75 -4.14 1.20 5.02 -0.35 -4.86 118.16 113.49 2k36 n LYS 45 Ca -0.26 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 55.88 2k36 n LYS 45 Cb 0.66 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.55 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 -1.18 0.88 0.17 4.39 -1.08 -1.26 -4.93 116.67 113.65 2k36 s ASP 46 Ca 0.00 -0.37 0.09 0.00 -0.52 0.00 0.00 52.55 51.75 2k36 s ASP 46 Cb 0.00 -0.02 -0.11 0.00 -1.46 0.00 0.00 42.92 41.33 2k36 s ASP 46 CO 0.00 -0.07 1.34 -0.29 0.52 0.00 0.00 175.17 176.67 2k36 h ILE 47 N 4.69 1.51 0.00 4.11 6.09 -1.98 -3.22 117.51 128.71 2k36 h ILE 47 Ca -0.33 -3.08 0.00 0.00 -1.37 0.00 0.00 64.86 60.08 2k36 h ILE 47 Cb 1.20 2.71 0.00 0.00 0.47 0.00 0.00 36.82 41.20 2k36 h ILE 47 CO 0.45 0.85 -0.24 0.71 -3.07 0.00 0.00 178.15 176.84 2k36 h THR 48 N 0.00 0.00 -0.84 2.19 1.35 -2.01 -3.40 112.91 110.20 2k36 h THR 48 Ca -0.01 -0.71 -0.58 0.00 -0.55 0.00 0.00 66.41 64.56 2k36 h THR 48 Cb 1.64 1.57 -0.08 0.00 -1.73 0.00 0.00 68.15 69.56 2k36 h THR 48 CO 0.11 0.00 1.77 -0.55 -0.25 0.00 0.00 175.52 176.60 2k36 s SER 49 N -5.11 6.35 0.00 5.36 0.15 -1.22 -4.76 113.70 114.47 2k36 s SER 49 Ca 0.07 -1.99 0.00 0.00 0.70 0.00 0.00 55.95 54.73 2k36 s SER 49 Cb 0.10 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2k36 s SER 49 CO 0.67 -1.67 0.00 0.00 1.20 0.00 0.00 173.24 173.44 2k36 n GLY 51 N 0.00 4.16 0.10 0.00 0.00 0.13 -4.78 105.19 104.80 2k36 n GLY 51 Ca 0.00 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 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 0.20 -0.73 1.61 3.08 -1.82 -3.15 114.38 113.57 2k36 h ARG 52 Ca 0.00 -0.09 0.14 0.00 0.07 0.00 0.00 59.98 60.10 2k36 h ARG 52 Cb 0.00 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.95 2k36 h ARG 52 CO 0.00 0.56 0.27 1.25 -1.07 0.00 0.00 179.97 180.99 2k36 h LEU 53 N -0.17 0.24 -0.99 3.04 6.46 -1.84 -1.87 115.31 120.19 2k36 h LEU 53 Ca 0.02 0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.79 2k36 h LEU 53 Cb 0.51 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 2k36 h LEU 53 CO 0.01 0.09 -0.40 1.88 -0.62 0.00 0.00 178.44 179.41 2k36 h TYR 54 N 0.42 0.25 -0.33 1.25 -1.99 -1.75 -2.90 116.97 111.91 2k36 h TYR 54 Ca 0.40 -0.07 -0.03 0.00 2.00 0.00 0.00 58.73 61.03 2k36 h TYR 54 Cb 0.59 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.25 2k36 h TYR 54 CO -0.18 0.59 0.05 0.87 -0.00 0.00 0.00 178.16 179.49 2k36 h LYS 55 N 0.18 0.48 -0.19 4.88 1.79 -1.32 -2.24 116.57 120.16 2k36 h LYS 55 Ca 0.02 -0.08 -0.19 0.00 -2.18 0.00 0.00 60.65 58.22 2k36 h LYS 55 Cb 0.79 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2k36 h LYS 55 CO 0.06 0.47 -0.63 1.49 -1.08 0.00 0.00 179.45 179.76 2k36 h GLU 56 N 0.48 0.67 -0.94 3.15 4.57 -1.52 -2.34 114.58 118.65 2k36 h GLU 56 Ca 0.11 -0.47 0.07 0.00 -1.18 0.00 0.00 59.36 57.89 2k36 h GLU 56 Cb 0.23 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.83 2k36 h GLU 56 CO 0.00 1.09 0.61 -0.07 -1.18 0.00 0.00 179.01 179.46 2k36 h LEU 57 N 0.49 0.93 -1.57 1.64 -0.00 -1.42 -1.25 115.31 114.14 2k36 h LEU 57 Ca -0.01 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 2k36 h LEU 57 Cb 1.22 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 41.66 2k36 h LEU 57 CO 0.13 0.59 0.35 0.24 -0.00 0.00 0.00 178.44 179.74 2k36 h MET 58 N 1.05 0.54 0.00 1.13 2.86 -0.89 0.11 114.93 119.73 2k36 h MET 58 Ca 0.41 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 2k36 h MET 58 Cb 0.23 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2k36 h MET 58 CO -0.16 0.36 0.00 1.63 1.06 0.00 