#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 1.34 -3.50 0.00 3.72 -1.26 -4.72 117.46 113.03 1o1u n PHE 2 Ca 0.00 -0.94 0.01 0.00 -0.05 0.00 0.00 57.45 56.47 1o1u n PHE 2 Cb 0.00 -1.94 -0.04 0.00 -0.94 0.00 0.00 39.48 36.56 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 10.46 -0.78 -5.00 4.37 2.01 -1.26 -1.77 115.64 123.67 1o1u s THR 3 Ca 0.70 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1o1u s THR 3 Cb 0.06 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1o1u s THR 3 CO 0.20 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 1o1u n GLY 4 N 5.26 -0.90 3.90 4.40 0.00 -0.65 -4.94 105.19 112.26 1o1u n GLY 4 Ca -0.10 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.59 3.46 0.13 1.61 2.20 -1.26 -0.97 119.74 123.32 1o1u s LYS 5 Ca 0.00 -0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 55.29 1o1u s LYS 5 Cb 0.00 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 33.20 1o1u s LYS 5 CO 0.00 0.68 0.18 -0.06 -0.36 0.00 0.00 175.35 175.79 1o1u s PHE 6 N -1.29 0.47 -0.08 4.03 0.40 0.13 -3.17 117.98 118.47 1o1u s PHE 6 Ca 0.26 -0.87 -0.04 0.00 -0.60 0.00 0.00 56.93 55.68 1o1u s PHE 6 Cb -0.13 -0.19 0.03 0.00 0.51 0.00 0.00 43.02 43.25 1o1u s PHE 6 CO 0.17 -0.60 0.18 -1.21 0.70 0.00 0.00 175.22 174.46 1o1u s GLU 7 N -3.96 0.16 0.14 0.44 2.02 -0.66 -0.69 118.70 116.15 1o1u s GLU 7 Ca 0.15 0.38 -0.35 0.00 0.02 0.00 0.00 54.97 55.18 1o1u s GLU 7 Cb 0.05 -0.08 -0.15 0.00 0.10 0.00 0.00 34.13 34.05 1o1u s GLU 7 CO -0.03 -0.12 1.49 -0.12 0.02 0.00 0.00 175.26 176.49 1o1u n MET 8 N 3.87 1.80 -0.08 1.61 0.00 0.74 -2.32 117.12 122.74 1o1u n MET 8 Ca -0.22 0.65 -0.16 0.00 -0.00 0.00 0.00 57.70 57.97 1o1u n MET 8 Cb 0.54 -2.37 -0.05 0.00 0.00 0.00 0.00 33.22 31.34 1o1u n MET 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1o1u n GLU 9 N 3.05 0.38 -4.25 2.12 -0.58 -1.04 -4.20 120.64 116.11 1o1u n GLU 9 Ca 0.17 0.16 -0.14 0.00 -0.42 0.00 0.00 57.16 56.94 1o1u n GLU 9 Cb 0.26 -1.14 -0.10 0.00 -0.57 0.00 0.00 31.44 29.89 1o1u n GLU 9 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1o1u s SER 10 N -6.46 1.04 0.31 1.62 1.04 -1.26 -4.90 113.70 105.08 1o1u s SER 10 Ca -0.24 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 54.97 1o1u s SER 10 Cb 0.08 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.32 1o1u s SER 10 CO 0.31 -0.65 0.10 -1.61 0.98 0.00 0.00 173.24 172.37 1o1u s GLU 11 N -3.98 1.59 -0.22 4.02 2.02 -1.26 -3.30 118.70 117.57 1o1u s GLU 11 Ca 0.29 -1.90 -0.15 0.00 0.02 0.00 0.00 54.97 53.23 1o1u s GLU 11 Cb 0.07 -0.47 0.07 0.00 0.10 0.00 0.00 34.13 33.89 1o1u s GLU 11 CO 0.07 -0.32 0.57 0.21 0.02 0.00 0.00 175.26 175.81 1o1u s LYS 12 N -3.91 0.60 -0.90 1.61 2.20 -0.76 -4.92 119.74 113.67 1o1u s LYS 12 Ca 0.35 0.95 0.00 0.00 -0.36 0.00 0.00 55.97 56.90 1o1u s LYS 12 Cb 0.07 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 1o1u s LYS 12 CO 0.15 -0.13 0.00 0.09 -0.36 0.00 0.00 175.35 175.10 1o1u n ASN 13 N 3.74 -5.66 -0.06 1.43 3.02 -1.26 -1.98 115.26 114.49 1o1u n ASN 13 Ca -0.19 0.21 -0.16 0.00 -0.03 0.00 0.00 54.58 54.42 1o1u n ASN 13 Cb 0.57 -3.91 -0.06 0.00 -0.61 0.00 0.00 39.78 35.78 1o1u n ASN 13 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1o1u h TYR 14 N 0.00 1.03 -0.05 3.10 -0.00 -1.87 -2.79 116.97 116.40 1o1u h TYR 14 Ca -0.17 -0.40 -0.00 0.00 -0.00 0.00 0.00 58.73 58.16 1o1u h TYR 14 Cb 1.10 -0.18 -0.00 0.00 -0.00 0.00 0.00 36.73 37.64 1o1u h TYR 14 CO 0.58 1.22 0.03 0.22 -0.00 0.00 0.00 178.16 180.21 1o1u h ASP 15 N 0.56 0.06 -0.24 0.10 1.82 -1.92 0.22 116.42 117.01 1o1u h ASP 15 Ca -0.01 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 