#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1u n PHE 2 N 0.00 -2.08 -3.65 0.00 3.72 -1.26 -4.56 117.46 109.63 1o1u n PHE 2 Ca 0.00 0.62 -0.03 0.00 -0.05 0.00 0.00 57.45 57.99 1o1u n PHE 2 Cb 0.00 -3.38 -0.05 0.00 -0.94 0.00 0.00 39.48 35.11 1o1u n PHE 2 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1o1u s THR 3 N -3.30 -0.74 0.00 4.37 2.01 -1.26 -2.19 115.64 114.53 1o1u s THR 3 Ca 0.31 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1o1u s THR 3 Cb -0.12 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1o1u s THR 3 CO 0.86 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.40 1o1u n GLY 4 N 5.17 1.01 3.86 4.40 0.00 -0.43 -4.95 105.19 114.25 1o1u n GLY 4 Ca -0.14 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 1o1u n GLY 4 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o1u s LYS 5 N -1.79 3.86 0.15 1.61 2.20 -1.26 -1.17 119.74 123.33 1o1u s LYS 5 Ca 0.00 0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.89 1o1u s LYS 5 Cb 0.00 -2.91 -0.03 0.00 -1.51 0.00 0.00 37.83 33.38 1o1u s LYS 5 CO 0.00 0.48 0.14 -0.06 -0.36 0.00 0.00 175.35 175.56 1o1u s PHE 6 N -1.50 0.73 -0.11 4.03 0.40 0.34 -3.12 117.98 118.75 1o1u s PHE 6 Ca 0.38 -1.09 -0.05 0.00 -0.60 0.00 0.00 56.93 55.57 1o1u s PHE 6 Cb -0.14 -0.34 0.05 0.00 0.51 0.00 0.00 43.02 43.10 1o1u s PHE 6 CO 0.19 -0.60 0.24 -1.21 0.70 0.00 0.00 175.22 174.54 1o1u s GLU 7 N -4.03 0.17 -0.39 0.44 2.02 -0.45 -0.34 118.70 116.12 1o1u s GLU 7 Ca 0.23 0.57 -0.37 0.00 0.02 0.00 0.00 54.97 55.42 1o1u s GLU 7 Cb 0.06 -0.11 -0.13 0.00 0.10 0.00 0.00 34.13 34.04 1o1u s GLU 7 CO 0.02 -0.20 2.18 -0.12 0.02 0.00 0.00 175.26 177.16 1o1u n MET 8 N 4.56 0.79 -0.07 1.61 0.00 0.67 -2.23 117.12 122.45 1o1u n MET 8 Ca -0.20 0.21 -0.11 0.00 -0.00 0.00 0.00 57.70 57.60 1o1u n MET 8 Cb 0.52 -2.21 -0.08 0.00 0.00 0.00 0.00 33.22 31.45 1o1u n MET 8 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1o1u h GLU 9 N 11.55 0.00 -3.48 2.12 4.81 -1.54 -3.38 114.58 124.66 1o1u h GLU 9 Ca -0.22 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.95 1o1u h GLU 9 Cb 1.35 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.66 1o1u h GLU 9 CO 1.04 0.65 0.01 -1.54 -0.73 0.00 0.00 179.01 178.44 1o1u s SER 10 N -6.14 0.04 0.24 1.04 1.04 -1.26 -5.00 113.70 103.66 1o1u s SER 10 Ca -0.16 -0.98 -0.07 0.00 0.48 0.00 0.00 55.95 55.22 1o1u s SER 10 Cb 0.00 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 1o1u s SER 10 CO 0.45 -1.30 0.33 -1.61 0.98 0.00 0.00 173.24 172.10 1o1u s GLU 11 N -3.58 1.43 0.04 4.02 2.02 -1.26 -2.36 118.70 119.01 1o1u s GLU 11 Ca 0.20 -1.46 -0.04 0.00 0.02 0.00 0.00 54.97 53.68 1o1u s GLU 11 Cb -0.02 0.38 -0.02 0.00 0.10 0.00 0.00 34.13 34.57 1o1u s GLU 11 CO 0.11 -0.55 0.07 -1.59 0.02 0.00 0.00 175.26 173.32 1o1u s LYS 12 N -4.00 0.57 -1.38 1.61 -2.85 -1.15 -4.88 119.74 107.66 1o1u s LYS 12 Ca 0.30 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.46 1o1u s LYS 12 Cb 0.03 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 1o1u s LYS 12 CO 0.11 -0.14 0.00 0.09 0.10 0.00 0.00 175.35 175.52 1o1u n ASN 13 N 0.73 -3.56 -0.05 0.03 3.02 -1.26 -2.84 115.26 111.32 1o1u n ASN 13 Ca -0.19 0.31 -0.14 0.00 -0.03 0.00 0.00 54.58 54.54 1o1u n ASN 13 Cb 0.59 -3.29 -0.12 0.00 -0.61 0.00 0.00 39.78 36.34 1o1u n ASN 13 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1o1u h TYR 14 N 0.00 0.02 0.13 3.10 3.20 -1.87 -3.08 116.97 118.47 1o1u h TYR 14 Ca -0.28 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.60 1o1u h TYR 14 Cb 0.90 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 1o1u h TYR 14 CO 0.41 0.83 -0.39 -0.44 -1.64 0.00 0.00 178.16 176.93 1o1u h ASP 15 N -0.79 -1.13 0.24 -2.11 5.19 -1.95 -1.35 116.42 114.52 1o1u h ASP 15 Ca -0.00 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1o1u h ASP 15 Cb 0.84 0.43 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1o1u h ASP 15 CO 0.00 -0.47 -0.11 -0.33 -3.12 0.00 0.00 179.24 175.21 1o1u h GLU 16 N -0.63 -0.30 -0.95 3.56 5.08 -1.95 -0.02 114.58 119.37 1o1u h GLU 16 Ca 0.02 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 58.70 1o1u h GLU 16 Cb 0.65 0.07 -0.16 0.00 0.50 0.00 0.00 28.75 29.81 1o1u h GLU 16 CO -0.22 -0.17 0.33 0.35 -1.00 0.00 0.00 179.01 178.29 1o1u h PHE 17 N -0.36 0.49 0.03 4.33 3.57 -1.40 0.30 116.94 