#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0d s ASN 3 N 0.00 5.71 0.39 3.54 2.20 -1.26 -4.89 114.94 120.63 3h0d s ASN 3 Ca 0.00 1.38 0.11 0.00 -0.94 0.00 0.00 52.86 53.41 3h0d s ASN 3 Cb 0.00 -2.30 0.80 0.00 -2.00 0.00 0.00 41.25 37.75 3h0d s ASN 3 CO 0.00 -1.20 1.91 -0.29 -2.94 0.00 0.00 177.10 174.58 3h0d h ILE 4 N -0.55 1.18 -0.60 0.54 6.09 -2.00 -2.42 117.51 119.75 3h0d h ILE 4 Ca -0.44 -0.84 -0.01 0.00 -1.37 0.00 0.00 64.86 62.20 3h0d h ILE 4 Cb 1.22 1.31 -0.03 0.00 0.47 0.00 0.00 36.82 39.78 3h0d h ILE 4 CO 0.61 0.25 0.34 0.28 -3.07 0.00 0.00 178.15 176.57 3h0d h SER 5 N 0.16 0.75 -0.08 2.19 0.02 -1.94 -0.33 113.55 114.32 3h0d h SER 5 Ca 0.03 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 3h0d h SER 5 Cb 0.41 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3h0d h SER 5 CO 0.03 0.62 -0.32 0.44 -1.14 0.00 0.00 176.83 176.45 3h0d h ASP 6 N 0.82 0.58 -0.18 3.07 3.32 -1.87 -1.11 116.42 121.05 3h0d h ASP 6 Ca 0.21 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 3h0d h ASP 6 Cb 0.03 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3h0d h ASP 6 CO -0.04 0.86 -0.13 0.40 -1.72 0.00 0.00 179.24 178.62 3h0d h ILE 7 N 0.48 1.32 -0.54 0.35 2.04 -1.20 -0.55 117.51 119.41 3h0d h ILE 7 Ca 0.06 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.63 3h0d h ILE 7 Cb 0.79 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 3h0d h ILE 7 CO 0.06 0.37 0.13 0.40 0.00 0.00 0.00 178.15 179.12 3h0d h ILE 8 N 0.07 1.22 0.25 -0.67 2.04 -0.96 -0.55 117.51 118.90 3h0d h ILE 8 Ca 0.03 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3h0d h ILE 8 Cb 0.64 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3h0d h ILE 8 CO 0.03 0.30 -0.12 -0.08 0.00 0.00 0.00 178.15 178.28 3h0d h GLU 9 N 0.79 -0.32 -0.67 2.37 4.81 -1.01 -0.91 114.58 119.63 3h0d h GLU 9 Ca 0.17 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 3h0d h GLU 9 Cb 0.29 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 3h0d h GLU 9 CO -0.00 -0.10 0.45 1.96 -0.73 0.00 0.00 179.01 180.58 3h0d h GLN 10 N -0.49 0.74 -0.20 1.92 1.08 -0.98 0.27 115.11 117.47 3h0d h GLN 10 Ca -0.03 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 3h0d h GLN 10 Cb 0.36 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 3h0d h GLN 10 CO 0.06 0.49 -0.00 -0.92 -0.95 0.00 0.00 178.83 177.50 3h0d h TYR 11 N 0.76 0.38 -0.52 2.96 3.20 -0.80 -0.07 116.97 122.89 3h0d h TYR 11 Ca 0.28 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 3h0d h TYR 11 Cb 0.14 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3h0d h TYR 11 CO -0.00 0.55 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.97 3h0d h LEU 12 N 0.10 0.87 -0.87 2.82 3.38 -0.72 -2.10 115.31 118.80 3h0d h LEU 12 Ca 0.06 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3h0d h LEU 12 Cb 0.40 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3h0d h LEU 12 CO 0.01 0.96 0.18 0.11 0.09 0.00 0.00 178.44 179.78 3h0d h LYS 13 N 0.82 1.02 -0.51 1.13 1.57 -0.80 -0.85 116.57 118.95 3h0d h LYS 13 Ca 0.15 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 3h0d h LYS 13 Cb 0.54 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3h0d h LYS 13 CO 0.03 0.89 -0.13 0.37 -0.57 0.00 0.00 179.45 180.04 3h0d h GLN 14 N 0.97 0.98 -0.73 3.15 5.75 -0.75 -1.66 115.11 122.83 3h0d h GLN 14 Ca 0.21 -0.37 -0.04 0.00 -0.15 0.00 0.00 58.65 58.30 3h0d h GLN 14 Cb 0.32 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 3h0d h GLN 14 CO -0.00 1.05 0.29 0.28 -2.65 0.00 0.00 178.83 177.79 3h0d h VAL 15 N 0.87 1.25 -0.08 2.39 2.07 -0.99 -3.06 116.25 118.69 3h0d h VAL 15 Ca 0.13 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 3h0d h VAL 15 Cb 0.69 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3h0d h VAL 15 CO 0.05 0.32 0.05 -0.07 0.02 0.00 0.00 177.57 177.94 3h0d h LEU 16 N 1.06 0.10 -5.33 2.57 3.38 -0.55 -2.82 115.31 113.73 3h0d h LEU 16 Ca 0.25 -0.05 -0.69 0.00 0.09 0.00 0.00 57.88 57.47 3h0d h LEU 16 Cb 0.21 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 3h0d h LEU 16 CO -0.02 0.12 2.84 -0.46 0.09 0.00 0.00 178.44 181.01 3h0d n ASN 17 N -5.01 8.23 -1.18 -0.43 0.23 -0.68 -4.36 115.26 112.05 3h0d n ASN 17 Ca -0.06 -2.91 0.06 0.00 -0.53 0.00 0.00 54.58 51.14 3h0d n ASN 17 Cb 0.05 -1.43 -0.03 0.00 -2.08 0.00 0.00 39.78 36.28 3h0d n ASN 17 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 3h0d n SER 19 N 2.41 -4.74 -0.04 0.53 2.88 -1.07 -5.06 113.62 108.55 3h0d n SER 19 Ca 0.68 0.96 -0.14 0.00 -1.33 0.00 0.00 58.87 59.04 3h0d n SER 19 Cb 0.26 -3.59 -0.12 0.00 -0.75 0.00 0.00 64.21 60.01 3h0d n SER 19 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3h0d h ASP 20 N -0.70 0.12 -0.19 -3.46 3.32 -1.92 -3.37 116.42 110.23 3h0d h ASP 20 Ca -0.07 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.20 3h0d h ASP 20 Cb 0.71 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3h0d h ASP 20 CO 0.03 0.89 0.00 0.00 -1.72 0.00 0.00 179.24 178.44 3h0d n GLN 21 N -4.60 2.35 -3.38 3.56 6.02 -1.26 -4.97 117.38 115.11 3h0d n GLN 21 Ca -0.10 -2.00 -0.18 0.00 -0.01 0.00 0.00 57.00 54.72 3h0d n GLN 21 Cb 0.45 -1.48 0.08 0.00 1.02 0.00 0.00 