0.00 176.91 179.79 2k36 n LYS 59 N -4.47 0.18 0.14 1.72 5.02 -0.48 -1.38 118.16 118.90 2k36 n LYS 59 Ca 0.07 0.41 0.13 0.00 -2.02 0.00 0.00 58.31 56.90 2k36 n LYS 59 Cb 0.18 -1.85 0.38 0.00 -0.02 0.00 0.00 35.03 33.73 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 0.14 116.94 118.22 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 0.35 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 2k36 h PHE 60 CO 0.00 0.00 -0.30 0.22 -0.60 0.00 0.00 178.31 177.63 2k36 h ASP 61 N 0.00 0.80 -0.10 2.17 3.58 -1.26 -2.75 116.42 118.87 2k36 h ASP 61 Ca 0.00 -0.47 -0.20 0.00 0.42 0.00 0.00 57.03 56.78 2k36 h ASP 61 Cb 0.73 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.57 2k36 h ASP 61 CO 0.00 1.11 -0.71 -0.78 -2.88 0.00 0.00 179.24 175.97 2k36 h ASP 62 N 0.51 0.79 -0.45 2.28 3.58 -1.42 0.12 116.42 121.83 2k36 h ASP 62 Ca 0.05 -0.66 -0.02 0.00 0.42 0.00 0.00 57.03 56.82 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 1.34 0.22 1.62 -2.88 0.00 0.00 179.24 179.62 2k36 h VAL 63 N 0.31 1.17 -0.17 2.25 3.04 -0.83 0.40 116.25 122.41 2k36 h VAL 63 Ca -0.06 -0.49 -0.22 0.00 -1.01 0.00 0.00 66.70 64.92 2k36 h VAL 63 Cb 1.36 0.56 0.01 0.00 -2.01 0.00 0.00 31.29 31.21 2k36 h VAL 63 CO 0.15 0.20 -0.75 0.00 -1.01 0.00 0.00 177.57 176.15 2k36 h ALA 64 N 1.57 0.32 -1.00 3.17 0.00 -1.18 0.16 119.26 122.31 2k36 h ALA 64 Ca 0.17 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.54 2k36 h ALA 64 Cb 0.09 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2k36 h ALA 64 CO -0.02 0.68 0.65 0.82 0.00 0.00 0.00 179.25 181.38 2k36 h ILE 65 N 0.56 1.13 -0.26 0.00 2.04 0.30 0.52 117.51 121.80 2k36 h ILE 65 Ca -0.04 -0.42 -0.14 0.00 1.00 0.00 0.00 64.86 65.26 2k36 h ILE 65 Cb 1.38 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2k36 h ILE 65 CO 0.16 0.22 -0.40 -0.09 0.00 0.00 0.00 178.15 178.03 2k36 h ARG 66 N 1.21 0.72 0.00 2.37 2.43 -0.12 -2.44 114.38 118.56 2k36 h ARG 66 Ca 0.41 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2k36 h ARG 66 Cb 0.09 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2k36 h ARG 66 CO -0.15 1.06 0.00 0.98 -1.51 0.00 0.00 179.97 180.35 2k36 n TYR 67 N -4.18 0.00 -0.03 2.20 4.19 0.54 -4.47 117.16 115.41 2k36 n TYR 67 Ca -0.05 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.03 2k36 n TYR 67 Cb 0.54 -0.42 -0.10 0.00 0.49 0.00 0.00 39.34 39.86 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 0.15 0.00 2.98 0.05 -0.19 -3.50 116.97 116.46 2k36 h TYR 68 Ca 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2k36 h TYR 68 Cb 0.00 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.71 2k36 h TYR 68 CO 0.04 0.67 0.00 0.41 -1.05 0.00 0.00 178.16 178.22 2k36 n GLY 69 N 0.47 3.66 0.30 3.88 0.00 -0.76 -4.56 105.19 108.18 2k36 n GLY 69 Ca -0.08 -1.47 -0.01 0.00 0.00 0.00 0.00 46.02 44.46 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 1.07 -0.05 -0.61 6.09 -1.79 0.43 117.51 122.66 2k36 h ILE 70 Ca 0.00 -0.32 0.01 0.00 -1.37 0.00 0.00 64.86 63.18 2k36 h ILE 70 Cb 0.00 0.07 -0.01 0.00 0.47 0.00 0.00 36.82 37.35 2k36 h ILE 70 CO 0.00 0.17 0.01 -0.78 -3.07 0.00 0.00 178.15 174.48 2k36 h ASP 71 N 0.93 -0.00 -0.46 2.19 3.58 -1.90 0.30 116.42 121.05 2k36 h ASP 71 Ca 0.33 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.80 2k36 h ASP 71 Cb 0.08 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 2k36 h ASP 71 CO -0.14 0.01 0.29 0.11 -2.88 0.00 0.00 179.24 176.63 2k36 h LYS 72 N 0.03 0.57 -0.58 0.28 1.79 -1.57 -0.06 116.57 117.03 2k36 h LYS 72 Ca 0.02 