123.91 1o1u h PHE 17 Ca -0.03 0.05 -0.23 0.00 3.53 0.00 0.00 57.97 61.29 1o1u h PHE 17 Cb 0.28 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1o1u h PHE 17 CO -0.05 -0.31 -0.99 0.52 -2.23 0.00 0.00 178.31 175.26 1o1u h MET 18 N 0.15 0.32 -0.37 1.11 2.86 -0.59 0.17 114.93 118.58 1o1u h MET 18 Ca 0.66 -0.39 -0.08 0.00 -2.06 0.00 0.00 59.70 57.83 1o1u h MET 18 Cb 1.49 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 33.25 1o1u h MET 18 CO -0.73 1.09 -0.11 1.57 1.06 0.00 0.00 176.91 179.79 1o1u h LYS 19 N 0.16 0.64 0.09 1.72 5.09 0.14 0.15 116.57 124.57 1o1u h LYS 19 Ca -0.08 -0.20 -0.00 0.00 0.09 0.00 0.00 60.65 60.46 1o1u h LYS 19 Cb 1.65 -0.06 0.00 0.00 0.10 0.00 0.00 32.23 33.92 1o1u h LYS 19 CO 0.16 0.74 -0.05 -0.07 -2.09 0.00 0.00 179.45 178.15 1o1u h LEU 20 N 0.59 -0.11 -0.89 7.07 -0.00 -0.76 -3.22 115.31 117.99 1o1u h LEU 20 Ca 0.10 -0.39 0.22 0.00 -0.00 0.00 0.00 57.88 57.81 1o1u h LEU 20 Cb 0.54 0.03 -0.12 0.00 -0.00 0.00 0.00 40.66 41.10 1o1u h LEU 20 CO 0.03 0.36 0.40 0.25 -0.00 0.00 0.00 178.44 179.48 1o1u h LEU 21 N -0.61 0.35 0.00 1.67 5.85 -0.34 -3.45 115.31 118.78 1o1u h LEU 21 Ca -0.01 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1o1u h LEU 21 Cb 0.49 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1o1u h LEU 21 CO 0.02 0.02 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 1o1u n GLY 22 N -1.34 0.38 3.30 3.75 0.00 0.44 -4.66 105.19 107.07 1o1u n GLY 22 Ca 0.22 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 1o1u n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o1u s ILE 23 N 0.00 1.65 0.73 -0.61 -1.09 -0.64 -4.90 121.20 116.34 1o1u s ILE 23 Ca 0.00 -1.86 -0.11 0.00 -2.23 0.00 0.00 60.65 56.45 1o1u s ILE 23 Cb 0.00 -1.75 0.03 0.00 -1.58 0.00 0.00 42.46 39.16 1o1u s ILE 23 CO 0.00 -0.36 1.07 -0.55 -1.23 0.00 0.00 174.94 173.88 1o1u s SER 24 N -2.61 5.01 -1.39 3.58 0.15 -1.26 -4.57 113.70 112.61 1o1u s SER 24 Ca 0.14 1.71 -0.09 0.00 0.70 0.00 0.00 55.95 58.40 1o1u s SER 24 Cb -0.05 -2.51 0.08 0.00 -1.71 0.00 0.00 66.02 61.83 1o1u s SER 24 CO 0.05 -1.69 2.29 -1.54 1.20 0.00 0.00 173.24 173.55 1o1u n SER 25 N -3.28 6.33 0.10 5.45 3.41 -1.26 -3.08 113.62 121.30 1o1u n SER 25 Ca 0.08 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 1o1u n SER 25 Cb 0.53 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 1o1u n SER 25 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1o1u n ASP 26 N 3.67 -1.86 -0.15 4.04 2.03 -1.26 -4.75 116.55 118.26 1o1u n ASP 26 Ca 0.56 0.51 -0.05 0.00 0.52 0.00 0.00 54.79 56.32 1o1u n ASP 26 Cb 0.31 1.94 0.04 0.00 -0.72 0.00 0.00 41.12 42.69 1o1u n ASP 26 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1o1u h VAL 27 N 0.00 0.99 0.07 5.18 2.07 -1.97 -0.08 116.25 122.50 1o1u h VAL 27 Ca 0.00 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1o1u h VAL 27 Cb 0.00 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1o1u h VAL 27 CO 0.00 0.09 -0.40 0.40 0.02 0.00 0.00 177.57 177.68 1o1u h ILE 28 N 0.49 0.18 -0.80 4.57 2.04 -1.88 0.37 117.51 122.48 1o1u h ILE 28 Ca 0.20 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.16 1o1u h ILE 28 Cb 0.09 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 36.29 1o1u h ILE 28 CO -0.13 0.00 0.52 -0.33 0.00 0.00 0.00 178.15 178.21 1o1u h GLU 29 N -0.61 0.70 0.13 2.37 4.39 -1.66 -1.99 114.58 117.91 1o1u h GLU 29 Ca 0.03 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1o1u h GLU 29 Cb 0.66 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1o1u h GLU 29 CO -0.27 0.47 -0.06 0.87 -1.16 0.00 0.00 179.01 178.86 1o1u h LYS 30 N 0.72 -0.16 -1.05 2.33 1.57 -0.50 -3.03 116.57 116.45 1o1u h LYS 30 Ca 0.37 0.01 0.40 0.00 -1.87 0.00 0.00 60.65 59.56 1o1u h LYS 30 Cb 0.47 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 32.67 1o1u h LYS 30 CO -0.14 -0.11 0.62 0.00 -0.57 0.00 0.00 179.45 179.25 1o1u n ALA 31 N -2.43 1.06 0.02 3.86 0.00 0.13 0.14 120.51 123.29 1o1u n ALA 31 Ca -0.02 0.87 -0.19 0.00 0.00 0.00 0.00 53.44 54.10 1o1u n ALA 31 Cb 0.07 -0.94 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 1o1u n ALA 31 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1o1u h ARG 32 N 0.00 0.38 0.12 0.00 0.11 -1.49 -3.37 114.38 110.13 1o1u h ARG 32 Ca 0.78 -0.48 -0.01 0.00 0.10 0.00 0.00 59.98 60.38 1o1u h ARG 32 Cb 2.26 