30.24 30.31 3h0d n GLN 21 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3h0d n ASP 22 N 1.30 -3.87 -3.61 1.08 9.92 -1.26 -4.52 116.55 115.59 3h0d n ASP 22 Ca 0.17 -0.52 -0.13 0.00 -0.53 0.00 0.00 54.79 53.77 3h0d n ASP 22 Cb 0.58 -4.61 -0.12 0.00 -0.64 0.00 0.00 41.12 36.32 3h0d n ASP 22 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3h0d s ILE 23 N -3.31 -0.44 -0.08 0.53 2.07 -1.26 -1.59 121.20 117.13 3h0d s ILE 23 Ca 0.25 0.19 0.04 0.00 -1.41 0.00 0.00 60.65 59.72 3h0d s ILE 23 Cb -0.11 -0.52 -0.01 0.00 0.13 0.00 0.00 42.46 41.95 3h0d s ILE 23 CO 0.65 0.05 -0.20 0.54 -1.91 0.00 0.00 174.94 174.07 3h0d s VAL 24 N 2.43 2.48 -0.14 4.00 0.11 -0.02 -4.97 120.40 124.29 3h0d s VAL 24 Ca 0.03 -0.90 -0.03 0.00 -2.93 0.00 0.00 61.98 58.14 3h0d s VAL 24 Cb -0.13 -1.96 -0.03 0.00 -1.53 0.00 0.00 36.38 32.74 3h0d s VAL 24 CO -0.10 0.56 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.49 3h0d s GLU 25 N -0.12 3.55 0.16 1.54 2.12 -1.26 -1.40 118.70 123.28 3h0d s GLU 25 Ca -0.03 -0.52 0.03 0.00 0.36 0.00 0.00 54.97 54.81 3h0d s GLU 25 Cb -0.14 -2.87 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 3h0d s GLU 25 CO 0.04 0.30 -0.05 0.96 -0.54 0.00 0.00 175.26 175.97 3h0d s ILE 26 N 0.19 0.95 -0.28 -3.70 -4.36 -0.24 -4.98 121.20 108.78 3h0d s ILE 26 Ca -0.02 -2.02 -0.08 0.00 -0.26 0.00 0.00 60.65 58.27 3h0d s ILE 26 Cb -0.14 -1.97 -0.02 0.00 1.25 0.00 0.00 42.46 41.58 3h0d s ILE 26 CO 0.03 -0.63 0.11 -0.75 0.24 0.00 0.00 174.94 173.94 3h0d s LYS 27 N -3.82 3.49 0.15 0.37 2.20 -1.26 -0.51 119.74 120.36 3h0d s LYS 27 Ca 0.20 -0.60 -0.24 0.00 -0.36 0.00 0.00 55.97 54.97 3h0d s LYS 27 Cb 0.04 -3.43 0.02 0.00 -1.51 0.00 0.00 37.83 32.95 3h0d s LYS 27 CO 0.02 -0.30 1.62 -0.09 -0.36 0.00 0.00 175.35 176.24 3h0d h ARG 28 N 8.28 -0.29 -0.64 4.03 2.43 -1.92 -1.95 114.38 124.33 3h0d h ARG 28 Ca -0.35 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 58.95 3h0d h ARG 28 Cb 1.16 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.70 3h0d h ARG 28 CO 0.59 -0.20 0.22 0.66 -1.51 0.00 0.00 179.97 179.74 3h0d h SER 29 N -0.30 0.19 -0.99 -3.80 4.64 -1.94 0.06 113.55 111.41 3h0d h SER 29 Ca 0.13 0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.57 3h0d h SER 29 Cb 0.51 0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.62 3h0d h SER 29 CO -0.40 0.10 0.65 -0.08 -0.87 0.00 0.00 176.83 176.24 3h0d h GLU 30 N 0.39 1.25 -0.01 4.77 4.81 -1.80 -0.06 114.58 123.93 3h0d h GLU 30 Ca 0.33 -0.08 -0.26 0.00 -0.13 0.00 0.00 59.36 59.23 3h0d h GLU 30 Cb 0.45 -0.28 0.02 0.00 0.63 0.00 0.00 28.75 29.56 3h0d h GLU 30 CO -0.35 0.83 -1.02 0.82 -0.73 0.00 0.00 179.01 178.56 3h0d h ILE 31 N 1.28 1.29 -0.62 2.32 1.08 -0.80 -1.47 117.51 120.60 3h0d h ILE 31 Ca 0.38 -2.25 -0.04 0.00 -0.39 0.00 0.00 64.86 62.57 3h0d h ILE 31 Cb -0.05 2.36 -0.03 0.00 -3.07 0.00 0.00 36.82 36.03 3h0d h ILE 31 CO -0.11 0.70 0.24 0.00 -0.69 0.00 0.00 178.15 178.29 3h0d h ALA 32 N 0.45 1.27 0.20 1.87 0.00 -0.66 -1.47 119.26 120.92 3h0d h ALA 32 Ca -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3h0d h ALA 32 Cb 1.67 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3h0d h ALA 32 CO 0.20 0.54 -0.09 -0.97 0.00 0.00 0.00 179.25 178.92 3h0d h ASN 33 N 0.89 -0.22 -0.62 0.00 -0.73 -0.97 -0.57 115.58 113.34 3h0d h ASN 33 Ca 0.21 -0.11 0.14 0.00 1.87 0.00 0.00 56.30 58.40 3h0d h ASN 33 Cb 0.18 0.06 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 3h0d h ASN 33 CO -0.02 -0.02 0.43 0.50 -0.37 0.00 0.00 177.43 177.95 3h0d h LYS 34 N -0.42 0.23 -0.55 6.67 3.64 -0.86 -1.50 116.57 123.78 3h0d h LYS 34 Ca -0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3h0d h LYS 34 Cb 0.32 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3h0d h LYS 34 CO 0.04 0.15 0.00 1.19 -2.27 0.00 0.00 179.45 178.57 3h0d n PHE 35 N -4.44 1.03 -3.69 1.91 3.72 -0.59 -4.98 117.46 110.42 3h0d n PHE 35 Ca 0.11 -0.58 -0.28 0.00 -0.05 0.00 0.00 57.45 56.65 3h0d n PHE 35 Cb 0.52 -0.13 0.03 0.00 -0.94 0.00 0.00 39.48 38.96 3h0d n PHE 35 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3h0d n ARG 36 N 0.90 -2.20 -4.16 -1.08 1.74 -0.32 -4.99 116.66 106.56 3h0d n ARG 36 Ca 0.21 0.51 -0.11 0.00 -0.77 0.00 0.00 57.85 57.69 3h0d n ARG 36 Cb 0.70 -4.50 -0.09 0.00 -1.02 0.00 0.00 32.46 27.55 3h0d n ARG 36 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h0d s VAL 38 N -4.13 4.54 0.23 0.00 -7.23 -1.26 -4.43 120.40 108.11 3h0d s VAL 38 Ca 0.35 1.21 -0.10 0.00 -1.81 0.00 0.00 61.98 61.63 3h0d s VAL 38 Cb 0.06 -3.72 0.25 0.00 0.56 0.00 0.00 36.38 33.53 3h0d s VAL 38 CO 0.11 -0.68 1.64 -0.65 -0.31 0.00 0.00 175.10 175.21 3h0d h PRO 39 N 0.94 0.07 0.00 4.82 0.11 -1.91 -1.27 132.00 134.76 3h0d h PRO 39 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h0d h PRO 39 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3h0d h PRO 39 CO 0.62 0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 3h0d n SER 40 N -5.36 0.00 0.13 -2.05 3.41 -1.26 -1.26 113.62 107.22 3h0d n SER 40 Ca 0.11 -0.11 -0.02 0.00 -0.26 0.00 0.00 58.87 58.58 3h0d n SER 40 Cb 0.40 -0.10 0.15 0.00 -0.26 0.00 0.00 64.21 64.40 3h0d n SER 40 