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2k36 h LYS 72 Cb 0.02 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.51 2k36 h LYS 72 CO -0.03 0.38 0.37 0.82 -1.08 0.00 0.00 179.45 179.91 2k36 h ILE 73 N 0.59 1.12 -0.38 1.86 2.04 0.16 0.09 117.51 122.99 2k36 h ILE 73 Ca 0.17 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.83 2k36 h ILE 73 Cb -0.04 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 2k36 h ILE 73 CO -0.05 0.14 0.11 0.78 0.00 0.00 0.00 178.15 179.12 2k36 h ASN 74 N 0.75 0.09 -0.56 1.72 2.35 0.15 0.80 115.58 120.88 2k36 h ASN 74 Ca 0.22 0.05 0.04 0.00 -0.55 0.00 0.00 56.30 56.06 2k36 h ASN 74 Cb -0.04 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 2k36 h ASN 74 CO -0.07 0.08 0.31 -0.33 -1.65 0.00 0.00 177.43 175.78 2k36 h GLU 75 N 0.25 0.58 0.13 0.81 5.08 -0.37 -2.68 114.58 118.37 2k36 h GLU 75 Ca 0.18 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2k36 h GLU 75 Cb 0.18 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k36 h GLU 75 CO -0.20 0.38 -0.06 0.82 -1.00 0.00 0.00 179.01 178.95 2k36 h ILE 76 N 0.60 0.99 -0.03 3.13 5.03 -0.33 -2.57 117.51 124.32 2k36 h ILE 76 Ca 0.24 -1.20 0.03 0.00 -0.12 0.00 0.00 64.86 63.81 2k36 h ILE 76 Cb 0.11 1.66 -0.04 0.00 -3.03 0.00 0.00 36.82 35.51 2k36 h ILE 76 CO -0.14 0.26 -0.18 1.62 -0.68 0.00 0.00 178.15 179.02 2k36 h VAL 77 N -0.81 0.55 -0.63 1.67 3.04 0.60 0.52 116.25 121.18 2k36 h VAL 77 Ca -0.02 0.00 0.10 0.00 -1.01 0.00 0.00 66.70 65.77 2k36 h VAL 77 Cb 0.55 0.55 -0.07 0.00 -2.01 0.00 0.00 31.29 30.31 2k36 h VAL 77 CO 0.03 0.00 0.25 -0.33 -1.01 0.00 0.00 177.57 176.51 2k36 h GLU 78 N -0.28 0.43 -0.69 4.17 5.08 -1.59 -1.14 114.58 120.56 2k36 h GLU 78 Ca 0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2k36 h GLU 78 Cb 0.37 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2k36 h GLU 78 CO -0.20 0.28 0.40 0.00 -1.00 0.00 0.00 179.01 178.49 2k36 h ALA 79 N 1.42 1.40 0.00 3.43 0.00 -0.86 -1.70 119.26 122.95 2k36 h ALA 79 Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2k36 h ALA 79 Cb 0.38 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k36 h ALA 79 CO -0.30 0.51 0.48 0.52 0.00 0.00 0.00 179.25 180.45 2k36 h MET 80 N 0.95 0.00 0.00 0.00 2.86 0.40 0.30 114.93 119.44 2k36 h MET 80 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2k36 h MET 80 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2k36 h MET 80 CO -0.04 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.59 2k36 h SER 81 N 0.00 0.00 1.46 1.22 4.64 -1.36 -0.70 113.55 118.81 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 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2k36 h SER 81 CO 0.00 0.00 0.00 -0.08 -0.87 0.00 0.00 176.83 175.88 2k36 h GLU 82 N 0.00 0.00 -1.94 4.77 4.81 -0.60 -3.40 114.58 118.23 2k36 h GLU 82 Ca 0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 2k36 h GLU 82 Cb 0.52 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.92 2k36 h GLU 82 CO 0.00 0.00 -0.25 0.41 -0.73 0.00 0.00 179.01 178.44 2k36 n GLY 83 N 1.21 0.13 0.00 1.92 0.00 -0.27 -4.99 105.19 103.18 2k36 n GLY 83 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2k36 n GLY 83 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k36 n ASP 84 N 0.04 0.00 -0.81 1.61 -0.08 -1.26 -5.05 116.55 111.00 2k36 n ASP 84 Ca -0.06 -0.72 0.06 0.00 -1.51 0.00 0.00 54.79 52.55 2k36 n ASP 84 Cb 0.56 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.00 2k36 n ASP 84 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2k36 n HIS 85 N 0.00 -2.29 -1.02 -0.67 8.25 -1.26 -4.56 115.22 