0.15 0.00 0.00 1.11 0.00 0.00 29.97 33.49 1o1u h ARG 32 CO -0.58 1.16 -0.06 -0.97 0.10 0.00 0.00 179.97 179.62 1o1u h ASN 33 N -0.19 -0.14 -1.42 0.08 -1.24 0.36 -3.41 115.58 109.63 1o1u h ASN 33 Ca -0.10 -0.40 -0.69 0.00 0.71 0.00 0.00 56.30 55.81 1o1u h ASN 33 Cb 1.45 0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.54 1o1u h ASN 33 CO 0.13 0.47 1.14 0.33 -1.29 0.00 0.00 177.43 178.22 1o1u n PHE 34 N -4.86 1.92 -1.19 0.67 7.35 0.37 -4.91 117.46 116.80 1o1u n PHE 34 Ca -0.07 0.35 -0.33 0.00 -0.76 0.00 0.00 57.45 56.64 1o1u n PHE 34 Cb 0.26 -2.52 0.12 0.00 0.35 0.00 0.00 39.48 37.69 1o1u n PHE 34 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1o1u s LYS 35 N 4.69 1.77 0.08 -4.13 -0.14 -1.26 -4.59 119.74 116.16 1o1u s LYS 35 Ca 1.02 1.71 0.03 0.00 -1.36 0.00 0.00 55.97 57.38 1o1u s LYS 35 Cb -0.94 -1.79 -0.03 0.00 -1.68 0.00 0.00 37.83 33.38 1o1u s LYS 35 CO 0.57 -2.11 -0.10 0.42 -0.76 0.00 0.00 175.35 173.38 1o1u s ILE 36 N -2.18 0.86 0.17 2.17 1.01 -1.26 -4.98 121.20 117.00 1o1u s ILE 36 Ca 0.72 -1.50 0.05 0.00 0.00 0.00 0.00 60.65 59.92 1o1u s ILE 36 Cb -0.28 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1o1u s ILE 36 CO 0.50 -0.50 0.17 -0.69 0.00 0.00 0.00 174.94 174.42 1o1u s VAL 37 N -2.14 4.61 -0.11 2.92 1.01 -0.33 -0.24 120.40 126.11 1o1u s VAL 37 Ca 0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 1o1u s VAL 37 Cb -0.05 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 33.01 1o1u s VAL 37 CO 0.00 -0.14 0.24 -0.89 0.00 0.00 0.00 175.10 174.31 1o1u s THR 38 N -1.80 -0.32 0.17 3.92 2.01 0.54 -1.68 115.64 118.48 1o1u s THR 38 Ca 0.32 0.28 0.09 0.00 0.31 0.00 0.00 61.69 62.68 1o1u s THR 38 Cb -0.10 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1o1u s THR 38 CO 0.24 0.12 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.55 1o1u s GLU 39 N 2.19 1.94 -0.01 4.92 2.02 -0.44 0.13 118.70 129.45 1o1u s GLU 39 Ca -0.00 -1.28 -0.06 0.00 0.02 0.00 0.00 54.97 53.65 1o1u s GLU 39 Cb -0.12 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.00 1o1u s GLU 39 CO -0.08 0.44 0.13 0.08 0.02 0.00 0.00 175.26 175.85 1o1u s VAL 40 N -1.58 0.06 -0.33 2.63 1.01 -0.32 -0.73 120.40 121.14 1o1u s VAL 40 Ca 0.23 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1o1u s VAL 40 Cb -0.09 -0.36 0.14 0.00 0.00 0.00 0.00 36.38 36.07 1o1u s VAL 40 CO 0.13 -0.29 0.32 -1.58 0.00 0.00 0.00 175.10 173.68 1o1u s GLN 41 N -1.02 0.49 0.88 2.72 0.74 -1.13 -1.31 119.66 121.03 1o1u s GLN 41 Ca -0.11 -0.61 -0.11 0.00 0.05 0.00 0.00 55.36 54.58 1o1u s GLN 41 Cb -0.06 -0.76 0.12 0.00 1.10 0.00 0.00 33.01 33.41 1o1u s GLN 41 CO 0.01 -1.13 1.11 1.14 -0.55 0.00 0.00 175.29 175.87 1o1u s GLN 42 N 1.78 1.33 -0.42 1.67 1.03 -0.93 -2.67 119.66 121.45 1o1u s GLN 42 Ca 0.14 1.23 0.08 0.00 0.04 0.00 0.00 55.36 56.85 1o1u s GLN 42 Cb -0.15 -1.79 0.28 0.00 0.03 0.00 0.00 33.01 31.38 1o1u s GLN 42 CO -0.16 -2.31 0.77 -3.47 -2.54 0.00 0.00 175.29 167.59 1o1u n ASP 43 N -3.98 -0.91 0.00 12.60 2.03 0.27 -4.82 116.55 121.73 1o1u n ASP 43 Ca 0.09 -3.11 0.00 0.00 0.52 0.00 0.00 54.79 52.29 1o1u n ASP 43 Cb 0.53 0.47 0.00 0.00 -0.72 0.00 0.00 41.12 41.40 1o1u n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1o1u n GLY 44 N 1.00 0.44 0.39 0.27 0.00 -1.26 -2.33 105.19 103.71 1o1u n GLY 44 Ca 0.16 -0.83 0.19 0.00 0.00 0.00 0.00 46.02 45.55 1o1u n GLY 44 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1o1u h GLN 45 N 0.00 0.49 -7.24 1.61 4.15 -1.97 -3.41 115.11 108.75 1o1u h GLN 45 Ca 0.00 -0.03 -0.49 0.00 0.77 0.00 0.00 58.65 58.90 1o1u h GLN 45 Cb 0.00 -0.11 0.06 0.00 0.21 0.00 0.00 27.48 27.64 1o1u h GLN 45 CO 0.00 0.32 0.38 0.34 -1.93 0.00 0.00 178.83 177.94 1o1u s ASP 46 N -5.40 6.00 0.21 -0.69 2.15 -0.98 -1.69 116.67 116.27 1o1u s ASP 46 Ca -0.09 1.67 0.02 0.00 0.43 0.00 0.00 52.55 54.58 1o1u s ASP 46 Cb 0.25 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 40.30 1o1u s ASP 46 CO 0.79 -1.02 0.02 -0.36 -0.17 0.00 0.00 175.17 174.43 1o1u s PHE 47 N -2.68 1.43 -0.47 -5.34 0.40 0.16 -0.57 117.98 110.91 1o1u s PHE 47 Ca 0.60 -1.