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3h0d h GLN 41 N 0.00 0.02 -0.26 4.33 5.75 -1.60 -2.51 115.11 120.83 3h0d h GLN 41 Ca 0.00 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 3h0d h GLN 41 Cb 0.02 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3h0d h GLN 41 CO 0.00 0.66 -0.02 0.82 -2.65 0.00 0.00 178.83 177.64 3h0d h ILE 42 N 0.01 1.27 -0.88 2.39 1.08 -1.37 -2.10 117.51 117.91 3h0d h ILE 42 Ca -0.01 -0.96 0.08 0.00 -0.39 0.00 0.00 64.86 63.58 3h0d h ILE 42 Cb 1.14 1.38 -0.07 0.00 -3.07 0.00 0.00 36.82 36.20 3h0d h ILE 42 CO 0.09 0.30 0.54 0.78 -0.69 0.00 0.00 178.15 179.17 3h0d h ASN 43 N 0.24 0.82 -0.73 1.72 4.21 -1.62 -1.05 115.58 119.17 3h0d h ASN 43 Ca 0.07 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.59 3h0d h ASN 43 Cb 0.45 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.48 3h0d h ASN 43 CO 0.02 0.49 0.37 0.22 -1.29 0.00 0.00 177.43 177.25 3h0d h TYR 44 N 0.94 1.02 -0.34 1.19 3.20 -1.18 -1.32 116.97 120.48 3h0d h TYR 44 Ca 0.41 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 3h0d h TYR 44 Cb 0.28 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3h0d h TYR 44 CO -0.03 0.74 0.18 0.28 -1.64 0.00 0.00 178.16 177.69 3h0d h VAL 45 N 1.01 1.14 0.27 1.81 2.07 -0.55 -2.42 116.25 119.58 3h0d h VAL 45 Ca 0.25 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3h0d h VAL 45 Cb 0.08 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3h0d h VAL 45 CO -0.04 0.15 -0.18 0.40 0.02 0.00 0.00 177.57 177.92 3h0d h ILE 46 N 0.43 0.62 0.00 4.57 1.08 -1.08 0.14 117.51 123.26 3h0d h ILE 46 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 3h0d h ILE 46 Cb 0.07 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 3h0d h ILE 46 CO -0.02 0.00 0.00 0.78 -0.69 0.00 0.00 178.15 178.22 3h0d h ASN 47 N -0.44 0.00 0.00 1.72 -0.26 -1.23 -0.21 115.58 115.16 3h0d h ASN 47 Ca -0.02 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 3h0d h ASN 47 Cb 0.38 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 3h0d h ASN 47 CO 0.01 0.00 -1.51 0.35 -1.06 0.00 0.00 177.43 175.22 3h0d n THR 48 N -2.81 0.13 0.00 2.81 -2.24 -0.92 -4.81 114.28 106.45 3h0d n THR 48 Ca -0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3h0d n THR 48 Cb 0.21 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3h0d n THR 48 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3h0d n ARG 49 N -1.96 4.03 -2.39 -0.78 1.74 0.46 -4.74 116.66 113.02 3h0d n ARG 49 Ca -0.05 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.79 3h0d n ARG 49 Cb 0.38 -0.51 0.01 0.00 -1.02 0.00 0.00 32.46 31.31 3h0d n ARG 49 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3h0d n PHE 50 N -0.83 3.00 -2.70 -1.55 3.01 -0.10 -4.90 117.46 113.39 3h0d n PHE 50 Ca 0.00 -2.84 -0.23 0.00 1.01 0.00 0.00 57.45 55.39 3h0d n PHE 50 Cb 0.00 -0.17 0.03 0.00 -0.01 0.00 0.00 39.48 39.32 3h0d n PHE 50 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3h0d s THR 51 N -5.05 3.38 0.16 4.37 -4.23 -1.23 -4.60 115.64 108.45 3h0d s THR 51 Ca 0.46 -0.43 -0.15 0.00 -1.18 0.00 0.00 61.69 60.39 3h0d s THR 51 Cb 0.40 -3.29 0.03 0.00 1.34 0.00 0.00 72.50 70.99 3h0d s THR 51 CO -0.11 -0.23 1.76 0.25 -0.54 0.00 0.00 174.62 175.75 3h0d h LEU 52 N 0.10 0.22 -2.40 4.79 6.46 -1.92 -0.59 115.31 121.98 3h0d h LEU 52 Ca -0.45 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.35 3h0d h LEU 52 Cb 1.27 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 3h0d h LEU 52 CO 0.57 0.17 0.10 -0.08 -0.62 0.00 0.00 178.44 178.57 3h0d h GLU 53 N 0.35 0.00 -0.01 1.25 4.22 -1.95 0.23 114.58 118.67 3h0d h GLU 53 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.62 3h0d h GLU 53 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3h0d h GLU 53 CO -0.15 0.00 -0.47 0.54 -2.18 0.00 0.00 179.01 176.75 3h0d n ARG 54 N -2.85 1.26 0.00 1.92 5.12 -0.29 -4.98 116.66 116.84 3h0d n ARG 54 Ca -0.02 -0.94 0.00 0.00 -1.93 0.00 0.00 57.85 54.96 3h0d n ARG 54 Cb 0.15 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 3h0d n ARG 54 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3h0d n GLY 55 N 1.38 1.56 3.06 -0.13 0.00 0.80 -4.90 105.19 106.97 3h0d n GLY 55 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 3h0d n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h0d s TYR 56 N -2.00 0.55 -0.01 1.61 1.51 -0.95 -0.39 117.35 117.67 3h0d s TYR 56 Ca 0.00 -0.72 0.07 0.00 -1.01 0.00 0.00 57.07 55.41 3h0d s TYR 56 Cb 0.00 -0.35 -0.02 0.00 -0.11 0.00 0.00 41.96 41.48 3h0d s TYR 56 CO 0.00 -0.20 -0.23 0.42 -1.11 0.00 0.00 175.55 174.44 3h0d s ILE 57 N -2.40 1.80 -0.01 2.71 1.01 -1.26 -2.89 121.20 120.16 3h0d s ILE 57 Ca -0.04 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.61 3h0d s ILE 57 Cb -0.03 -1.50 -0.00 0.00 0.01 0.00 0.00 42.46 40.94 3h0d s ILE 57 CO -0.03 0.47 -0.06 -0.69 0.00 0.00 0.00 174.94 174.62 3h0d s VAL 58 N -0.57 0.51 0.11 2.92 1.01 -1.26 -4.43 120.40 118.69 3h0d s VAL 58 Ca 0.09 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3h0d s VAL 58 Cb -0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3h0d s VAL 58 CO -0.00 0.15 -0.06 -1.83 0.00 0.00 0.00 175.10 173.36 3h0d s GLU 59 N -0.02 