1o1u h ASP 15 Cb 1.20 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.18 1o1u h ASP 15 CO 0.13 0.08 0.11 -0.33 -1.61 0.00 0.00 179.24 177.61 1o1u h GLU 16 N 0.05 0.36 -0.98 0.28 5.08 -1.93 0.95 114.58 118.38 1o1u h GLU 16 Ca 0.02 -0.06 0.17 0.00 -1.00 0.00 0.00 59.36 58.49 1o1u h GLU 16 Cb 0.02 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.12 1o1u h GLU 16 CO -0.00 0.37 0.61 0.35 -1.00 0.00 0.00 179.01 179.34 1o1u h PHE 17 N 0.26 1.00 -0.33 4.33 3.57 -1.08 0.96 116.94 125.65 1o1u h PHE 17 Ca 0.08 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 1o1u h PHE 17 Cb 0.14 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1o1u h PHE 17 CO -0.02 0.28 -0.22 0.52 -2.23 0.00 0.00 178.31 176.64 1o1u h MET 18 N 0.76 0.73 -0.18 1.11 2.86 0.10 0.17 114.93 120.49 1o1u h MET 18 Ca 0.54 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1o1u h MET 18 Cb 0.83 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1o1u h MET 18 CO -0.31 0.96 -0.03 1.57 1.06 0.00 0.00 176.91 180.15 1o1u h LYS 19 N 0.50 0.26 0.05 1.72 5.09 0.16 0.02 116.57 124.37 1o1u h LYS 19 Ca 0.07 -0.04 -0.00 0.00 0.09 0.00 0.00 60.65 60.76 1o1u h LYS 19 Cb 0.78 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 33.06 1o1u h LYS 19 CO 0.06 0.32 -0.02 -0.07 -2.09 0.00 0.00 179.45 177.64 1o1u h LEU 20 N 0.25 -0.06 -0.94 7.07 4.07 -1.14 -3.37 115.31 121.20 1o1u h LEU 20 Ca 0.06 -0.49 0.19 0.00 0.08 0.00 0.00 57.88 57.72 1o1u h LEU 20 Cb 0.23 0.01 -0.11 0.00 1.08 0.00 0.00 40.66 41.88 1o1u h LEU 20 CO 0.01 0.65 0.52 0.25 -1.08 0.00 0.00 178.44 178.79 1o1u h LEU 21 N -0.96 0.62 0.00 1.67 5.85 -0.15 -3.46 115.31 118.88 1o1u h LEU 21 Ca -0.01 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1o1u h LEU 21 Cb 0.54 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1o1u h LEU 21 CO 0.01 0.18 0.00 0.61 -0.34 0.00 0.00 178.44 178.90 1o1u n GLY 22 N -1.33 0.72 3.24 3.75 0.00 -0.05 -5.07 105.19 106.45 1o1u n GLY 22 Ca 0.22 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.86 1.01 0.56 -0.61 -1.09 -1.17 -5.07 121.20 113.96 1o1u s ILE 23 Ca 0.00 -2.02 -0.14 0.00 -2.23 0.00 0.00 60.65 56.26 1o1u s ILE 23 Cb 0.00 -1.89 -0.06 0.00 -1.58 0.00 0.00 42.46 38.93 1o1u s ILE 23 CO 0.00 -0.71 1.00 -0.55 -1.23 0.00 0.00 174.94 173.46 1o1u s SER 24 N -3.16 6.45 0.18 3.58 0.15 -1.26 -4.88 113.70 114.76 1o1u s SER 24 Ca 0.18 1.50 -0.13 0.00 0.70 0.00 0.00 55.95 58.20 1o1u s SER 24 Cb 0.04 -2.49 0.09 0.00 -1.71 0.00 0.00 66.02 61.95 1o1u s SER 24 CO 0.01 -0.71 1.81 0.77 1.20 0.00 0.00 173.24 176.31 1o1u h SER 25 N 0.37 0.73 -0.13 5.45 4.64 -2.01 -1.49 113.55 121.11 1o1u h SER 25 Ca -0.46 -0.07 0.04 0.00 -0.47 0.00 0.00 61.79 60.84 1o1u h SER 25 Cb 1.19 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 63.04 1o1u h SER 25 CO 0.62 0.59 -0.17 -0.78 -0.87 0.00 0.00 176.83 176.22 1o1u h ASP 26 N 0.81 -0.53 0.46 4.97 3.58 -2.00 -1.58 116.42 122.12 1o1u h ASP 26 Ca 0.21 0.10 -0.19 0.00 0.42 0.00 0.00 57.03 57.57 1o1u h ASP 26 Cb 0.00 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1o1u h ASP 26 CO -0.04 -0.22 -0.80 -0.37 -2.88 0.00 0.00 179.24 174.93 1o1u h VAL 27 N -0.22 1.44 -0.19 2.25 -1.51 -1.94 -2.85 116.25 113.23 1o1u h VAL 27 Ca 0.10 -2.39 0.06 0.00 -1.23 0.00 0.00 66.70 63.23 1o1u h VAL 27 Cb 0.36 2.30 -0.07 0.00 -2.13 0.00 0.00 31.29 31.75 1o1u h VAL 27 CO -0.26 0.70 -0.27 0.40 -1.23 0.00 0.00 177.57 176.91 1o1u h ILE 28 N 0.16 0.35 -0.51 7.19 2.04 -0.82 0.77 117.51 126.68 1o1u h ILE 28 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1o1u h ILE 28 Cb 1.39 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1o1u h ILE 