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.00 1o1u s PHE 47 Cb -0.13 -0.83 0.26 0.00 0.51 0.00 0.00 43.02 42.83 1o1u s PHE 47 CO 0.40 -0.16 0.62 0.25 0.70 0.00 0.00 175.22 177.03 1o1u n THR 48 N -0.36 0.35 -1.67 0.64 -2.24 -1.09 -3.14 114.28 106.77 1o1u n THR 48 Ca -0.05 -4.46 -0.31 0.00 -2.27 0.00 0.00 64.05 56.97 1o1u n THR 48 Cb 0.64 -1.86 0.04 0.00 -2.10 0.00 0.00 70.33 67.05 1o1u n THR 48 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1o1u s TRP 49 N -1.73 3.27 0.05 4.78 -0.11 -1.19 -2.84 118.94 121.18 1o1u s TRP 49 Ca 0.37 1.38 -0.20 0.00 1.22 0.00 0.00 56.10 58.88 1o1u s TRP 49 Cb 0.18 -2.83 0.04 0.00 -1.50 0.00 0.00 33.47 29.36 1o1u s TRP 49 CO -0.08 -1.07 0.47 -1.12 -4.62 0.00 0.00 176.95 170.53 1o1u s SER 50 N -3.89 -0.36 0.03 5.86 0.01 0.09 -2.80 113.70 112.65 1o1u s SER 50 Ca 0.57 0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.96 1o1u s SER 50 Cb -0.13 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 66.54 1o1u s SER 50 CO 0.54 -0.71 -0.17 -1.10 0.41 0.00 0.00 173.24 172.21 1o1u s GLN 51 N -2.56 1.19 -0.01 12.44 -0.21 -0.26 -1.33 119.66 128.92 1o1u s GLN 51 Ca -0.05 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 54.54 1o1u s GLN 51 Cb -0.01 -1.23 -0.00 0.00 1.00 0.00 0.00 33.01 32.77 1o1u s GLN 51 CO -0.03 0.32 -0.05 -1.01 -2.12 0.00 0.00 175.29 172.40 1o1u s HIS 52 N -0.75 0.47 -0.47 0.91 3.76 -0.68 -1.37 115.29 117.16 1o1u s HIS 52 Ca 0.05 -0.09 0.06 0.00 -0.15 0.00 0.00 55.06 54.93 1o1u s HIS 52 Cb -0.08 -0.31 0.28 0.00 1.11 0.00 0.00 32.58 33.58 1o1u s HIS 52 CO 0.01 -0.01 0.99 2.48 -0.85 0.00 0.00 174.74 177.36 1o1u n TYR 53 N 3.00 -2.93 0.00 1.40 4.11 -1.19 -1.19 117.16 120.35 1o1u n TYR 53 Ca -0.13 -2.05 0.00 0.00 -0.00 0.00 0.00 57.90 55.72 1o1u n TYR 53 Cb 0.58 1.49 0.00 0.00 -0.00 0.00 0.00 39.34 41.41 1o1u n TYR 53 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1o1u n SER 54 N 0.96 0.00 -4.57 9.48 2.88 -1.26 -4.67 113.62 116.44 1o1u n SER 54 Ca 0.08 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.40 1o1u n SER 54 Cb 0.66 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.05 1o1u n SER 54 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1o1u s GLY 55 N 0.00 -0.28 0.00 0.46 0.00 -1.26 -2.24 107.32 104.01 1o1u s GLY 55 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1o1u s GLY 55 CO 0.00 3.81 0.00 0.61 0.00 0.00 0.00 173.10 177.52 1o1u n GLY 56 N 6.43 2.81 3.74 0.20 0.00 -1.26 -5.11 105.19 111.99 1o1u n GLY 56 Ca 0.43 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1o1u n GLY 56 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1o1u s HIS 57 N 0.00 3.17 -0.26 1.61 5.04 -0.95 -5.00 115.29 118.89 1o1u s HIS 57 Ca 0.00 1.14 -0.01 0.00 -1.54 0.00 0.00 55.06 54.65 1o1u s HIS 57 Cb 0.00 -3.69 0.14 0.00 0.04 0.00 0.00 32.58 29.07 1o1u s HIS 57 CO 0.00 -2.19 0.37 0.99 -2.34 0.00 0.00 174.74 171.57 1o1u s THR 58 N 0.08 -0.58 0.51 0.89 2.01 -1.26 -3.19 115.64 114.11 1o1u s THR 58 Ca 0.58 -0.18 -0.14 0.00 0.31 0.00 0.00 61.69 62.25 1o1u s THR 58 Cb -0.39 -0.87 -0.07 0.00 0.01 0.00 0.00 72.50 71.18 1o1u s THR 58 CO 0.40 -0.21 0.95 -0.32 -0.69 0.00 0.00 174.62 174.75 1o1u s MET 59 N 2.51 3.86 -0.00 4.92 0.00 -0.47 -4.92 119.30 125.19 1o1u s MET 59 Ca 0.11 0.82 -0.02 0.00 0.00 0.00 0.00 55.69 56.60 1o1u s MET 59 Cb -0.14 -2.18 -0.00 0.00 0.00 0.00 0.00 34.83 32.50 1o1u s MET 59 CO -0.21 -0.28 0.04 0.99 0.00 0.00 0.00 175.02 175.56 1o1u s THR 60 N -2.67 0.06 -0.49 10.11 2.01 -1.26 -1.10 115.64 122.30 1o1u s THR 60 Ca 0.57 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 62.15 1o1u s THR 60 Cb -0.10 -0.22 0.23 0.00 0.01 0.00 0.00 72.50 72.41 1o1u s THR 60 CO 0.35 -0.27 0.55 0.59 -0.69 0.00 0.00 174.62 175.15 1o1u n ASN 61 N 2.17 1.27 -4.76 3.53 4.13 -1.12 -4.53 115.26 115.95 1o1u n ASN 61 Ca -0.19 -2.88 -0.37 0.00 1.68 0.00 0.00 54.58 52.82 1o1u n ASN 61 Cb 0.57 -0.64 0.02 0.00 -1.54 0.00 0.00 39.78 38.18 1o1u n ASN 61 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1o1u s LYS 62 N -1.33 3.32 0.22 3.52 -2.85 -1.26 -3.14 119.74 118.22 1o1u s LYS 62 Ca 0.35 1.84 -0.23 0.00 -1.00 0.00 0.00 55.97 56.94 1o1u s LYS 62 Cb 0.12 -2.16 0.04 0.00 -2.06 0.00 0.00 37.83 33.78 1o1u s LYS 62 CO -0.11 -0.93 0.78 -0.59 0.10 0.00 0.00 175.35 174.61 1o1u s PHE 63 N -1.55 -0.21 -0.07 1.78 -0.12 -1.19 -4.81 117.98 111.81 1o1u s PHE 63 Ca 0.71 -0.16 0.02 0.00 -0.05 0.00 0.00 56.93 57.45 1o1u s PHE 63 Cb -0.30 0.67 0.02 0.00 -0.63 0.00 0.00 43.02 42.77 1o1u s PHE 63 CO 0.35 -1.05 -0.10 0.99 -0.05 0.00 0.00 175.22 