0.88 0.25 2.72 -1.05 -0.45 -4.98 118.70 116.05 3h0d s GLU 59 Ca 0.01 -1.37 -0.15 0.00 -0.15 0.00 0.00 54.97 53.32 3h0d s GLU 59 Cb -0.04 -0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.42 3h0d s GLU 59 CO -0.00 -0.03 0.53 -1.54 0.95 0.00 0.00 175.26 175.17 3h0d s SER 60 N -3.07 -0.13 -0.16 0.83 1.04 -1.26 0.26 113.70 111.22 3h0d s SER 60 Ca 0.14 -0.85 -0.09 0.00 0.48 0.00 0.00 55.95 55.62 3h0d s SER 60 Cb 0.05 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.84 3h0d s SER 60 CO -0.03 -1.18 0.38 -0.75 0.98 0.00 0.00 173.24 172.63 3h0d s LYS 61 N -3.99 0.37 0.81 4.02 2.20 -0.82 -4.99 119.74 117.32 3h0d s LYS 61 Ca 0.20 0.71 -0.05 0.00 -0.36 0.00 0.00 55.97 56.47 3h0d s LYS 61 Cb -0.02 -0.01 0.16 0.00 -1.51 0.00 0.00 37.83 36.45 3h0d s LYS 61 CO 0.08 -0.15 1.11 1.03 -0.36 0.00 0.00 175.35 177.06 3h0d s ARG 62 N 1.24 1.26 0.00 4.03 0.52 -1.26 -1.98 118.95 122.76 3h0d s ARG 62 Ca -0.08 -1.00 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 3h0d s ARG 62 Cb -0.08 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.20 3h0d s ARG 62 CO -0.11 -1.81 0.00 0.41 0.02 0.00 0.00 175.30 173.81 3h0d n GLY 63 N -3.14 -1.12 3.61 -3.53 0.00 -1.26 -4.43 105.19 95.31 3h0d n GLY 63 Ca 0.16 -1.63 -0.48 0.00 0.00 0.00 0.00 46.02 44.07 3h0d n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h0d n GLY 64 N -1.26 0.38 2.25 -0.02 0.00 -1.26 0.22 105.19 105.50 3h0d n GLY 64 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3h0d n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h0d n GLY 65 N 2.25 0.75 3.49 -0.02 0.00 -1.26 -5.02 105.19 105.37 3h0d n GLY 65 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3h0d n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h0d s GLY 66 N -1.95 1.52 -0.07 -0.02 0.00 0.13 -5.05 107.32 101.88 3h0d s GLY 66 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 44.72 43.97 3h0d s GLY 66 CO 0.00 0.35 1.37 -2.52 0.00 0.00 0.00 173.10 172.30 3h0d s TYR 67 N -2.57 -0.00 -0.08 1.90 -0.85 -0.84 -4.79 117.35 110.13 3h0d s TYR 67 Ca 0.68 -0.04 0.02 0.00 -0.52 0.00 0.00 57.07 57.21 3h0d s TYR 67 Cb -0.20 0.52 0.01 0.00 0.38 0.00 0.00 41.96 42.68 3h0d s TYR 67 CO 0.61 -0.10 -0.13 0.42 -1.52 0.00 0.00 175.55 174.83 3h0d s ILE 68 N -2.08 1.22 -0.14 -3.49 1.01 0.33 -1.95 121.20 116.10 3h0d s ILE 68 Ca 0.23 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 3h0d s ILE 68 Cb 0.03 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 3h0d s ILE 68 CO -0.04 0.38 -0.06 -0.13 0.00 0.00 0.00 174.94 175.09 3h0d s ARG 69 N 0.76 3.49 0.42 2.79 0.52 0.14 -1.08 118.95 125.99 3h0d s ARG 69 Ca -0.13 -0.56 0.06 0.00 -0.52 0.00 0.00 55.73 54.59 3h0d s ARG 69 Cb -0.16 -2.81 -0.07 0.00 0.52 0.00 0.00 34.95 32.43 3h0d s ARG 69 CO 0.03 0.30 0.01 0.42 0.02 0.00 0.00 175.30 176.08 3h0d s ILE 70 N 0.19 1.79 0.03 1.52 1.01 -0.50 -1.33 121.20 123.90 3h0d s ILE 70 Ca -0.03 -2.00 0.06 0.00 0.00 0.00 0.00 60.65 58.68 3h0d s ILE 70 Cb -0.14 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.46 3h0d s ILE 70 CO 0.03 0.00 -0.19 -0.75 0.00 0.00 0.00 174.94 174.03 3h0d s LYS 72 N -3.75 1.34 0.09 2.79 2.47 -0.62 -0.84 119.74 121.22 3h0d s LYS 72 Ca 0.31 -0.83 0.07 0.00 -1.56 0.00 0.00 55.97 53.95 3h0d s LYS 72 Cb 0.09 -1.40 -0.03 0.00 -1.46 0.00 0.00 37.83 35.03 3h0d s LYS 72 CO 0.15 0.36 -0.19 0.14 0.16 0.00 0.00 175.35 175.98 3h0d s VAL 73 N -0.71 1.51 -0.04 4.02 -7.23 0.47 -2.63 120.40 115.80 3h0d s VAL 73 Ca 0.06 -1.43 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 3h0d s VAL 73 Cb -0.08 -1.39 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 3h0d s VAL 73 CO 0.01 -0.08 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.87 3h0d s LYS 74 N -1.77 2.60 0.53 4.82 2.20 -0.03 -4.74 119.74 123.34 3h0d s LYS 74 Ca 0.04 -0.66 -0.20 0.00 -0.36 0.00 0.00 55.97 54.80 3h0d s LYS 74 Cb -0.10 -2.49 -0.06 0.00 -1.51 0.00 0.00 37.83 33.67 3h0d s LYS 74 CO 0.03 0.63 1.10 0.95 -0.36 0.00 0.00 175.35 177.71 3h0d s THR 75 N -0.85 3.35 0.69 3.43 -4.23 -1.26 -1.53 115.64 115.25 3h0d s THR 75 Ca 0.14 0.84 -0.05 0.00 -1.18 0.00 0.00 61.69 61.43 3h0d s THR 75 Cb -0.11 -3.33 0.07 0.00 1.34 0.00 0.00 72.50 70.47 3h0d s THR 75 CO 0.03 -0.19 0.99 -0.54 -0.54 0.00 0.00 174.62 174.37 3h0d s LYS 76 N -3.30 2.08 0.13 3.99 1.02 -0.34 -4.82 119.74 118.51 3h0d s LYS 76 Ca 0.71 -0.48 -0.13 0.00 0.02 0.00 0.00 55.97 56.09 3h0d s LYS 76 Cb -0.22 -2.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 3h0d s LYS 76 CO 0.25 -1.25 1.56 0.77 -0.92 0.00 0.00 175.35 175.76 3h0d h SER 77 N -0.53 0.81 0.00 2.83 0.02 -1.96 -2.34 113.55 112.37 3h0d h SER 77 Ca -0.43 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 3h0d h SER 77 Cb 1.30 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3h0d h SER 77 CO 0.55 0.96 0.00 -1.84 -1.14 0.00 0.00 176.83 175.35 3h0d n GLU 78 N -4.33 0.00 0.26 3.45 0.28 -1.26 -2.63 120.64 116.41 3h0d n GLU 78 Ca -0.00 0.24 0.11 0.00 -0.16 0.00 0.00 57.16 57.35 3h0d n GLU 78 Cb 0.34 -1.50 0.69 0.00 1.43 0.00 0.00 31.44 32.40 3h0d n GLU 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3h0d h ALA 79 N 2.01 1.48 -0.02 -1.84 0.00 -1.70 -1.45 119.26 117.74 3h0d h ALA 79 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3h0d h ALA 79 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3h0d h ALA 79 CO 0.00 0.14 -0.58 1.96 0.00 0.00 0.00 179.25 180.77 3h0d h GLN 80 N 0.00 0.07 -0.20 0.00 1.08 -1.73 -0.66 115.11 113.67 3h0d h GLN 80 Ca -0.00 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 3h0d h GLN 80 Cb 0.26 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.69 3h0d h GLN 80 CO 0.01 0.64 -0.24 -0.07 -0.95 0.00 0.00 178.83 178.22 3h0d h LEU 81 N 0.06 0.56 -0.91 1.46 3.38 -1.52 -2.70 115.31 115.63 3h0d h LEU 81 Ca -0.01 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 3h0d h LEU 81 Cb 1.