113.66 2k36 n HIS 85 Ca 0.00 0.52 0.13 0.00 -0.26 0.00 0.00 57.72 58.11 2k36 n HIS 85 Cb 0.00 -0.85 -0.05 0.00 1.12 0.00 0.00 29.99 30.20 2k36 n HIS 85 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2k36 n TYR 86 N -2.15 -2.68 -2.41 4.41 4.02 -1.26 -5.10 117.16 112.00 2k36 n TYR 86 Ca 0.00 1.43 0.00 0.00 -0.01 0.00 0.00 57.90 59.32 2k36 n TYR 86 Cb 0.19 -2.44 0.00 0.00 -0.02 0.00 0.00 39.34 37.08 2k36 n TYR 86 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 2k36 n ILE 87 N -3.74 0.00 -2.03 -0.72 -0.00 -1.26 -5.14 119.36 106.47 2k36 n ILE 87 Ca -0.04 0.00 -0.36 0.00 -0.00 0.00 0.00 62.75 62.35 2k36 n ILE 87 Cb 0.48 0.00 0.03 0.00 -0.00 0.00 0.00 39.64 40.15 2k36 n ILE 87 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 2k36 s ASN 88 N 1.37 5.33 0.59 7.28 0.02 -1.26 -5.03 114.94 123.24 2k36 s ASN 88 Ca 0.00 2.41 -0.06 0.00 -1.02 0.00 0.00 52.86 54.20 2k36 s ASN 88 Cb 0.00 -2.60 0.01 0.00 0.02 0.00 0.00 41.25 38.68 2k36 s ASN 88 CO 0.00 -1.50 0.89 0.72 0.02 0.00 0.00 177.10 177.24 2k36 s PHE 89 N -1.56 3.23 -0.33 2.20 -0.12 -1.26 -5.06 117.98 115.08 2k36 s PHE 89 Ca 0.75 0.61 -0.11 0.00 -0.05 0.00 0.00 56.93 58.13 2k36 s PHE 89 Cb -0.31 -2.74 -0.01 0.00 -0.63 0.00 0.00 43.02 39.33 2k36 s PHE 89 CO 0.34 -0.83 0.19 0.95 -0.05 0.00 0.00 175.22 175.83 2k36 s THR 90 N -2.98 4.88 -0.03 -4.49 -4.23 -1.26 -4.93 115.64 102.60 2k36 s THR 90 Ca 0.54 -0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.65 2k36 s THR 90 Cb -0.11 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.21 2k36 s THR 90 CO 0.45 0.02 -0.08 1.17 -0.54 0.00 0.00 174.62 175.64 2k36 n LYS 91 N 5.03 0.12 -0.94 3.99 4.81 -1.26 -4.26 118.16 125.65 2k36 n LYS 91 Ca -0.13 0.05 -0.11 0.00 -0.87 0.00 0.00 58.31 57.24 2k36 n LYS 91 Cb 0.49 -0.59 -0.16 0.00 0.02 0.00 0.00 35.03 34.80 2k36 n LYS 91 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2k36 n VAL 92 N -3.04 2.84 0.00 3.15 0.24 -1.26 -4.20 118.33 116.06 2k36 n VAL 92 Ca -0.03 -1.40 0.00 0.00 -2.04 0.00 0.00 64.34 60.87 2k36 n VAL 92 Cb 0.11 -1.96 0.00 0.00 -1.47 0.00 0.00 33.84 30.52 2k36 n VAL 92 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2k36 n HIS 93 N 2.48 0.00 -3.71 6.34 8.25 -1.26 -5.15 115.22 122.17 2k36 n HIS 93 Ca 0.40 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.76 2k36 n HIS 93 Cb 0.87 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.94 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 0.96 -0.28 0.31 0.41 -1.08 -1.26 -5.02 116.67 110.71 2k36 s ASP 94 Ca 0.00 -0.43 0.02 0.00 -0.52 0.00 0.00 52.55 51.62 2k36 s ASP 94 Cb 0.00 0.57 0.57 0.00 -1.46 0.00 0.00 42.92 42.60 2k36 s ASP 94 CO 0.00 -1.02 1.90 -0.61 0.52 0.00 0.00 175.17 175.96 2k36 h GLN 95 N 2.21 0.95 -0.62 4.34 4.15 -1.98 0.75 115.11 124.91 2k36 h GLN 95 Ca -0.30 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.05 2k36 h GLN 95 Cb 1.26 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.71 2k36 h GLN 95 CO 0.39 0.63 0.31 1.49 -1.93 0.00 0.00 178.83 179.72 2k36 h GLU 96 N 0.98 0.86 -0.29 1.69 4.81 -1.99 -0.26 114.58 120.38 2k36 h GLU 96 Ca 0.40 -0.10 -0.19 0.00 -0.13 0.00 0.00 59.36 59.35 2k36 h GLU 96 Cb 0.28 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2k36 h GLU 96 CO -0.16 0.65 -0.55 0.77 -0.73 0.00 0.00 179.01 178.99 2k36 h SER 97 N 0.86 0.98 -0.02 1.04 0.02 -1.66 -1.03 113.55 113.74 2k36 h SER 97 Ca 0.22 -0.53 0.03 0.00 -0.84 0.00 0.00 61.79 60.67 2k36 h SER 97 Cb 0.06 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 2k36 h SER 97 CO -0.03 1.33 -0.24 -0.07 -1.14 0.00 0.00 176.83 176.68 2k36 h LEU 98 N 0.67 -0.71 -0.57 5.07 3.38 0.19 0.99 115.31 124.33 2k36 h LEU 98 Ca 0.01 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2k36 h LEU 98 Cb 1.16 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 2k36 h LEU 98 CO 0.12 -0.30 0.07 -0.26 0.09 0.00 0.00 178.44 178.16 2k36 h PHE 99 N -0.36 1.04 -0.33 1.13 0.04 -1.10 -2.39 116.94 114.97 2k36 h PHE 99 Ca 0.07 -0.16 0.06 0.00 2.80 0.00 0.00 57.97 60.74 2k36 h PHE 99 Cb 0.45 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 2k36 h PHE 99 CO -0.29 0.92 0.23 0.00 -0.60 0.00 0.00 178.31 178.57 2k36 h ALA 100 N 0.99 2.08 -0.35 2.45 0.00 -0.67 -1.13 119.26 122.63 2k36 h ALA 100 Ca 0.17 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2k36 h ALA 100 Cb 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2k36 h ALA 100 CO 0.02 -0.15 -0.18 1.15 0.00 0.00 0.00 179.25 180.09 2k36 h THR 101 N 0.18 1.26 0.12 0.00 2.02 -0.28 -2.42 112.91 113.78 2k36 h THR 101 Ca 0.15 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 2k36 h THR 101 Cb 0.36 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2k36 h THR 101 CO -0.02 0.40 -0.06 0.40 0.37 0.00 0.00 175.52 176.61 2k36 h ILE 102 N 0.58 1.02 -0.75 3.11 5.03 -1.19 -3.30 117.51 122.03 2k36 h ILE 102 Ca 0.09 -1.26 -0.03 0.00 -0.12 0.00 0.00 64.86 63.55 2k36 h ILE 102 Cb 0.63 1.73 -0.03 0.00 -3.03 0.00 0.00 36.82 36.12 2k36 h ILE 102 CO 0.04 0.27 0.36 1.23 -0.68 0.00 0.00 178.15 179.37 2k36 h GLY 103 N -0.81 1.16 0.51 5.37 0.00 -1.39 -0.42 103.07 107.49 2k36 h GLY 103 Ca -0.02 -0.58 0.07 0.00 0.00 0.00 0.00 47.33 46.81 2k36 h GLY 103 CO 0.03 0.55 0.23 1.19 0.00 0.00 0.00 176.54 178.54 2k36 h ILE 104 N 1.05 0.84 0.00 2.60 6.09 -1.58 0.11 117.51 126.62 2k36 h ILE 104 Ca 0.26 -0.15 -0.06 0.00 -1.37 0.00 0.00 64.86 63.54 2k36 h ILE 104 Cb 0.12 0.36 -0.01 0.00 0.47 0.00 0.00 36.82 37.77 2k36 h ILE 104 CO -0.03 0.08 -0.27 0.00 -3.07 0.00 0.00 178.15 174.86 2k36 h ALA 106 N 1.73 0.84 0.00 0.00 0.00 0.69 -2.24 119.26 120.28 2k36 h ALA 106 Ca -0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 2k36 h ALA 106 Cb 0.84 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2k36 h ALA 106 CO 0.03 0.65 -0.64 -0.22 0.00 0.00 0.00 179.25 179.08 2k36 h LYS 107 N 0.43 0.00 -0.13 0.00 3.64 -1.17 -2.75 116.57 116.58 2k36 h LYS 107 Ca 0.03 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 2k36 h LYS 107 Cb 0.94 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2k36 h LYS 107 CO 0.08 0.64 -0.10 0.82 -2.27 0.00 0.00 179.45 178.62 2k36 h ILE 108 N 0.00 1.34 -0.04 2.00 2.04 -1.42 -3.00 117.51 118.43 2k36 h ILE 108 Ca -0.01 -1.21 -0.09 0.00 1.00 0.00 0.00 64.86 64.55 2k36 h ILE 108 Cb 1.18 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 2k36 h ILE 108 CO 0.08 0.35 -0.40 0.00 0.00 0.00 0.00 178.15 178.18 2k36 h THR 109 N -0.07 1.30 0.03 -0.27 1.03 -1.40 -3.34 112.91 110.18 2k36 h THR 109 Ca 0.02 -1.43 -0.00 0.00 -0.01 0.00 0.00 66.41 65.00 2k36 h THR 109 Cb 0.60 1.72 0.00 0.00 -1.07 0.00 0.00 68.15 69.40 2k36 h THR 109 CO 0.03 0.41 -0.01 1.05 -0.01 0.00 0.00 175.52 176.99 2k36 h GLU 110 N 0.07 -0.03 -0.12 0.00 4.11 -1.48 -3.36 114.58 113.77 2k36 h GLU 110 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.47 2k36 h GLU 110 Cb 0.74 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 2k36 h GLU 110 CO 0.06 0.51 0.12 1.25 0.07 0.00 0.00 179.01 181.02 2k36 h HIS 111 N -0.98 0.00 0.00 2.06 2.76 -1.65 0.70 115.15 118.05 2k36 h HIS 111 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2k36 h