175.36 1o1u s THR 64 N -3.69 1.01 0.14 -4.49 2.01 -1.26 0.37 115.64 109.73 1o1u s THR 64 Ca 0.10 -0.39 -0.20 0.00 0.31 0.00 0.00 61.69 61.51 1o1u s THR 64 Cb -0.04 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.45 1o1u s THR 64 CO 0.03 0.33 0.65 0.68 -0.69 0.00 0.00 174.62 175.62 1o1u s VAL 65 N 0.83 4.64 -0.83 3.82 -7.23 -0.68 -2.35 120.40 118.60 1o1u s VAL 65 Ca -0.12 1.27 0.00 0.00 -1.81 0.00 0.00 61.98 61.32 1o1u s VAL 65 Cb -0.15 -3.91 0.00 0.00 0.56 0.00 0.00 36.38 32.88 1o1u s VAL 65 CO 0.02 0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.82 1o1u n GLY 66 N 1.27 0.95 1.69 2.32 0.00 0.81 -4.83 105.19 107.41 1o1u n GLY 66 Ca -0.06 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1o1u n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o1u n LYS 67 N -2.35 0.00 0.00 1.61 4.81 -1.16 -5.08 118.16 115.99 1o1u n LYS 67 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1o1u n LYS 67 Cb 0.31 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.36 1o1u n LYS 67 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1o1u n GLU 68 N -2.35 0.00 -3.44 1.64 0.28 -0.99 -4.88 120.64 110.89 1o1u n GLU 68 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1o1u n GLU 68 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1o1u n GLU 68 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1o1u s SER 69 N 0.00 -0.57 -1.12 -1.84 0.01 -1.10 -4.50 113.70 104.57 1o1u s SER 69 Ca 0.00 0.10 -0.23 0.00 1.31 0.00 0.00 55.95 57.13 1o1u s SER 69 Cb 0.00 0.58 -0.08 0.00 0.21 0.00 0.00 66.02 66.73 1o1u s SER 69 CO 0.00 -0.90 1.94 0.20 0.41 0.00 0.00 173.24 174.90 1o1u s ASN 70 N -2.51 5.03 0.10 2.44 -0.87 -1.26 -2.80 114.94 115.07 1o1u s ASN 70 Ca -0.00 -1.45 -0.29 0.00 -1.57 0.00 0.00 52.86 49.55 1o1u s ASN 70 Cb -0.01 -2.58 -0.06 0.00 -0.02 0.00 0.00 41.25 38.58 1o1u s ASN 70 CO -0.09 -3.04 0.91 -0.63 -2.57 0.00 0.00 177.10 171.68 1o1u s ILE 71 N 10.93 4.54 0.25 0.60 1.01 0.15 -4.80 121.20 133.88 1o1u s ILE 71 Ca 0.69 1.97 -0.08 0.00 0.00 0.00 0.00 60.65 63.22 1o1u s ILE 71 Cb -0.02 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 38.11 1o1u s ILE 71 CO 0.10 0.34 0.56 0.00 0.00 0.00 0.00 174.94 175.94 1o1u s GLN 72 N -0.06 3.76 0.36 2.79 -2.07 -1.26 -1.48 119.66 121.69 1o1u s GLN 72 Ca 0.45 0.22 0.04 0.00 -1.82 0.00 0.00 55.36 54.24 1o1u s GLN 72 Cb -0.23 -2.64 -0.04 0.00 -1.09 0.00 0.00 33.01 29.02 1o1u s GLN 72 CO 0.28 0.28 0.12 0.95 -1.32 0.00 0.00 175.29 175.60 1o1u s THR 73 N -1.91 0.64 -0.66 3.63 -4.23 -1.26 -4.87 115.64 106.99 1o1u s THR 73 Ca 0.47 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1o1u s THR 73 Cb -0.11 -2.49 0.32 0.00 1.34 0.00 0.00 72.50 71.56 1o1u s THR 73 CO 0.24 0.00 2.15 0.23 -0.54 0.00 0.00 174.62 176.69 1o1u n MET 74 N -0.76 2.55 0.00 3.99 0.00 -1.26 -4.90 117.12 116.74 1o1u n MET 74 Ca -0.03 -3.01 0.00 0.00 0.00 0.00 0.00 57.70 54.66 1o1u n MET 74 Cb 0.65 -2.17 0.00 0.00 0.00 0.00 0.00 33.22 31.70 1o1u n MET 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1o1u n GLY 75 N -0.35 5.45 0.22 3.03 0.00 -1.26 -5.01 105.19 107.27 1o1u n GLY 75 Ca 0.53 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 1o1u n GLY 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1o1u h GLY 76 N 0.00 0.86 -2.18 -0.02 0.00 -1.91 -3.49 103.07 96.33 1o1u h GLY 76 Ca 0.00 -1.10 0.12 0.00 0.00 0.00 0.00 47.33 46.36 1o1u h GLY 76 CO 0.00 0.98 0.36 -1.59 0.00 0.00 0.00 176.54 176.29 1o1u s LYS 77 N -3.93 1.49 0.92 4.80 -2.85 -1.26 -5.13 119.74 113.78 1o1u s LYS 77 Ca -0.11 -0.82 -0.12 0.00 -1.00 0.00 0.00 55.97 53.92 1o1u s LYS 77 Cb 0.09 0.51 0.14 0.00 -2.06 0.00 0.00 37.83 36.51 1o1u s LYS 77 CO 0.88 -0.68 1.09 -0.08 0.10 0.00 0.00 175.35 176.66 1o1u s THR 78 N -3.60 2.53 0.24 3.79 -1.32 -1.26 -4.43 115.64 111.59 1o1u s THR 78 Ca 0.12 0.17 -0.12 0.00 -1.21 0.00 0.00 61.69 60.65 1o1u s THR 78 Cb -0.04 -2.66 -0.01 0.00 -1.51 0.00 0.00 72.50 68.29 1o1u s THR 78 CO 0.04 -0.23 0.45 -0.36 -2.21 0.00 0.00 174.62 172.32 1o1u s PHE 79 N -2.94 0.38 -1.05 9.09 0.40 -0.55 -4.98 117.98 118.33 1o1u s PHE 79 Ca 0.64 -0.74 -0.06 0.00 -0.60 0.00 0.00 56.93 56.18 1o1u s PHE 79 Cb -0.18 0.14 0.28 0.00 0.51 0.00 0.00 43.02 43.77 1o1u s PHE 79 CO 0.57 -0.95 1.15 1.17 0.70 0.00 0.00 175.22 177.85 1o1u n LYS 80 N -0.36 3.61 -2.00 0.44 4.81 -1.26 