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3h0d h LEU 81 CO 0.08 0.94 -0.04 0.40 0.09 0.00 0.00 178.44 179.91 3h0d h ILE 82 N 0.19 1.24 -0.30 1.22 2.04 -1.21 -2.26 117.51 118.44 3h0d h ILE 82 Ca 0.03 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 3h0d h ILE 82 Cb 0.80 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 3h0d h ILE 82 CO 0.06 0.36 0.01 0.44 0.00 0.00 0.00 178.15 179.02 3h0d h ASP 83 N 0.70 0.42 -0.43 1.72 3.32 -1.09 0.38 116.42 121.43 3h0d h ASP 83 Ca 0.13 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 3h0d h ASP 83 Cb 0.49 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3h0d h ASP 83 CO 0.03 0.47 -0.16 1.56 -1.72 0.00 0.00 179.24 179.42 3h0d h GLN 84 N 0.44 0.87 -0.01 3.56 4.20 -1.07 -2.65 115.11 120.45 3h0d h GLN 84 Ca 0.10 -0.36 -0.23 0.00 0.06 0.00 0.00 58.65 58.22 3h0d h GLN 84 Cb 0.27 -0.04 0.02 0.00 0.30 0.00 0.00 27.48 28.03 3h0d h GLN 84 CO 0.01 1.00 -0.91 -0.07 -0.67 0.00 0.00 178.83 178.19 3h0d h LEU 85 N 0.70 0.81 -0.88 1.46 3.38 -1.13 -3.25 115.31 116.40 3h0d h LEU 85 Ca 0.10 -0.74 0.20 0.00 0.09 0.00 0.00 57.88 57.53 3h0d h LEU 85 Cb 0.71 -0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.10 3h0d h LEU 85 CO 0.05 1.44 0.39 0.25 0.09 0.00 0.00 178.44 180.67 3h0d h LEU 86 N 0.25 0.36 0.00 1.67 5.85 -0.20 0.38 115.31 123.62 3h0d h LEU 86 Ca -0.11 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3h0d h LEU 86 Cb 1.58 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.72 3h0d h LEU 86 CO 0.18 0.04 0.00 1.21 -0.34 0.00 0.00 178.44 179.53 3h0d n GLU 87 N -5.01 0.32 0.06 1.25 2.13 -1.01 -2.51 120.64 115.87 3h0d n GLU 87 Ca 0.21 0.09 0.11 0.00 0.66 0.00 0.00 57.16 58.23 3h0d n GLU 87 Cb 0.60 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.81 3h0d n GLU 87 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3h0d n LEU 88 N -1.23 0.64 -4.68 4.31 4.77 0.13 -4.85 117.00 116.09 3h0d n LEU 88 Ca 0.10 0.17 -0.41 0.00 -0.03 0.00 0.00 56.01 55.84 3h0d n LEU 88 Cb 0.13 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 3h0d n LEU 88 CO 0.13 -0.08 0.54 -0.63 -1.33 0.00 0.00 177.39 176.02 3h0d s ILE 89 N -3.32 4.94 0.00 -0.08 1.01 -1.04 -5.05 121.20 117.65 3h0d s ILE 89 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.22 3h0d s ILE 89 Cb 0.12 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.48 3h0d s ILE 89 CO 0.80 0.10 0.00 -0.67 0.00 0.00 0.00 174.94 175.17 3h0d n ASP 90 N 4.75 0.00 -0.07 3.58 2.03 -1.26 -4.95 116.55 120.63 3h0d n ASP 90 Ca 0.02 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.45 3h0d n ASP 90 Cb 0.50 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.07 3h0d n ASP 90 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 3h0d n HIS 91 N 0.00 0.00 -3.78 -0.67 -0.00 -1.26 -4.90 115.22 104.61 3h0d n HIS 91 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 3h0d n HIS 91 Cb 0.00 -0.16 -0.09 0.00 -0.12 0.00 0.00 29.99 29.62 3h0d n HIS 91 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 3h0d s ARG 92 N -2.89 0.63 -0.22 1.57 1.70 -1.26 -4.14 118.95 114.33 3h0d s ARG 92 Ca 0.13 -0.21 -0.17 0.00 -0.47 0.00 0.00 55.73 55.01 3h0d s ARG 92 Cb 0.17 0.28 0.06 0.00 -0.57 0.00 0.00 34.95 34.89 3h0d s ARG 92 CO 0.70 -0.17 0.57 -1.50 -1.08 0.00 0.00 175.30 173.82 3h0d s ILE 93 N -1.29 -0.01 0.82 4.99 2.07 0.32 -4.91 121.20 123.20 3h0d s ILE 93 Ca -0.13 0.02 -0.12 0.00 -1.41 0.00 0.00 60.65 59.01 3h0d s ILE 93 Cb -0.06 -0.81 0.09 0.00 0.13 0.00 0.00 42.46 41.81 3h0d s ILE 93 CO 0.04 0.01 1.12 -0.94 -1.91 0.00 0.00 174.94 173.26 3h0d s SER 94 N 0.85 4.32 0.11 4.50 1.04 -1.26 -4.55 113.70 118.70 3h0d s SER 94 Ca -0.04 1.08 -0.19 0.00 0.48 0.00 0.00 55.95 57.27 3h0d s SER 94 Cb -0.05 -1.73 -0.07 0.00 0.10 0.00 0.00 66.02 64.27 3h0d s SER 94 CO -0.07 -2.05 1.68 -0.61 0.98 0.00 0.00 173.24 173.17 3h0d h GLN 95 N -1.15 0.34 -0.73 4.02 4.15 -1.98 -1.20 115.11 118.56 3h0d h GLN 95 Ca -0.48 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 58.87 3h0d h GLN 95 Cb 1.30 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.89 3h0d h GLN 95 CO 0.62 0.34 0.34 0.66 -1.93 0.00 0.00 178.83 178.86 3h0d h SER 96 N 0.25 0.96 0.49 -0.69 4.64 -1.99 -0.37 113.55 116.85 3h0d h SER 96 Ca 0.08 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 3h0d h SER 96 Cb 0.11 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3h0d h SER 96 CO -0.01 0.84 -0.32 -1.28 -0.87 0.00 0.00 176.83 175.19 3h0d h SER 97 N 1.02 