28 CO 0.13 0.00 0.34 -0.33 0.00 0.00 0.00 178.15 178.29 1o1u h GLU 29 N -0.31 0.54 0.06 2.37 4.39 -1.16 -2.69 114.58 117.78 1o1u h GLU 29 Ca 0.12 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1o1u h GLU 29 Cb 0.49 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1o1u h GLU 29 CO -0.37 0.36 -0.03 0.87 -1.16 0.00 0.00 179.01 178.68 1o1u h LYS 30 N 0.55 -0.08 -0.96 2.33 1.57 -0.97 -2.68 116.57 116.33 1o1u h LYS 30 Ca 0.21 0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.27 1o1u h LYS 30 Cb 0.15 0.02 -0.18 0.00 0.08 0.00 0.00 32.23 32.30 1o1u h LYS 30 CO -0.06 0.45 0.05 0.00 -0.57 0.00 0.00 179.45 179.33 1o1u n ALA 31 N -2.44 0.52 0.43 3.86 0.00 0.13 0.55 120.51 123.56 1o1u n ALA 31 Ca -0.09 1.03 -0.18 0.00 0.00 0.00 0.00 53.44 54.20 1o1u n ALA 31 Cb 0.28 -0.77 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 1o1u n ALA 31 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1o1u h ARG 32 N 0.00 -1.06 -2.06 0.00 2.43 -1.49 -3.28 114.38 108.92 1o1u h ARG 32 Ca 0.60 0.07 -0.77 0.00 -0.81 0.00 0.00 59.98 59.07 1o1u h ARG 32 Cb 1.26 0.24 -0.28 0.00 -0.42 0.00 0.00 29.97 30.78 1o1u h ARG 32 CO -0.90 -0.70 0.99 -1.71 -1.51 0.00 0.00 179.97 176.15 1o1u n ASN 33 N -5.53 7.37 -3.55 -3.80 5.15 0.19 -4.86 115.26 110.24 1o1u n ASN 33 Ca -0.14 -3.79 -0.13 0.00 -0.60 0.00 0.00 54.58 49.92 1o1u n ASN 33 Cb 0.44 -1.08 -0.11 0.00 -0.53 0.00 0.00 39.78 38.50 1o1u n ASN 33 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1o1u s PHE 34 N -4.13 -0.54 -1.17 1.20 5.36 0.11 -4.85 117.98 113.96 1o1u s PHE 34 Ca 0.48 0.83 -0.22 0.00 -0.96 0.00 0.00 56.93 57.07 1o1u s PHE 34 Cb 0.36 -0.05 -0.07 0.00 -0.34 0.00 0.00 43.02 42.92 1o1u s PHE 34 CO -0.33 -0.52 1.91 1.63 -1.46 0.00 0.00 175.22 176.45 1o1u n LYS 35 N 5.35 1.85 -1.57 10.12 5.02 -1.26 -4.80 118.16 132.87 1o1u n LYS 35 Ca -0.06 -2.53 -0.41 0.00 -2.02 0.00 0.00 58.31 53.29 1o1u n LYS 35 Cb 0.50 -3.61 0.02 0.00 -0.02 0.00 0.00 35.03 31.91 1o1u n LYS 35 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1o1u n ILE 36 N 7.38 2.43 -3.83 -0.18 2.08 -1.26 -4.58 119.36 121.40 1o1u n ILE 36 Ca 0.46 -0.50 -0.28 0.00 0.56 0.00 0.00 62.75 62.99 1o1u n ILE 36 Cb 0.46 -0.98 -0.03 0.00 -0.75 0.00 0.00 39.64 38.33 1o1u n ILE 36 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1o1u s VAL 37 N -1.37 5.28 -0.03 1.39 1.01 -0.50 -0.19 120.40 126.00 1o1u s VAL 37 Ca 0.65 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1o1u s VAL 37 Cb -0.55 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.13 1o1u s VAL 37 CO 0.56 -0.08 0.13 -0.89 0.00 0.00 0.00 175.10 174.81 1o1u s THR 38 N -1.75 0.03 0.01 3.92 2.01 0.13 -0.64 115.64 119.35 1o1u s THR 38 Ca 0.36 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.07 1o1u s THR 38 Cb -0.11 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 1o1u s THR 38 CO 0.28 -0.15 0.02 -1.61 -0.69 0.00 0.00 174.62 172.47 1o1u s GLU 39 N -0.48 0.25 0.01 4.92 2.02 -0.48 0.21 118.70 125.15 1o1u s GLU 39 Ca -0.06 -0.36 -0.03 0.00 0.02 0.00 0.00 54.97 54.54 1o1u s GLU 39 Cb -0.04 0.09 -0.01 0.00 0.10 0.00 0.00 34.13 34.28 1o1u s GLU 39 CO 0.01 -0.05 0.04 0.08 0.02 0.00 0.00 175.26 175.36 1o1u s VAL 40 N -0.96 0.10 -0.23 2.63 1.01 -0.14 -0.41 120.40 122.40 1o1u s VAL 40 Ca -0.11 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1o1u s VAL 40 Cb -0.06 -0.36 0.10 0.00 0.00 0.00 0.00 36.38 36.06 1o1u s VAL 40 CO -0.00 -0.47 0.22 -1.58 0.00 0.00 0.00 175.10 173.27 1o1u s GLN 41 N -1.50 0.22 -1.07 2.72 0.74 -1.02 -1.63 119.66 118.12 1o1u s GLN 41 Ca -0.15 0.02 -0.21 0.00 0.05 0.00 0.00 55.36 55.08 1o1u s GLN 41 Cb -0.09 -1.09 0.08 0.00 1.10 0.00 0.00 33.01 33.01 1o1u s GLN 41 CO -0.00 -0.79 1.44 -1.14 -0.55 0.00 0.00 175.29 174.24 1o1u s GLN 42 N 2.30 3.70 -1.43 1.67 0.74 -0.73 -0.83 119.66 125.09 1o1u s GLN 42 Ca 0.08 -1.52 -0.14 0.00 0.05 0.00 0.00 55.36 53.83 1o1u s GLN 42 Cb -0.15 -5.28 0.06 0.00 1.10 0.00 0.00 33.01 28.74 1o1u s GLN 42 CO -0.20 -2.10 2.16 -0.40 -0.55 0.00 0.00 175.29 174.20 1o1u n ASP 43 N 8.09 4.08 0.00 6.67 5.75 -0.85 -4.92 116.55 135.37 1o1u n ASP 43 Ca 0.34 -2.