0.33 118.16 123.73 1o1u n LYS 80 Ca -0.02 -4.50 -0.30 0.00 -0.87 0.00 0.00 58.31 52.61 1o1u n LYS 80 Cb 0.62 -2.50 0.01 0.00 0.02 0.00 0.00 35.03 33.18 1o1u n LYS 80 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1o1u s ALA 81 N -1.79 3.13 -0.40 3.14 0.00 -1.12 -4.74 121.76 119.98 1o1u s ALA 81 Ca 0.31 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.99 1o1u s ALA 81 Cb -0.04 -2.99 0.07 0.00 0.00 0.00 0.00 23.12 20.16 1o1u s ALA 81 CO -0.03 -0.69 0.21 0.99 0.00 0.00 0.00 175.76 176.24 1o1u s THR 82 N -3.13 4.04 0.41 0.00 2.01 -1.20 -2.72 115.64 115.04 1o1u s THR 82 Ca 0.54 -1.37 -0.22 0.00 0.31 0.00 0.00 61.69 60.95 1o1u s THR 82 Cb -0.11 -3.44 -0.11 0.00 0.01 0.00 0.00 72.50 68.85 1o1u s THR 82 CO 0.52 -0.43 0.96 -0.69 -0.69 0.00 0.00 174.62 174.29 1o1u s VAL 83 N 1.40 4.30 0.16 3.82 1.01 -1.26 -3.59 120.40 126.24 1o1u s VAL 83 Ca 0.02 1.55 0.02 0.00 0.00 0.00 0.00 61.98 63.58 1o1u s VAL 83 Cb -0.22 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1o1u s VAL 83 CO 0.02 -0.19 0.16 0.00 0.00 0.00 0.00 175.10 175.09 1o1u n GLN 84 N -0.34 0.23 -4.13 2.72 6.02 0.98 -0.13 117.38 122.73 1o1u n GLN 84 Ca 0.06 -1.47 -0.13 0.00 -0.01 0.00 0.00 57.00 55.45 1o1u n GLN 84 Cb 0.53 1.27 -0.11 0.00 1.02 0.00 0.00 30.24 32.95 1o1u n GLN 84 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1o1u s MET 85 N -2.55 0.73 -0.38 -1.09 1.75 -1.26 -0.91 119.30 115.58 1o1u s MET 85 Ca 0.17 -1.04 0.10 0.00 -1.25 0.00 0.00 55.69 53.67 1o1u s MET 85 Cb 0.00 -0.39 0.29 0.00 2.84 0.00 0.00 34.83 37.58 1o1u s MET 85 CO 0.12 0.05 0.61 -0.85 -0.65 0.00 0.00 175.02 174.30 1o1u n GLU 86 N 0.80 0.83 0.00 4.11 0.28 0.06 -4.86 120.64 121.85 1o1u n GLU 86 Ca -0.18 -3.30 0.00 0.00 -0.16 0.00 0.00 57.16 53.53 1o1u n GLU 86 Cb 0.57 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 32.01 1o1u n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1o1u n GLY 87 N 0.93 1.52 2.75 -1.84 0.00 -1.26 -3.91 105.19 103.38 1o1u n GLY 87 Ca 0.23 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 1o1u n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 88 N 0.00 5.58 3.43 -0.02 0.00 -1.26 -4.93 105.19 108.00 1o1u n GLY 88 Ca 0.00 -2.42 -0.15 0.00 0.00 0.00 0.00 46.02 43.45 1o1u n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o1u s LYS 89 N -3.96 1.04 0.21 1.61 2.20 -1.25 -4.16 119.74 115.43 1o1u s LYS 89 Ca 0.55 -0.06 0.09 0.00 -0.36 0.00 0.00 55.97 56.19 1o1u s LYS 89 Cb 0.46 0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 37.21 1o1u s LYS 89 CO -0.31 -0.36 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.08 1o1u s LEU 90 N -1.70 3.04 0.02 5.43 2.96 0.44 -0.76 118.68 128.11 1o1u s LEU 90 Ca -0.08 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.26 1o1u s LEU 90 Cb -0.01 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 1o1u s LEU 90 CO 0.02 0.07 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.33 1o1u s VAL 91 N -1.92 0.76 0.12 1.68 1.01 -0.09 -1.86 120.40 120.10 1o1u s VAL 91 Ca 0.27 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1o1u s VAL 91 Cb -0.08 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.64 1o1u s VAL 91 CO 0.17 -0.02 0.46 0.54 0.00 0.00 0.00 175.10 176.25 1o1u s VAL 92 N -0.71 0.05 -0.15 2.92 0.11 -0.05 -0.02 120.40 122.56 1o1u s VAL 92 Ca -0.01 -0.39 -0.05 0.00 -2.93 0.00 0.00 61.98 58.60 1o1u s VAL 92 Cb -0.06 -1.09 0.07 0.00 -1.53 0.00 0.00 36.38 33.76 1o1u s VAL 92 CO 0.00 -0.22 0.30 0.54 -3.33 0.00 0.00 175.10 172.40 1o1u s ASN 93 N -2.65 0.22 0.32 3.54 2.20 -1.24 -2.17 114.94 115.16 1o1u s ASN 93 Ca 0.01 0.68 0.04 0.00 -0.94 0.00 0.00 52.86 52.65 1o1u s ASN 93 Cb 0.01 0.85 -0.02 0.00 -2.00 0.00 0.00 41.25 40.09 1o1u s ASN 93 CO -0.11 -0.24 0.47 -0.36 -2.94 0.00 0.00 177.10 173.93 1o1u s PHE 94 N 2.46 3.30 -1.43 1.54 0.40 -0.83 -3.27 117.98 120.15 1o1u s PHE 94 Ca 0.01 -0.01 -0.09 0.00 -0.60 0.00 0.00 56.93 56.24 1o1u s PHE 94 Cb -0.12 -1.88 -0.09 0.00 0.51 0.00 0.00 43.02 41.44 1o1u s PHE 94 CO -0.10 0.12 2.88 -0.35 0.70 0.00 0.00 175.22 178.47 1o1u n PRO 95 N -1.64 3.37 0.00 0.24 -0.04 -1.26 -4.04 135.00 131.64 1o1u n PRO 95 Ca -0.04 -2.02 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1o1u n PRO 95 Cb 0.57 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1o1u n PRO 95 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1o1u