0.00 0.88 4.97 0.87 -1.90 -2.33 113.55 117.06 3h0d h SER 97 Ca 0.25 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.58 3h0d h SER 97 Cb 0.14 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 3h0d h SER 97 CO -0.03 0.32 -1.13 0.00 -0.53 0.00 0.00 176.83 175.46 3h0d h ALA 98 N 1.68 0.35 0.00 6.23 0.00 -0.68 -3.06 119.26 123.78 3h0d h ALA 98 Ca -0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 54.91 53.91 3h0d h ALA 98 Cb 0.65 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3h0d h ALA 98 CO 0.04 1.24 -0.12 0.93 0.00 0.00 0.00 179.25 181.34 3h0d h GLU 99 N 0.01 0.00 -0.13 0.00 5.08 -0.54 -1.63 114.58 117.37 3h0d h GLU 99 Ca -0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 3h0d h GLU 99 Cb 1.83 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.09 3h0d h GLU 99 CO 0.14 0.12 -0.55 -0.44 -1.00 0.00 0.00 179.01 177.27 3h0d h ASP 100 N 0.00 0.71 -0.03 1.42 3.32 -1.38 -1.42 116.42 119.04 3h0d h ASP 100 Ca -0.00 -0.63 -0.00 0.00 0.02 0.00 0.00 57.03 56.42 3h0d h ASP 100 Cb 0.28 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3h0d h ASP 100 CO 0.02 1.22 0.02 0.58 -1.72 0.00 0.00 179.24 179.35 3h0d h VAL 101 N 0.25 1.05 -0.57 -1.35 2.07 -1.44 -1.85 116.25 114.40 3h0d h VAL 101 Ca -0.03 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3h0d h VAL 101 Cb 1.19 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3h0d h VAL 101 CO 0.12 0.04 0.32 0.40 0.02 0.00 0.00 177.57 178.46 3h0d h ILE 102 N -0.01 1.00 -0.41 4.57 1.08 -1.31 -1.17 117.51 121.28 3h0d h ILE 102 Ca 0.01 -0.21 -0.10 0.00 -0.39 0.00 0.00 64.86 64.17 3h0d h ILE 102 Cb 0.05 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.11 3h0d h ILE 102 CO -0.00 0.11 -0.14 0.07 -0.69 0.00 0.00 178.15 177.50 3h0d h LYS 103 N 0.62 0.75 -0.68 2.37 2.10 -1.18 -2.71 116.57 117.83 3h0d h LYS 103 Ca 0.24 -0.26 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 3h0d h LYS 103 Cb 0.10 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.34 3h0d h LYS 103 CO -0.14 0.85 0.39 -0.09 -2.00 0.00 0.00 179.45 178.46 3h0d h ARG 104 N 0.67 0.94 -1.61 0.07 9.65 -0.79 0.13 114.38 123.43 3h0d h ARG 104 Ca 0.11 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3h0d h ARG 104 Cb 0.62 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 3h0d h ARG 104 CO 0.04 0.69 0.00 1.28 2.80 0.00 0.00 179.97 184.78 3h0d n LEU 105 N -4.53 0.60 0.00 3.80 4.77 -0.49 -1.14 117.00 120.00 3h0d n LEU 105 Ca 0.05 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3h0d n LEU 105 Cb 0.08 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3h0d n LEU 105 CO 0.37 0.10 0.00 -0.62 -1.33 0.00 0.00 177.39 175.91 3h0d n GLU 107 N 0.84 0.00 0.00 3.23 1.02 0.44 -0.70 120.64 125.47 3h0d n GLU 107 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 3h0d n GLU 107 Cb 0.10 0.00 0.35 0.00 -0.02 0.00 0.00 31.44 31.87 3h0d n GLU 107 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3h0d n GLU 108 N 0.00 0.49 -1.78 3.49 1.02 -0.29 -4.83 120.64 118.75 3h0d n GLU 108 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 3h0d n GLU 108 Cb 0.00 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 29.99 3h0d n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3h0d n LYS 109 N -0.87 -1.38 0.13 3.49 4.01 -0.86 -4.87 118.16 117.82 3h0d n LYS 109 Ca 0.09 1.10 0.12 0.00 -0.51 0.00 0.00 58.31 59.11 3h0d n LYS 109 Cb 0.04 -5.48 0.19 0.00 -0.51 0.00 0.00 35.03 29.28 3h0d n LYS 109 CO 0.00 0.00 0.00 -0.39 -1.11 0.00 0.00 177.40 175.90 3h0d h VAL 110 N 0.00 0.00 -3.85 -0.18 -1.51 -1.23 -3.46 116.25 106.02 3h0d h VAL 110 Ca -0.41 -0.75 -0.27 0.00 -1.23 0.00 0.00 66.70 64.04 3h0d h VAL 110 Cb 1.27 1.54 -0.18 0.00 -2.13 0.00 0.00 31.29 31.79 3h0d h VAL 110 CO 0.56 0.00 -0.72 0.27 -1.23 0.00 0.00 177.57 176.45 3h0d s ILE 111 N -3.20 0.72 0.80 7.19 -4.36 -1.22 -5.15 121.20 115.98 3h0d s ILE 111 Ca 0.06 -1.52 -0.09 0.00 -0.26 0.00 0.00 60.65 58.84 3h0d s ILE 111 Cb 0.10 -1.18 0.12 0.00 1.25 0.00 0.00 42.46 42.75 3h0d s ILE 111 CO 0.69 -0.58 1.13 -0.94 0.24 0.00 0.00 174.94 175.48 3h0d s SER 112 N -2.29 4.18 0.31 4.36 1.04 -1.26 -4.87 113.70 115.18 3h0d s SER 112 Ca 0.02 0.33 0.06 0.00 0.48 0.00 0.00 55.95 56.83 3h0d s SER 112 Cb -0.03 -0.73 0.53 0.00 0.10 0.00 0.00 66.02 65.89 3h0d s SER 112 CO -0.01 -2.03 1.77 -0.08 0.98 0.00 0.00 173.24 173.86 3h0d h GLU 113 N -0.98 0.33 -0.53 4.02 4.81 -2.01 0.06 114.58 120.28 3h0d h GLU 113 Ca -0.43 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 58.57 3h0d h GLU 113 Cb 1.29 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 3h0d h GLU 113 CO 0.52 0.58 -0.10 -0.09 -0.73 0.00 0.00 179.01 179.19 3h0d h ARG 114 N 0.29 1.00 -0.14 1.92 2.43 -1.98 0.98 114.38 118.88 3h0d h ARG 114 Ca 0.04 -0.37 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 3h0d h ARG 114 Cb 0.64 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3h0d h ARG 114 CO 0.05 1.05 -0.08 0.93 -1.51 0.00 0.00 179.97 180.41 3h0d h GLU 115 N 0.88 0.29 -0.48 0.20 5.08 -1.86 -3.08 114.58 115.61 3h0d h GLU 115 Ca 0.14 -0.13 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 3h0d h GLU 115 Cb 0.66 