HIS 111 Cb 0.56 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2k36 h HIS 111 CO 0.15 0.00 0.00 -1.49 -1.30 0.00 0.00 177.93 175.29 2k36 h TRP 112 N 0.00 0.00 -0.57 5.26 -0.00 -1.71 -3.18 115.95 115.76 2k36 h TRP 112 Ca 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.90 2k36 h TRP 112 Cb 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.44 2k36 h TRP 112 CO 0.00 0.00 0.17 0.78 -0.00 0.00 0.00 178.44 179.39 2k36 h GLY 113 N 1.38 0.91 0.27 1.49 0.00 -1.05 0.58 103.07 106.66 2k36 h GLY 113 Ca 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 46.87 2k36 h GLY 113 CO 0.00 0.47 -0.29 -0.97 0.00 0.00 0.00 176.54 175.75 2k36 h TYR 114 N 0.83 -0.80 -0.13 5.60 0.05 -1.75 -2.81 116.97 117.96 2k36 h TYR 114 Ca 0.19 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.00 2k36 h TYR 114 Cb 0.25 0.36 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2k36 h TYR 114 CO 0.02 -0.38 0.00 0.36 -1.05 0.00 0.00 178.16 177.11 2k36 n LYS 115 N -5.40 1.33 -2.57 4.88 2.85 -1.24 -4.91 118.16 113.11 2k36 n LYS 115 Ca -0.04 -1.48 -0.05 0.00 -1.05 0.00 0.00 58.31 55.69 2k36 n LYS 115 Cb 0.31 -1.24 0.01 0.00 -0.65 0.00 0.00 35.03 33.46 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 0.63 -2.05 -3.99 -1.58 5.02 0.04 -5.05 118.16 111.18 2k36 n LYS 116 Ca 0.09 1.89 -0.23 0.00 -2.02 0.00 0.00 58.31 58.04 2k36 n LYS 116 Cb 0.34 -4.81 -0.03 0.00 -0.02 0.00 0.00 35.03 30.51 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 -2.15 5.13 0.00 -0.18 1.01 -0.27 -5.02 121.20 119.72 2k36 s ILE 117 Ca 0.17 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2k36 s ILE 117 Cb -0.05 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2k36 s ILE 117 CO 0.62 -0.25 0.00 -0.24 0.00 0.00 0.00 174.94 175.07 2k36 n SER 118 N -1.08 0.00 -0.66 3.58 2.88 -1.26 -4.71 113.62 112.37 2k36 n SER 118 Ca -0.08 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.59 2k36 n SER 118 Cb 0.56 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.38 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 -1.28 1.91 -2.67 -1.46 1.02 -1.26 -4.62 120.64 112.27 2k36 n GLU 119 Ca 0.00 -1.33 -0.43 0.00 -0.02 0.00 0.00 57.16 55.38 2k36 n GLU 119 Cb 0.00 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 29.94 2k36 n GLU 119 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k36 s SER 120 N -2.01 6.81 -0.54 1.62 0.15 -1.26 -4.80 113.70 113.68 2k36 s SER 120 Ca 0.34 -2.36 -0.02 0.00 0.70 0.00 0.00 55.95 54.62 2k36 s SER 120 Cb 0.21 -2.53 0.36 0.00 -1.71 0.00 0.00 66.02 62.35 2k36 s SER 120 CO 0.32 -1.14 2.03 0.54 1.20 0.00 0.00 173.24 176.20 2k36 n ARG 121 N 7.82 2.36 -1.07 5.44 5.12 -1.26 -5.01 116.66 130.06 2k36 n ARG 121 Ca 0.42 -2.65 0.14 0.00 -1.93 0.00 0.00 57.85 53.83 2k36 n ARG 121 Cb 0.46 -2.04 -0.04 0.00 -1.16 0.00 0.00 32.46 29.68 2k36 n ARG 121 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2k36 n PHE 122 N -0.46 -2.71 -3.15 -1.55 3.72 -1.26 -4.91 117.46 107.15 2k36 n PHE 122 Ca 0.51 1.37 -0.23 0.00 -0.05 0.00 0.00 57.45 59.05 2k36 n PHE 122 Cb 0.63 -2.46 0.03 0.00 -0.94 0.00 0.00 39.48 36.75 2k36 n PHE 122 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2k36 n GLN 123 N -3.54 -5.04 -3.71 -1.08 1.13 -1.26 -4.97 117.38 98.91 2k36 n GLN 123 Ca -0.00 0.84 -0.13 0.00 -1.94 0.00 0.00 57.00 55.76 2k36 n GLN 123 Cb 0.49 -5.70 -0.07 0.00 0.11 0.00 0.00 30.24 25.06 2k36 n GLN 123 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2k36 s SER 124 N -2.78 -0.26 0.01 1.08 1.04 -1.26 -5.17 113.70 106.37 2k36 s SER 124 Ca 0.36 