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 1o1u n ASP 43 Cb 0.49 -1.64 0.00 0.00 -1.03 0.00 0.00 41.12 38.94 1o1u n ASP 43 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1o1u n GLY 44 N 3.97 -0.19 0.48 6.12 0.00 -1.26 -3.08 105.19 111.23 1o1u n GLY 44 Ca 0.50 -1.02 0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 0.16 -6.85 1.61 4.15 -1.94 -3.39 115.11 108.85 1o1u h GLN 45 Ca 0.00 -0.01 -0.48 0.00 0.77 0.00 0.00 58.65 58.93 1o1u h GLN 45 Cb 0.00 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1o1u h GLN 45 CO 0.00 0.10 0.18 0.34 -1.93 0.00 0.00 178.83 177.52 1o1u s ASP 46 N -5.19 6.77 0.27 -0.69 2.15 -1.18 -2.02 116.67 116.78 1o1u s ASP 46 Ca -0.07 1.38 0.08 0.00 0.43 0.00 0.00 52.55 54.37 1o1u s ASP 46 Cb 0.24 -2.42 -0.05 0.00 -0.30 0.00 0.00 42.92 40.39 1o1u s ASP 46 CO 0.80 -0.29 -0.10 -0.36 -0.17 0.00 0.00 175.17 175.05 1o1u s PHE 47 N -2.12 1.97 -0.50 -5.34 0.40 0.14 -2.00 117.98 110.53 1o1u s PHE 47 Ca 0.56 -0.61 0.04 0.00 -0.60 0.00 0.00 56.93 56.33 1o1u s PHE 47 Cb -0.10 -1.04 0.17 0.00 0.51 0.00 0.00 43.02 42.57 1o1u s PHE 47 CO 0.19 0.38 0.40 0.25 0.70 0.00 0.00 175.22 177.13 1o1u n THR 48 N -0.55 -0.37 -2.66 0.64 -2.24 -0.01 -3.37 114.28 105.72 1o1u n THR 48 Ca -0.06 -3.87 -0.26 0.00 -2.27 0.00 0.00 64.05 57.59 1o1u n THR 48 Cb 0.62 -1.82 0.01 0.00 -2.10 0.00 0.00 70.33 67.04 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 -0.44 3.45 0.01 4.78 -0.11 -1.20 -2.44 118.94 122.99 1o1u s TRP 49 Ca 0.31 0.68 -0.19 0.00 1.22 0.00 0.00 56.10 58.13 1o1u s TRP 49 Cb 0.02 -2.38 0.04 0.00 -1.50 0.00 0.00 33.47 29.65 1o1u s TRP 49 CO -0.19 -0.40 0.41 -1.12 -4.62 0.00 0.00 176.95 171.04 1o1u s SER 50 N -4.16 -0.30 -0.56 5.86 0.01 0.45 -3.19 113.70 111.82 1o1u s SER 50 Ca 0.49 0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.91 1o1u s SER 50 Cb -0.10 0.40 0.16 0.00 0.21 0.00 0.00 66.02 66.68 1o1u s SER 50 CO 0.44 -0.57 0.38 -1.10 0.41 0.00 0.00 173.24 172.79 1o1u s GLN 51 N -1.87 1.79 0.39 12.44 -0.21 -0.13 -1.38 119.66 130.69 1o1u s GLN 51 Ca -0.09 -2.69 -0.24 0.00 0.02 0.00 0.00 55.36 52.36 1o1u s GLN 51 Cb -0.02 -2.70 -0.09 0.00 1.00 0.00 0.00 33.01 31.19 1o1u s GLN 51 CO 0.02 -1.27 1.03 -1.01 -2.12 0.00 0.00 175.29 171.95 1o1u s HIS 52 N -0.59 3.32 -0.85 0.91 3.76 0.19 -2.78 115.29 119.24 1o1u s HIS 52 Ca 0.24 1.66 -0.02 0.00 -0.15 0.00 0.00 55.06 56.79 1o1u s HIS 52 Cb -0.09 -3.09 0.29 0.00 1.11 0.00 0.00 32.58 30.80 1o1u s HIS 52 CO -0.12 -0.51 2.12 0.66 -0.85 0.00 0.00 174.74 176.04 1o1u n TYR 53 N -0.03 2.71 -3.94 1.40 4.02 -0.85 -1.40 117.16 119.08 1o1u n TYR 53 Ca 0.05 -2.33 -0.30 0.00 -0.01 0.00 0.00 57.90 55.30 1o1u n TYR 53 Cb 0.50 -1.25 -0.07 0.00 -0.02 0.00 0.00 39.34 38.50 1o1u n TYR 53 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1o1u n SER 54 N -0.13 -0.56 0.00 7.72 2.88 -1.26 -4.69 113.62 117.58 1o1u n SER 54 Ca 0.52 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.06 1o1u n SER 54 Cb 0.28 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 1o1u n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1o1u n GLY 55 N -1.48 -0.91 0.27 0.46 0.00 -1.26 -5.03 105.19 97.24 1o1u n GLY 