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 3h0d h GLU 115 CO 0.05 0.63 0.05 0.00 -1.00 0.00 0.00 179.01 178.74 3h0d h ALA 116 N 0.65 0.50 -0.10 3.43 0.00 -0.82 -3.41 119.26 119.51 3h0d h ALA 116 Ca 0.03 0.12 -0.37 0.00 0.00 0.00 0.00 54.91 54.69 3h0d h ALA 116 Cb 0.55 0.18 0.06 0.00 0.00 0.00 0.00 17.79 18.58 3h0d h ALA 116 CO 0.02 -0.35 1.04 1.63 0.00 0.00 0.00 179.25 181.59 3h0d n LYS 117 N -5.16 0.52 0.00 0.00 5.02 0.32 -4.61 118.16 114.26 3h0d n LYS 117 Ca 0.05 -1.60 0.00 0.00 -2.02 0.00 0.00 58.31 54.74 3h0d n LYS 117 Cb 0.24 -3.23 0.00 0.00 -0.02 0.00 0.00 35.03 32.02 3h0d n LYS 117 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3h0d n LEU 120 N 13.17 0.00 0.25 -0.35 4.77 -1.26 -4.66 117.00 128.92 3h0d n LEU 120 Ca 0.45 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.53 3h0d n LEU 120 Cb 0.44 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 42.21 3h0d n LEU 120 CO 0.90 0.00 0.98 0.77 -1.33 0.00 0.00 177.39 178.71 3h0d h SER 121 N 0.00 0.00 -0.69 -1.43 4.64 -1.95 -2.99 113.55 111.13 3h0d h SER 121 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3h0d h SER 121 Cb 0.00 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 61.90 3h0d h SER 121 CO 0.00 0.12 0.56 0.55 -0.87 0.00 0.00 176.83 177.19 3h0d n VAL 122 N -3.96 3.08 -0.19 0.95 3.14 -1.26 -4.90 118.33 115.18 3h0d n VAL 122 Ca -0.02 -2.15 0.00 0.00 -2.96 0.00 0.00 64.34 59.21 3h0d n VAL 122 Cb 0.21 -1.30 0.00 0.00 -1.06 0.00 0.00 33.84 31.69 3h0d n VAL 122 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3h0d n ASP 124 N -0.01 -1.71 -0.29 6.55 4.64 -1.13 -4.69 116.55 119.89 3h0d n ASP 124 Ca 0.41 0.17 -0.08 0.00 -1.38 0.00 0.00 54.79 53.91 3h0d n ASP 124 Cb 0.59 0.29 -0.05 0.00 -1.04 0.00 0.00 41.12 40.92 3h0d n ASP 124 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 3h0d h ARG 125 N 0.16 -0.14 -0.09 -0.67 3.08 -1.95 -1.18 114.38 113.58 3h0d h ARG 125 Ca 0.00 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.09 3h0d h ARG 125 Cb 0.03 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3h0d h ARG 125 CO 0.00 -0.09 0.19 0.66 -1.07 0.00 0.00 179.97 179.66 3h0d h SER 126 N -0.14 0.00 0.07 7.04 4.64 -1.99 0.15 113.55 123.32 3h0d h SER 126 Ca 0.19 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.22 3h0d h SER 126 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3h0d h SER 126 CO -0.81 0.00 -1.61 0.58 -0.87 0.00 0.00 176.83 174.12 3h0d h VAL 127 N 0.00 0.80 -0.07 0.95 2.07 -1.59 -3.35 116.25 115.06 3h0d h VAL 127 Ca 0.04 -2.28 -0.10 0.00 0.82 0.00 0.00 66.70 65.18 3h0d h VAL 127 Cb 0.42 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 3h0d h VAL 127 CO -0.00 0.62 -0.43 -0.07 0.02 0.00 0.00 177.57 177.71 3h0d h LEU 128 N -0.44 0.16 0.00 2.57 3.38 -1.04 -3.46 115.31 116.48 3h0d h LEU 128 Ca -0.38 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3h0d h LEU 128 Cb 1.69 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.39 3h0d h LEU 128 CO -0.05 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.06 3h0d n TYR 129 N -4.01 0.00 -0.67 1.13 9.36 0.48 -4.92 117.16 118.53 3h0d n TYR 129 Ca -0.02 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.90 3h0d n TYR 129 Cb 0.48 0.00 0.18 0.00 -0.63 0.00 0.00 39.34 39.37 3h0d n TYR 129 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 3h0d s ILE 130 N 0.00 2.07 0.71 2.97 -4.36 -1.26 -4.99 121.20 116.33 3h0d s ILE 130 Ca 0.00 0.02 -0.11 0.00 -0.26 0.00 0.00 60.65 60.30 3h0d s ILE 130 Cb 0.00 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.67 3h0d s ILE 130 CO 0.00 -0.03 1.07 -1.81 0.24 0.00 0.00 174.94 174.41 3h0d s ASP 131 N -2.64 5.31 0.53 4.36 1.01 -1.26 -4.45 116.67 119.53 3h0d s ASP 131 Ca 0.67 1.51 -0.17 0.00 0.71 0.00 0.00 52.55 55.27 3h0d s ASP 131 Cb -0.23 -2.38 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 3h0d s ASP 131 CO 0.59 -1.47 1.01 -0.76 0.21 0.00 0.00 175.17 174.75 3h0d s LEU 132 N -5.54 3.63 0.33 1.23 1.43 -1.26 -1.38 118.68 117.12 3h0d s LEU 132 Ca 0.58 1.69 0.18 0.00 -1.03 0.00 0.00 54.13 55.55 3h0d s LEU 132 Cb -0.14 -4.52 0.32 0.00 0.03 0.00 0.00 46.19 41.88 3h0d s LEU 132 CO 0.55 -0.77 1.56 1.55 0.23 0.00 0.00 176.35 179.47 3h0d h PRO 133 N 0.90 0.00 -1.18 1.29 0.13 -2.03 -3.45 132.00 127.65 3h0d h PRO 133 Ca -0.47 0.00 0.45 0.00 -0.87 0.00 0.00 66.00 65.11 3h0d h PRO 133 Cb 1.20 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 3h0d h PRO 133 CO 0.60 0.40 0.71 0.39 -0.23 0.00 0.00 178.00 179.87 3h0d n GLU 134 N -3.28 -0.05 -0.14 0.86 4.71 -1.14 0.10 120.64 121.71 3h0d n GLU 134 Ca 0.02 1.32 0.03 0.00 -0.01 0.00 0.00 57.16 58.52 3h0d n GLU 134 Cb 0.64 -2.49 0.34 0.00 -1.01 0.00 0.00 31.44 28.92 3h0d n GLU 134 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 3h0d h ARG 135 N 0.00 0.77 0.00 3.49 2.43 -1.44 -1.42 114.38 118.21 3h0d h ARG 135 Ca 0.87 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.84 3h0d h ARG 135 Cb 2.54 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.90 3h0d h ARG 135 CO -0.63 0.51 -0.70 -0.44 -1.51 0.00 0.00 179.97 177.20 3h0d h ASP 136 N 0.79 0.00 -0.03 -3.80 3.45 -0.58 -1.72 116.42 114.53 3h0d h ASP 136 Ca 0.24 