n ASN 96 N 3.61 0.00 -4.85 3.54 4.13 -1.26 -5.15 115.26 115.27 1o1u n ASN 96 Ca 0.72 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.73 1o1u n ASN 96 Cb 0.25 0.15 -0.03 0.00 -1.54 0.00 0.00 39.78 38.61 1o1u n ASN 96 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1o1u s TYR 97 N -0.84 2.10 0.10 3.10 1.13 -1.26 -4.65 117.35 117.04 1o1u s TYR 97 Ca 0.00 -0.71 0.04 0.00 -1.41 0.00 0.00 57.07 54.99 1o1u s TYR 97 Cb 0.00 -1.97 -0.04 0.00 -1.10 0.00 0.00 41.96 38.85 1o1u s TYR 97 CO 0.00 -0.22 -0.10 -1.58 -2.51 0.00 0.00 175.55 171.14 1o1u s HIS 98 N -2.67 1.07 0.06 -3.49 5.65 0.14 -1.97 115.29 114.08 1o1u s HIS 98 Ca 0.38 -0.66 -0.18 0.00 0.25 0.00 0.00 55.06 54.84 1o1u s HIS 98 Cb -0.01 -0.58 0.04 0.00 -1.18 0.00 0.00 32.58 30.85 1o1u s HIS 98 CO 0.22 -0.00 0.42 -1.14 -0.65 0.00 0.00 174.74 173.60 1o1u s GLN 99 N -2.85 0.96 -0.23 2.88 -0.44 -0.92 0.55 119.66 119.61 1o1u s GLN 99 Ca 0.06 -0.42 -0.04 0.00 -2.50 0.00 0.00 55.36 52.46 1o1u s GLN 99 Cb -0.02 0.43 0.08 0.00 -1.64 0.00 0.00 33.01 31.85 1o1u s GLN 99 CO -0.00 -0.34 0.11 0.95 0.50 0.00 0.00 175.29 176.50 1o1u s THR 100 N -2.75 -0.05 0.81 -0.34 -4.23 -1.13 -0.87 115.64 107.08 1o1u s THR 100 Ca -0.04 -0.46 -0.11 0.00 -1.18 0.00 0.00 61.69 59.90 1o1u s THR 100 Cb -0.00 -0.78 0.08 0.00 1.34 0.00 0.00 72.50 73.13 1o1u s THR 100 CO -0.04 -0.49 1.09 -0.55 -0.54 0.00 0.00 174.62 174.09 1o1u s SER 101 N 2.11 4.34 -0.30 3.99 0.15 -0.78 -3.04 113.70 120.18 1o1u s SER 101 Ca 0.05 1.37 -0.09 0.00 0.70 0.00 0.00 55.95 57.98 1o1u s SER 101 Cb -0.16 -2.10 0.16 0.00 -1.71 0.00 0.00 66.02 62.21 1o1u s SER 101 CO -0.22 -2.07 0.75 -0.70 1.20 0.00 0.00 173.24 172.20 1o1u s GLU 102 N -5.10 0.47 0.31 5.44 2.12 -0.21 -0.42 118.70 121.30 1o1u s GLU 102 Ca 0.61 1.04 -0.15 0.00 0.36 0.00 0.00 54.97 56.83 1o1u s GLU 102 Cb -0.15 0.61 -0.09 0.00 0.26 0.00 0.00 34.13 34.76 1o1u s GLU 102 CO 0.55 -0.31 0.72 0.42 -0.54 0.00 0.00 175.26 176.10 1o1u s ILE 103 N 2.80 4.69 -0.43 -3.70 -1.09 -1.26 -0.63 121.20 121.57 1o1u s ILE 103 Ca 0.04 0.94 0.06 0.00 -2.23 0.00 0.00 60.65 59.46 1o1u s ILE 103 Cb -0.11 -3.63 0.22 0.00 -1.58 0.00 0.00 42.46 37.35 1o1u s ILE 103 CO -0.18 -0.14 0.47 0.52 -1.23 0.00 0.00 174.94 174.38 1o1u n VAL 104 N -0.24 -0.55 0.00 2.92 0.31 0.37 -4.87 118.33 116.28 1o1u n VAL 104 Ca 0.03 -3.92 0.00 0.00 -0.01 0.00 0.00 64.34 60.43 1o1u n VAL 104 Cb 0.53 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 1o1u n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1o1u n GLY 105 N 1.93 1.78 2.32 2.92 0.00 -1.26 -3.36 105.19 109.52 1o1u n GLY 105 Ca 0.25 0.19 -0.16 0.00 0.00 0.00 0.00 46.02 46.30 1o1u n GLY 105 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1o1u n ASP 106 N 4.53 1.09 -3.55 1.61 8.00 -1.26 -5.05 116.55 121.91 1o1u n ASP 106 Ca 0.00 -2.96 -0.00 0.00 0.71 0.00 0.00 54.79 52.54 1o1u n ASP 106 Cb 0.00 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.45 1o1u n ASP 106 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1o1u s LYS 107 N -2.63 0.30 -0.13 -1.24 2.20 -1.21 -3.86 119.74 113.18 1o1u s LYS 107 Ca 0.37 0.59 -0.06 0.00 -0.36 0.00 0.00 55.97 56.51 1o1u s LYS 107 Cb 0.38 0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.84 1o1u s LYS 107 CO -0.05 -0.08 0.10 -1.17 -0.36 0.00 0.00 175.35 173.79 1o1u s LEU 108 N 1.69 4.14 0.18 5.43 2.96 0.18 -0.48 118.68 132.79 1o1u s LEU 108 Ca -0.07 0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1o1u s LEU 108 Cb -0.04 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 1o1u s LEU 108 CO -0.15 0.36 0.10 0.68 -1.32 0.00 0.00 176.35 176.01 1o1u s VAL 109 N -0.72 0.11 0.26 1.68 -7.23 0.19 0.55 120.40 115.25 1o1u s VAL 109 Ca 0.13 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.29 1o1u s VAL 109 Cb -0.12 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 1o1u s VAL 109 CO 0.03 -0.19 0.33 -1.61 -0.31 0.00 0.00 175.10 173.35 1o1u s GLU 110 N -4.10 1.54 -0.27 4.82 2.02 -1.07 -1.05 118.70 120.58 1o1u s GLU 110 Ca 0.33 -1.59 -0.00 0.00 0.02 0.00 0.00 54.97 53.73 1o1u s GLU 110 Cb 0.07 0.38 0.14 0.00 0.10 0.00 0.00 34.13 34.82 1o1u s GLU 110 CO 0.08 -0.59 0.37 0.54 0.02 0.00 0.00 175.26 175.68 1o1u s VAL 111 N -3.77 -0.56 0.76 2.63 0.11 -1.17 -3.00 120.40 115.40 1o1u s VAL 111 Ca 0.32 -0.28 -0.08 