55 Ca -0.05 -0.86 0.01 0.00 0.00 0.00 0.00 46.02 45.12 1o1u n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1o1u h GLY 56 N 0.00 1.09 -7.28 -0.02 0.00 -2.02 -3.33 103.07 91.52 1o1u h GLY 56 Ca 0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 47.33 46.89 1o1u h GLY 56 CO 0.00 0.10 0.49 -1.58 0.00 0.00 0.00 176.54 175.55 1o1u s HIS 57 N -6.06 1.57 -0.55 5.60 5.65 -1.26 -4.87 115.29 115.36 1o1u s HIS 57 Ca -0.13 1.15 -0.19 0.00 0.25 0.00 0.00 55.06 56.14 1o1u s HIS 57 Cb 0.18 -3.81 0.08 0.00 -1.18 0.00 0.00 32.58 27.85 1o1u s HIS 57 CO 0.77 -1.59 0.67 0.99 -0.65 0.00 0.00 174.74 174.93 1o1u s THR 58 N 12.05 4.83 0.48 0.89 2.01 -1.25 -2.00 115.64 132.65 1o1u s THR 58 Ca 0.78 -0.73 -0.19 0.00 0.31 0.00 0.00 61.69 61.85 1o1u s THR 58 Cb -0.08 -4.40 -0.09 0.00 0.01 0.00 0.00 72.50 67.94 1o1u s THR 58 CO 0.04 -0.98 1.00 -0.32 -0.69 0.00 0.00 174.62 173.66 1o1u s MET 59 N 2.70 3.95 0.04 4.92 0.00 -1.12 -4.94 119.30 124.85 1o1u s MET 59 Ca 0.14 1.18 -0.12 0.00 0.00 0.00 0.00 55.69 56.88 1o1u s MET 59 Cb -0.22 -2.13 0.02 0.00 0.00 0.00 0.00 34.83 32.50 1o1u s MET 59 CO 0.09 -0.28 0.27 0.99 0.00 0.00 0.00 175.02 176.09 1o1u s THR 60 N -2.22 0.09 -0.54 10.11 2.01 -1.26 -0.95 115.64 122.87 1o1u s THR 60 Ca 0.63 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.98 1o1u s THR 60 Cb -0.12 -0.88 0.24 0.00 0.01 0.00 0.00 72.50 71.75 1o1u s THR 60 CO 0.21 -0.40 0.63 0.59 -0.69 0.00 0.00 174.62 174.97 1o1u n ASN 61 N 0.70 2.22 -4.78 3.53 5.03 -1.19 -3.81 115.26 116.95 1o1u n ASN 61 Ca -0.19 -3.11 -0.36 0.00 0.87 0.00 0.00 54.58 51.78 1o1u n ASN 61 Cb 0.59 -0.66 -0.03 0.00 -1.02 0.00 0.00 39.78 38.65 1o1u n ASN 61 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1o1u s LYS 62 N -1.84 4.08 0.06 3.52 -2.85 -1.26 -3.26 119.74 118.19 1o1u s LYS 62 Ca 0.37 1.55 -0.28 0.00 -1.00 0.00 0.00 55.97 56.61 1o1u s LYS 62 Cb 0.14 -2.50 0.09 0.00 -2.06 0.00 0.00 37.83 33.51 1o1u s LYS 62 CO -0.06 -0.23 1.13 -0.59 0.10 0.00 0.00 175.35 175.70 1o1u s PHE 63 N -1.65 -0.09 -0.02 1.78 -0.12 -1.22 -4.79 117.98 111.87 1o1u s PHE 63 Ca 0.59 -0.11 0.05 0.00 -0.05 0.00 0.00 56.93 57.41 1o1u s PHE 63 Cb -0.23 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 42.74 1o1u s PHE 63 CO 0.28 -0.54 -0.18 0.99 -0.05 0.00 0.00 175.22 175.73 1o1u s THR 64 N -2.84 1.42 0.19 -4.49 2.01 -1.26 -0.68 115.64 109.98 1o1u s THR 64 Ca 0.13 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 1o1u s THR 64 Cb 0.02 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 1o1u s THR 64 CO -0.01 0.40 0.39 0.68 -0.69 0.00 0.00 174.62 175.39 1o1u s VAL 65 N -0.25 5.19 -2.09 3.82 -7.23 -0.86 -2.24 120.40 116.74 1o1u s VAL 65 Ca 0.03 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 1o1u s VAL 65 Cb -0.09 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.15 1o1u s VAL 65 CO 0.00 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1o1u n GLY 66 N -0.45 1.40 2.01 2.32 0.00 0.20 -4.75 105.19 105.92 1o1u n GLY 66 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.54 0.00 0.00 1.61 4.81 -1.23 -5.09 118.16 115.72 1o1u n LYS 67 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 1o1u n LYS 67 Cb 0.68 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.73 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 -3.09 0.00 -3.67 1.64 0.28 -0.95 -4.93 120.64 109.92 1o1u n GLU 68 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 1o1u n GLU 68 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 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 -0.32 0.25 -1.84 0.01 -1.10 -4.45 113.70 106.24 1o1u s SER 69 Ca 0.00 -0.31 