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.49 3h0d h ASP 136 Cb 0.01 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.78 3h0d h ASP 136 CO -0.06 0.70 -0.76 -0.33 -1.57 0.00 0.00 179.24 177.22 3h0d h GLU 137 N 0.00 0.68 -0.50 3.56 5.08 -1.25 0.10 114.58 122.25 3h0d h GLU 137 Ca -0.01 -0.56 -0.11 0.00 -1.00 0.00 0.00 59.36 57.69 3h0d h GLU 137 Cb 1.53 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 3h0d h GLU 137 CO 0.09 1.17 -0.12 1.25 -1.00 0.00 0.00 179.01 180.41 3h0d h LEU 138 N 0.47 0.94 -1.05 1.33 5.85 -1.26 -2.22 115.31 119.37 3h0d h LEU 138 Ca -0.05 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 3h0d h LEU 138 Cb 1.38 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 3h0d h LEU 138 CO 0.15 1.06 0.19 -0.09 -0.34 0.00 0.00 178.44 179.41 3h0d h ARG 139 N 0.84 0.88 -0.12 1.25 2.43 -1.27 -2.93 114.38 115.45 3h0d h ARG 139 Ca 0.13 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3h0d h ARG 139 Cb 0.66 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3h0d h ARG 139 CO 0.05 0.75 0.01 0.00 -1.51 0.00 0.00 179.97 179.27 3h0d h ALA 140 N 1.36 0.16 0.00 2.80 0.00 -1.21 0.25 119.26 122.61 3h0d h ALA 140 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h0d h ALA 140 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3h0d h ALA 140 CO -0.01 -0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.61 3h0d n ARG 141 N -4.82 0.00 0.00 0.00 1.74 -0.86 -0.91 116.66 111.82 3h0d n ARG 141 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3h0d n ARG 141 Cb 0.19 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3h0d n ARG 141 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3h0d n LEU 143 N 0.77 0.00 -0.27 0.55 7.94 0.08 -1.29 117.00 124.77 3h0d n LEU 143 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 3h0d n LEU 143 Cb 0.00 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.14 3h0d n LEU 143 CO 0.00 0.00 1.25 0.11 -1.11 0.00 0.00 177.39 177.64 3h0d h LYS 144 N 0.00 1.10 -1.00 1.96 1.57 -1.27 -0.41 116.57 118.52 3h0d h LYS 144 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3h0d h LYS 144 Cb 0.00 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.07 3h0d h LYS 144 CO 0.00 0.74 0.00 0.00 -0.57 0.00 0.00 179.45 179.62 3h0d n ALA 145 N -2.41 1.80 0.00 3.86 0.00 -0.41 -1.05 120.51 122.30 3h0d n ALA 145 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3h0d n ALA 145 Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3h0d n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h0d n LEU 147 N 0.53 0.00 -0.33 0.00 4.77 -0.16 -1.68 117.00 120.13 3h0d n LEU 147 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3h0d n LEU 147 Cb 0.17 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.41 3h0d n LEU 147 CO 0.00 0.00 1.21 0.74 -1.33 0.00 0.00 177.39 178.01 3h0d h THR 148 N 0.00 1.04 -0.73 -5.08 2.02 -1.32 -2.14 112.91 106.70 3h0d h THR 148 Ca 0.00 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 66.88 3h0d h THR 148 Cb 0.00 -0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 66.30 3h0d h THR 148 CO 0.00 0.19 0.44 -1.28 0.37 0.00 0.00 175.52 175.23 3h0d h SER 149 N 1.02 0.69 0.80 4.18 0.87 -1.57 -2.23 113.55 117.30 3h0d h SER 149 Ca 0.39 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 3h0d h SER 149 Cb 0.19 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3h0d h SER 149 CO -0.18 0.46 0.00 0.18 -0.53 0.00 0.00 176.83 176.76 3h0d n LEU 150 N -4.70 0.62 0.14 2.23 4.77 -0.83 -3.09 117.00 116.13 3h0d n LEU 150 Ca 0.09 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.84 3h0d n LEU 150 Cb 0.14 -0.54 0.42 0.00 -2.33 0.00 0.00 43.42 41.11 3h0d n LEU 150 CO 0.31 -0.48 0.88 0.50 -1.33 0.00 0.00 177.39 177.27 3h0d h LYS 151 N 0.00 0.00 -5.66 3.23 3.64 -1.09 -3.46 116.57 113.22 3h0d h LYS 151 Ca 0.00 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.90 3h0d h LYS 151 Cb 0.40 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.08 3h0d h LYS 151 CO 0.00 0.00 -0.74 0.71 -2.27 0.00 0.00 179.45 177.15 3h0d s TYR 152 N -3.21 1.81 0.06 1.91 1.51 -1.18 -1.20 117.35 117.05 3h0d s TYR 152 Ca 0.08 -0.54 -0.01 0.00 -1.01 0.00 0.00 57.07 55.59 3h0d s TYR 152 Cb 0.10 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 3h0d s TYR 152 CO 0.54 0.41 -0.03 -1.59 -1.11 0.00 0.00 175.55 173.78 3h0d s LYS 153 N -3.63 0.65 0.59 -0.62 -2.85 -0.58 -4.84 119.74 108.46 3h0d s LYS 153 Ca 0.24 -1.24 -0.18 0.00 -1.00 0.00 0.00 55.97 53.79 3h0d s LYS 153 Cb -0.01 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 3h0d s LYS 153 CO 0.08 -0.11 1.14 -0.51 0.10 0.00 0.00 175.35 176.05 3h0d s LEU 154 N -2.94 3.62 0.00 2.77 1.43 -1.26 -0.85 118.68 121.44 3h0d s LEU 154 Ca 0.08 2.16 0.19 0.00 -1.03 0.00 0.00 54.13 55.53 3h0d s LEU 154 Cb 0.08 -4.57 1.11 0.00 0.03 0.00 0.00 46.19 42.83 3h0d s LEU 154 CO -0.09 -1.42 1.59 1.21 0.23 0.00 0.00 176.35 177.87 3h0d n GLU 155 N -1.71 0.81 0.00 1.70 2.13 -1.08 -4.55 120.64 117.94 3h0d n GLU 155 Ca 0.12 0.00 0.06 0.00 0.66 0.00 0.00 57.16 58.00 3h0d n GLU 155 Cb 0.51 -1.36 0.05 0.00 0.27 0.00 0.00 31.44 30.91 3h0d n GLU 155 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16