0.00 -2.93 0.00 0.00 61.98 59.01 1o1u s VAL 111 Cb 0.02 -0.93 0.09 0.00 -1.53 0.00 0.00 36.38 34.03 1o1u s VAL 111 CO 0.15 -0.29 1.08 -0.55 -3.33 0.00 0.00 175.10 172.17 1o1u s SER 112 N 2.49 4.47 -0.21 3.54 0.15 0.07 -2.83 113.70 121.38 1o1u s SER 112 Ca 0.10 0.39 -0.27 0.00 0.70 0.00 0.00 55.95 56.88 1o1u s SER 112 Cb -0.14 -0.90 0.08 0.00 -1.71 0.00 0.00 66.02 63.35 1o1u s SER 112 CO -0.26 -1.84 0.77 -0.89 1.20 0.00 0.00 173.24 172.22 1o1u s THR 113 N -3.38 0.00 -0.28 6.45 2.01 0.19 -2.58 115.64 118.05 1o1u s THR 113 Ca 0.63 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 62.38 1o1u s THR 113 Cb -0.09 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.52 1o1u s THR 113 CO 0.46 0.00 0.92 -0.51 -0.69 0.00 0.00 174.62 174.81 1o1u s ILE 114 N -0.11 0.00 0.00 1.82 2.07 -0.51 0.27 121.20 124.74 1o1u s ILE 114 Ca -0.02 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 1o1u s ILE 114 Cb -0.04 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.55 1o1u s ILE 114 CO 0.02 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1o1u n GLY 115 N 2.45 0.42 2.74 1.50 0.00 -1.26 -0.32 105.19 110.72 1o1u n GLY 115 Ca -0.13 0.28 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 1o1u n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 116 N 0.00 1.71 3.03 -0.02 0.00 -1.26 -5.11 105.19 103.54 1o1u n GLY 116 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 1o1u n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o1u s VAL 117 N -2.18 0.12 0.28 1.61 1.01 0.56 -5.16 120.40 116.65 1o1u s VAL 117 Ca 0.22 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1o1u s VAL 117 Cb 0.40 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 36.22 1o1u s VAL 117 CO -0.05 -0.54 0.04 -0.89 0.00 0.00 0.00 175.10 173.66 1o1u s THR 118 N -1.83 0.99 -0.25 3.92 2.01 -1.26 -1.42 115.64 117.79 1o1u s THR 118 Ca -0.12 -2.01 -0.03 0.00 0.31 0.00 0.00 61.69 59.84 1o1u s THR 118 Cb -0.07 -2.60 0.14 0.00 0.01 0.00 0.00 72.50 69.99 1o1u s THR 118 CO -0.02 -0.12 0.42 -0.47 -0.69 0.00 0.00 174.62 173.75 1o1u s TYR 119 N -3.44 -0.98 0.34 4.92 5.04 -1.06 -4.51 117.35 117.65 1o1u s TYR 119 Ca 0.34 1.04 0.02 0.00 -2.44 0.00 0.00 57.07 56.03 1o1u s TYR 119 Cb 0.07 0.14 -0.03 0.00 0.35 0.00 0.00 41.96 42.50 1o1u s TYR 119 CO 0.13 -0.74 0.52 -1.21 -1.34 0.00 0.00 175.55 172.91 1o1u s GLU 120 N 2.61 3.40 0.18 4.97 2.02 -1.13 -0.75 118.70 130.00 1o1u s GLU 120 Ca 0.14 -0.47 -0.07 0.00 0.02 0.00 0.00 54.97 54.58 1o1u s GLU 120 Cb -0.15 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.36 1o1u s GLU 120 CO -0.17 0.14 0.25 -0.98 0.02 0.00 0.00 175.26 174.53 1o1u s ARG 121 N -4.28 1.18 -0.46 1.61 1.70 -1.16 -2.94 118.95 114.60 1o1u s ARG 121 Ca 0.40 -1.29 0.05 0.00 -0.47 0.00 0.00 55.73 54.42 1o1u s ARG 121 Cb -0.10 0.35 0.18 0.00 -0.57 0.00 0.00 34.95 34.82 1o1u s ARG 121 CO 0.35 -0.43 0.40 0.28 -1.08 0.00 0.00 175.30 174.82 1o1u n VAL 122 N -0.23 -0.61 -2.25 4.99 0.31 -0.99 -2.61 118.33 116.93 1o1u n VAL 122 Ca -0.05 -3.78 -0.36 0.00 -0.01 0.00 0.00 64.34 60.14 1o1u n VAL 122 Cb 0.63 -1.79 -0.04 0.00 -0.91 0.00 0.00 33.84 31.74 1o1u n VAL 122 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1o1u s SER 123 N -0.43 5.65 1.18 4.52 0.01 0.19 -1.34 113.70 123.48 1o1u s SER 123 Ca 0.32 -0.42 -0.13 0.00 1.31 0.00 0.00 55.95 57.03 1o1u s SER 123 Cb 0.05 -2.55 0.28 0.00 0.21 0.00 0.00 66.02 64.01 1o1u s SER 123 CO -0.18 -2.20 0.93 0.29 0.41 0.00 0.00 173.24 172.49 1o1u n LYS 124 N 9.09 -2.43 -3.59 12.44 4.76 -0.95 -0.64 118.16 136.84 1o1u n LYS 124 Ca 0.24 -0.68 -0.39 0.00 -2.87 0.00 0.00 58.31 54.61 1o1u n LYS 124 Cb 0.50 -2.13 -0.07 0.00 -1.84 0.00 0.00 35.03 31.49 1o1u n LYS 124 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1o1u s ARG 125 N -4.32 3.06 0.00 1.97 3.52 -1.25 -1.34 118.95 120.59 1o1u s ARG 125 Ca 0.68 -2.75 0.00 0.00 -0.13 0.00 0.00 55.73 53.52 1o1u s ARG 125 Cb -0.24 -3.98 0.00 0.00 -1.56 0.00 0.00 34.95 29.16 1o1u s ARG 125 CO 0.65 -1.23 0.00 1.47 -0.81 0.00 0.00 175.30 175.39 1o1u n LEU 126 N 3.24 0.00 0.00 -0.88 -0.00 -1.18 -4.97 117.00 113.21 1o1u n LEU 126 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 1o1u n LEU 126 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1o1u n LEU 126 CO 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.74