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 1o1u s SER 69 Cb 0.00 0.58 -0.09 0.00 0.21 0.00 0.00 66.02 66.72 1o1u s SER 69 CO 0.00 -1.02 1.00 0.54 0.41 0.00 0.00 173.24 174.18 1o1u s ASN 70 N -2.82 7.50 0.01 2.44 2.20 -1.26 -2.54 114.94 120.47 1o1u s ASN 70 Ca 0.08 2.06 0.02 0.00 -0.94 0.00 0.00 52.86 54.09 1o1u s ASN 70 Cb -0.03 -2.62 -0.01 0.00 -2.00 0.00 0.00 41.25 36.60 1o1u s ASN 70 CO -0.02 0.03 -0.07 -0.63 -2.94 0.00 0.00 177.10 173.48 1o1u s ILE 71 N -1.10 0.51 0.06 0.54 1.01 0.32 -4.87 121.20 117.68 1o1u s ILE 71 Ca 0.43 -0.44 -0.15 0.00 0.00 0.00 0.00 60.65 60.49 1o1u s ILE 71 Cb -0.28 -0.47 -0.22 0.00 0.01 0.00 0.00 42.46 41.50 1o1u s ILE 71 CO 0.35 0.03 1.19 1.56 0.00 0.00 0.00 174.94 178.08 1o1u h GLN 72 N 5.68 0.65 -2.45 2.79 1.08 -1.85 -1.85 115.11 119.16 1o1u h GLN 72 Ca -0.30 -0.67 0.25 0.00 -1.45 0.00 0.00 58.65 56.48 1o1u h GLN 72 Cb 1.19 0.18 -0.13 0.00 -0.05 0.00 0.00 27.48 28.67 1o1u h GLN 72 CO 0.48 1.26 -0.85 0.25 -0.95 0.00 0.00 178.83 179.02 1o1u n THR 73 N -3.96 -0.54 0.00 -0.54 -2.24 -1.26 -2.72 114.28 103.01 1o1u n THR 73 Ca -0.10 0.61 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1o1u n THR 73 Cb 0.81 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1o1u n THR 73 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1o1u n MET 74 N -3.67 0.00 0.00 -0.78 0.00 -1.26 -3.77 117.12 107.64 1o1u n MET 74 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.64 1o1u n MET 74 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.70 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 0.00 0.28 2.77 -5.12 0.00 -1.26 -4.99 105.19 96.87 1o1u n GLY 75 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1o1u n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 76 N 3.73 1.70 2.68 -0.02 0.00 -1.25 -4.91 105.19 107.14 1o1u n GLY 76 Ca 0.00 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 1o1u n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o1u n LYS 77 N -0.50 5.22 -0.97 1.61 5.02 -1.10 -5.03 118.16 122.41 1o1u n LYS 77 Ca 0.06 -4.54 -0.33 0.00 -2.02 0.00 0.00 58.31 51.48 1o1u n LYS 77 Cb 0.81 -2.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.45 1o1u n LYS 77 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1o1u n THR 78 N 0.34 1.17 -3.88 -0.18 5.66 -1.13 -4.70 114.28 111.57 1o1u n THR 78 Ca 0.45 -0.19 -0.08 0.00 -3.05 0.00 0.00 64.05 61.19 1o1u n THR 78 Cb 0.27 -0.98 -0.02 0.00 -1.55 0.00 0.00 70.33 68.05 1o1u n THR 78 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1o1u s PHE 79 N -2.26 -0.05 -0.13 1.09 0.40 -0.70 -4.99 117.98 111.34 1o1u s PHE 79 Ca 0.68 -0.40 -0.06 0.00 -0.60 0.00 0.00 56.93 56.54 1o1u s PHE 79 Cb -0.27 0.62 -0.04 0.00 0.51 0.00 0.00 43.02 43.84 1o1u s PHE 79 CO 0.57 -1.22 0.08 0.21 0.70 0.00 0.00 175.22 175.56 1o1u s LYS 80 N -3.80 3.53 0.07 0.44 2.20 -1.26 -0.52 119.74 120.39 1o1u s LYS 80 Ca 0.14 -0.27 -0.07 0.00 -0.36 0.00 0.00 55.97 55.41 1o1u s LYS 80 Cb -0.05 -3.11 -0.01 0.00 -1.51 0.00 0.00 37.83 33.15 1o1u s LYS 80 CO 0.08 0.59 0.13 0.00 -0.36 0.00 0.00 175.35 175.78 1o1u s ALA 81 N -0.50 -0.05 -0.47 3.13 0.00 -1.05 -4.41 121.76 118.40 1o1u s ALA 81 Ca 0.11 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.23 1o1u s ALA 81 Cb -0.12 0.39 0.09 0.00 0.00 0.00 0.00 23.12 23.48 1o1u s ALA 81 CO 0.02 -0.44 0.38 0.99 0.00 0.00 0.00 175.76 176.71 1o1u s THR 82 N -3.60 4.86 0.40 0.00 2.01 -1.22 -2.71 115.64 115.39 1o1u s THR 82 Ca 0.03 -1.33 -0.24 0.00 0.31 0.00 0.00 61.69 60.47 1o1u s THR 82 Cb 0.04 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 1o1u s THR 82 CO -0.09 -0.65 1.02 -0.69 -0.69 0.00 0.00 174.62 173.51 1o1u