0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.84 2k36 s SER 124 Cb -0.16 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 2k36 s SER 124 CO 0.44 -0.55 0.21 -0.76 0.98 0.00 0.00 173.24 173.56 2k36 s LEU 125 N -1.62 4.36 0.00 2.42 1.43 -1.26 -5.07 118.68 118.94 2k36 s LEU 125 Ca -0.10 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2k36 s LEU 125 Cb -0.03 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.47 2k36 s LEU 125 CO 0.02 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.44 2k36 n GLY 126 N 0.81 3.99 2.11 -3.19 0.00 -1.26 -5.04 105.19 102.61 2k36 n GLY 126 Ca -0.09 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 2k36 n GLY 126 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k36 n ASN 127 N 0.00 5.69 0.00 1.61 5.03 -1.26 -4.50 115.26 121.83 2k36 n ASN 127 Ca 0.00 -3.76 0.00 0.00 0.87 0.00 0.00 54.58 51.69 2k36 n ASN 127 Cb 0.00 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.24 2k36 n ASN 127 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2k36 n ILE 128 N -0.77 0.00 0.13 2.41 5.41 -1.26 -4.28 119.36 121.00 2k36 n ILE 128 Ca 0.49 0.17 -0.01 0.00 1.00 0.00 0.00 62.75 64.40 2k36 n ILE 128 Cb 0.88 -1.05 0.12 0.00 -0.71 0.00 0.00 39.64 38.88 2k36 n ILE 128 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2k36 h THR 129 N 0.00 1.35 0.00 1.39 1.35 -1.91 -3.12 112.91 111.97 2k36 h THR 129 Ca 0.00 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 2k36 h THR 129 Cb 0.00 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2k36 h THR 129 CO 0.00 0.64 0.00 0.47 -0.25 0.00 0.00 175.52 176.38 2k36 n ASP 130 N -3.58 0.00 -0.00 5.36 9.92 -1.26 -3.33 116.55 123.66 2k36 n ASP 130 Ca -0.00 -0.54 0.13 0.00 -0.53 0.00 0.00 54.79 53.85 2k36 n ASP 130 Cb 0.69 -0.06 0.45 0.00 -0.64 0.00 0.00 41.12 41.55 2k36 n ASP 130 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2k36 n LEU 131 N -1.06 0.24 -4.59 0.64 0.00 -1.18 -4.83 117.00 106.22 2k36 n LEU 131 Ca 0.15 0.26 -0.27 0.00 0.00 0.00 0.00 56.01 56.15 2k36 n LEU 131 Cb 0.09 -0.38 -0.11 0.00 0.00 0.00 0.00 43.42 43.03 2k36 n LEU 131 CO 0.13 0.06 -0.33 0.00 0.00 0.00 0.00 177.39 177.25 2k36 s MET 132 N -3.00 1.90 0.14 1.96 0.23 -1.21 -4.92 119.30 114.41 2k36 s MET 132 Ca 0.13 -2.04 0.05 0.00 -1.03 0.00 0.00 55.69 52.79 2k36 s MET 132 Cb 0.18 -1.65 -0.04 0.00 -1.53 0.00 0.00 34.83 31.79 2k36 s MET 132 CO 0.61 0.02 -0.11 0.95 -2.03 0.00 0.00 175.02 174.46 2k36 s THR 133 N -2.68 1.19 0.47 3.16 -4.23 -1.26 -5.00 115.64 107.29 2k36 s THR 133 Ca 0.34 -1.97 0.27 0.00 -1.18 0.00 0.00 61.69 59.15 2k36 s THR 133 Cb 0.07 -1.75 0.46 0.00 1.34 0.00 0.00 72.50 72.63 2k36 s THR 133 CO 0.17 -0.67 1.80 -0.78 -0.54 0.00 0.00 174.62 174.60 2k36 h ASP 134 N 2.97 0.22 0.18 3.99 3.58 -1.98 0.49 116.42 125.88 2k36 h ASP 134 Ca -0.37 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.03 2k36 h ASP 134 Cb 1.19 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2k36 h ASP 134 CO 0.60 0.04 -0.34 -0.78 -2.88 0.00 0.00 179.24 175.88 2k36 h ASP 135 N 0.20 0.24 0.91 2.28 3.58 -2.01 -2.54 116.42 119.08 2k36 h ASP 135 Ca 0.56 -0.09 -0.19 0.00 0.42 0.00 0.00 57.03 57.73 2k36 h ASP 135 Cb 1.81 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.76 2k36 h ASP 135 CO -0.15 0.57 -0.90 -1.13 -2.88 0.00 0.00 179.24 174.75 2k36 h ASN 136 N 0.20 0.00 -0.82 2.28 -0.73 -0.47 -2.87 115.58 113.17 2k36 h ASN 136 Ca 0.03 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.22 2k36 h ASN 136 Cb 0.71 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.25 2k36 h ASN 136 CO 