s VAL 83 N 1.55 3.89 0.31 3.82 1.01 -1.26 -3.91 120.40 125.81 1o1u s VAL 83 Ca 0.04 1.41 0.06 0.00 0.00 0.00 0.00 61.98 63.49 1o1u s VAL 83 Cb -0.26 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1o1u s VAL 83 CO 0.04 -0.03 0.25 -1.10 0.00 0.00 0.00 175.10 174.26 1o1u s GLN 84 N -2.56 1.68 0.25 2.72 -0.21 0.81 -0.62 119.66 121.72 1o1u s GLN 84 Ca 0.58 -1.97 0.02 0.00 0.02 0.00 0.00 55.36 54.01 1o1u s GLN 84 Cb -0.19 0.29 -0.05 0.00 1.00 0.00 0.00 33.01 34.05 1o1u s GLN 84 CO 0.25 -0.61 0.06 -1.64 -2.12 0.00 0.00 175.29 171.23 1o1u s MET 85 N -3.56 1.38 -0.41 2.91 -1.94 -1.26 -0.62 119.30 115.80 1o1u s MET 85 Ca 0.40 -1.73 0.08 0.00 -1.71 0.00 0.00 55.69 52.73 1o1u s MET 85 Cb 0.03 -0.39 0.27 0.00 2.01 0.00 0.00 34.83 36.75 1o1u s MET 85 CO 0.25 -0.22 0.67 0.39 -0.01 0.00 0.00 175.02 176.10 1o1u n GLU 86 N -0.45 0.79 0.00 2.03 1.02 0.13 -4.87 120.64 119.29 1o1u n GLU 86 Ca -0.02 -2.85 0.00 0.00 -0.02 0.00 0.00 57.16 54.27 1o1u n GLU 86 Cb 0.65 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1o1u n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o1u n GLY 87 N 1.21 1.72 2.19 0.62 0.00 -1.26 -2.60 105.19 107.08 1o1u n GLY 87 Ca 0.18 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 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 5.75 3.28 -0.02 0.00 -1.26 -5.04 105.19 107.90 1o1u n GLY 88 Ca 0.00 -2.49 -0.12 0.00 0.00 0.00 0.00 46.02 43.41 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 -3.60 0.84 0.13 1.61 2.36 -1.07 -3.85 119.74 116.16 1o1u s LYS 89 Ca 0.47 -0.44 0.08 0.00 -2.55 0.00 0.00 55.97 53.53 1o1u s LYS 89 Cb 0.40 0.37 -0.04 0.00 -1.05 0.00 0.00 37.83 37.51 1o1u s LYS 89 CO -0.00 -0.28 -0.18 -1.17 1.55 0.00 0.00 175.35 175.28 1o1u s LEU 90 N -2.00 2.38 0.01 5.43 2.96 -0.25 0.21 118.68 127.42 1o1u s LEU 90 Ca -0.06 -0.79 0.00 0.00 -0.22 0.00 0.00 54.13 53.07 1o1u s LEU 90 Cb -0.01 -0.75 -0.01 0.00 0.50 0.00 0.00 46.19 45.92 1o1u s LEU 90 CO -0.03 -0.04 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.25 1o1u s VAL 91 N -1.80 0.13 0.10 1.68 1.01 0.21 -2.19 120.40 119.52 1o1u s VAL 91 Ca 0.11 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 1o1u s VAL 91 Cb -0.07 -0.19 0.05 0.00 0.00 0.00 0.00 36.38 36.17 1o1u s VAL 91 CO 0.05 -0.23 0.47 0.54 0.00 0.00 0.00 175.10 175.93 1o1u s VAL 92 N -0.74 0.04 -0.15 2.92 0.11 -0.22 -0.14 120.40 122.23 1o1u s VAL 92 Ca -0.07 -0.36 -0.05 0.00 -2.93 0.00 0.00 61.98 58.56 1o1u s VAL 92 Cb -0.05 -1.06 0.07 0.00 -1.53 0.00 0.00 36.38 33.81 1o1u s VAL 92 CO -0.00 -0.20 0.31 0.54 -3.33 0.00 0.00 175.10 172.42 1o1u s ASN 93 N -2.46 0.16 0.22 3.54 2.20 -1.25 -2.17 114.94 115.17 1o1u s ASN 93 Ca -0.01 0.72 0.07 0.00 -0.94 0.00 0.00 52.86 52.70 1o1u s ASN 93 Cb 0.00 0.91 -0.04 0.00 -2.00 0.00 0.00 41.25 40.12 1o1u s ASN 93 CO -0.08 -0.24 0.13 -0.36 -2.94 0.00 0.00 177.10 173.61 1o1u s PHE 94 N 2.48 3.03 -1.02 1.54 0.40 -0.67 -3.38 117.98 120.37 1o1u s PHE 94 Ca 0.00 -0.10 -0.21 0.00 -0.60 0.00 0.00 56.93 56.02 1o1u s PHE 94 Cb -0.12 -1.40 -0.09 0.00 0.51 0.00 0.00 43.02 41.91 1o1u s PHE 94 CO -0.10 0.53 1.95 -0.35 0.70 0.00 0.00 175.22 177.96 1o1u n PRO 95 N -0.76 1.85 0.00 0.24 -0.04 -1.26 -3.15 135.00 131.88 1o1u n PRO 95 Ca -0.08 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1o1u n PRO 95 Cb 0.57 -3.