0.05 0.90 0.54 0.40 -0.37 0.00 0.00 177.43 178.96 2k36 h ILE 137 N 0.00 1.15 -0.38 2.57 5.03 -0.71 0.12 117.51 125.29 2k36 h ILE 137 Ca -0.01 -0.36 -0.01 0.00 -0.12 0.00 0.00 64.86 64.36 2k36 h ILE 137 Cb 1.60 0.02 -0.02 0.00 -3.03 0.00 0.00 36.82 35.39 2k36 h ILE 137 CO 0.12 0.19 0.20 0.78 -0.68 0.00 0.00 178.15 178.76 2k36 h ASN 138 N 1.05 0.48 -0.71 1.72 2.35 -1.37 0.19 115.58 119.29 2k36 h ASN 138 Ca 0.32 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2k36 h ASN 138 Cb -0.01 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 2k36 h ASN 138 CO -0.09 0.44 0.38 0.40 -1.65 0.00 0.00 177.43 176.91 2k36 h ILE 139 N 0.49 1.22 0.26 2.81 5.03 -1.26 -1.90 117.51 124.16 2k36 h ILE 139 Ca 0.13 -0.58 -0.01 0.00 -0.12 0.00 0.00 64.86 64.28 2k36 h ILE 139 Cb 0.07 0.31 0.00 0.00 -3.03 0.00 0.00 36.82 34.17 2k36 h ILE 139 CO -0.02 0.25 -0.13 0.25 -0.68 0.00 0.00 178.15 177.83 2k36 h LEU 140 N 0.98 -0.30 -0.69 1.44 7.12 -0.37 0.48 115.31 123.98 2k36 h LEU 140 Ca 0.25 -0.11 0.14 0.00 0.13 0.00 0.00 57.88 58.28 2k36 h LEU 140 Cb 0.06 0.08 -0.10 0.00 -0.53 0.00 0.00 40.66 40.17 2k36 h LEU 140 CO -0.04 -0.06 0.16 0.40 -0.13 0.00 0.00 178.44 178.77 2k36 h ILE 141 N -0.54 0.57 -0.01 4.05 1.08 -0.52 0.69 117.51 122.84 2k36 h ILE 141 Ca -0.04 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2k36 h ILE 141 Cb 0.40 0.27 -0.00 0.00 -3.07 0.00 0.00 36.82 34.41 2k36 h ILE 141 CO 0.06 0.05 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.50 2k36 h LEU 142 N 0.27 0.01 -0.54 1.44 4.07 -0.93 0.24 115.31 119.87 2k36 h LEU 142 Ca 0.38 -0.36 0.05 0.00 0.08 0.00 0.00 57.88 58.03 2k36 h LEU 142 Cb 0.61 -0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.30 2k36 h LEU 142 CO -0.47 0.37 0.29 0.15 -1.08 0.00 0.00 178.44 177.70 2k36 h PHE 143 N -0.34 0.53 -0.42 1.13 3.57 0.42 -2.22 116.94 119.60 2k36 h PHE 143 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2k36 h PHE 143 Cb 0.36 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2k36 h PHE 143 CO 0.05 0.26 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.30 2k36 h LEU 144 N 0.55 0.75 -1.99 0.59 3.38 -0.76 -3.05 115.31 114.77 2k36 h LEU 144 Ca 0.24 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.98 2k36 h LEU 144 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2k36 h LEU 144 CO -0.16 0.89 0.40 -0.33 0.09 0.00 0.00 178.44 179.33 2k36 h GLU 145 N 0.59 0.00 -0.86 1.13 5.08 0.11 1.10 114.58 121.72 2k36 h GLU 145 Ca 0.12 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.69 2k36 h GLU 145 Cb 0.52 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.64 2k36 h GLU 145 CO 0.03 0.00 0.31 0.87 -1.00 0.00 0.00 179.01 179.21 2k36 h LYS 146 N 0.00 0.31 0.00 2.33 1.79 -1.40 -2.95 116.57 116.65 2k36 h LYS 146 Ca 0.15 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2k36 h LYS 146 Cb 0.96 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 2k36 h LYS 146 CO -0.00 0.21 -0.43 1.63 -1.08 0.00 0.00 179.45 179.78 2k36 n LYS 147 N -5.12 4.35 -2.93 3.15 4.01 0.21 -5.03 118.16 116.81 2k36 n LYS 147 Ca 0.20 -0.01 -0.20 0.00 -0.51 0.00 0.00 58.31 57.79 2k36 n LYS 147 Cb 0.63 -0.81 0.07 0.00 -0.51 0.00 0.00 35.03 34.41 2k36 n LYS 147 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2k36 s LEU 148 N -2.45 3.12 0.00 -0.35 1.43 0.32 -5.03 118.68 115.72 2k36 s LEU 148 Ca 0.01 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 2k36 s LEU 148 Cb 0.04 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.44 2k36 s LEU 148 CO 0.20 -1.41 0.00 -3.20 0.23 0.00 0.00 176.35 172.17