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 1o1u n PRO 95 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1o1u n ASN 96 N 9.19 0.00 -2.99 3.54 2.85 -1.26 -5.09 115.26 121.51 1o1u n ASN 96 Ca 0.49 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.83 1o1u n ASN 96 Cb 0.42 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.43 1o1u n ASN 96 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1o1u s TYR 97 N 0.00 0.74 0.09 1.20 1.13 -1.19 -4.92 117.35 114.40 1o1u s TYR 97 Ca 0.00 -1.16 0.04 0.00 -1.41 0.00 0.00 57.07 54.55 1o1u s TYR 97 Cb 0.00 0.29 -0.03 0.00 -1.10 0.00 0.00 41.96 41.12 1o1u s TYR 97 CO 0.00 -1.36 -0.11 -1.58 -2.51 0.00 0.00 175.55 169.99 1o1u s HIS 98 N -2.57 1.12 -0.02 -3.49 2.46 0.79 -1.67 115.29 111.91 1o1u s HIS 98 Ca 0.25 -0.60 -0.30 0.00 0.47 0.00 0.00 55.06 54.88 1o1u s HIS 98 Cb -0.03 -0.61 0.07 0.00 -0.13 0.00 0.00 32.58 31.89 1o1u s HIS 98 CO 0.18 0.03 0.67 -1.14 -2.47 0.00 0.00 174.74 172.01 1o1u s GLN 99 N -2.52 1.08 -0.22 2.88 -0.44 -0.92 0.53 119.66 120.06 1o1u s GLN 99 Ca 0.04 0.15 -0.04 0.00 -2.50 0.00 0.00 55.36 53.02 1o1u s GLN 99 Cb -0.05 0.51 0.11 0.00 -1.64 0.00 0.00 33.01 31.94 1o1u s GLN 99 CO 0.01 -0.36 0.29 0.95 0.50 0.00 0.00 175.29 176.68 1o1u s THR 100 N -1.55 -0.44 0.51 -0.34 -4.23 -1.16 -1.05 115.64 107.38 1o1u s THR 100 Ca -0.09 -0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.32 1o1u s THR 100 Cb -0.00 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 73.12 1o1u s THR 100 CO 0.07 -0.15 0.77 -0.44 -0.54 0.00 0.00 174.62 174.33 1o1u s SER 101 N 2.42 5.70 -0.21 3.99 0.01 -0.93 -3.05 113.70 121.63 1o1u s SER 101 Ca 0.09 0.45 -0.13 0.00 1.31 0.00 0.00 55.95 57.67 1o1u s SER 101 Cb -0.15 -1.57 0.06 0.00 0.21 0.00 0.00 66.02 64.57 1o1u s SER 101 CO -0.13 -0.88 0.52 -0.70 0.41 0.00 0.00 173.24 172.46 1o1u s GLU 102 N -4.75 0.53 0.14 12.44 2.12 -0.67 -1.09 118.70 127.43 1o1u s GLU 102 Ca 0.51 0.93 -0.09 0.00 0.36 0.00 0.00 54.97 56.68 1o1u s GLU 102 Cb -0.10 0.08 -0.06 0.00 0.26 0.00 0.00 34.13 34.31 1o1u s GLU 102 CO 0.41 -0.14 0.45 0.42 -0.54 0.00 0.00 175.26 175.85 1o1u s ILE 103 N 1.30 5.05 -0.44 -3.70 -1.09 -1.25 -1.14 121.20 119.94 1o1u s ILE 103 Ca -0.08 0.37 0.06 0.00 -2.23 0.00 0.00 60.65 58.77 1o1u s ILE 103 Cb -0.07 -3.64 0.21 0.00 -1.58 0.00 0.00 42.46 37.38 1o1u s ILE 103 CO -0.13 0.12 0.45 0.52 -1.23 0.00 0.00 174.94 174.67 1o1u n VAL 104 N 0.39 -0.56 0.00 2.92 0.31 -0.17 -4.94 118.33 116.29 1o1u n VAL 104 Ca -0.04 -3.89 0.00 0.00 -0.01 0.00 0.00 64.34 60.40 1o1u n VAL 104 Cb 0.52 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 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 2.06 1.83 2.37 2.92 0.00 -1.26 -3.44 105.19 109.66 1o1u n GLY 105 Ca 0.26 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 46.24 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 4.67 1.70 -3.62 1.61 9.92 -1.26 -4.53 116.55 125.04 1o1u n ASP 106 Ca 0.00 -3.16 -0.09 0.00 -0.53 0.00 0.00 54.79 51.01 1o1u n ASP 106 Cb 0.00 -0.61 -0.07 0.00 -0.64 0.00 0.00 41.12 39.81 1o1u n ASP 106 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1o1u s LYS 107 N -2.62 0.50 -0.07 -1.24 2.20 -1.22 -3.52 119.74 113.77 1o1u s LYS 107 Ca 0.42 0.45 0.03 0.00 -0.36 0.00 0.00 55.97 56.51 1o1u s LYS 107 Cb 0.32 0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.86 1o1u s LYS 107 CO -0.09 -0.09 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.49 1o1u s LEU 108 N -0.13 2.70 0.25 5.43 2.96 0.32 -1.00 118.68 129.22 1o1u s LEU 108 Ca 0.02 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 1o1u s LEU 108 Cb -0.04 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 1o1u s LEU 108 CO -0.05 0.30 0.07 0.68 -1.32 0.00 0.00 176.35 176.03 1o1u s VAL 109 N -0.47 0.69 0.00 1.68 -7.23 -0.29 0.24 120.40 115.03 1o1u s VAL 109 Ca 0.06 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.03 1o1u s VAL 109 Cb -0.12 -2.56 0.04 0.00 0.56 0.00 0.00 36.38 34.30 1o1u s VAL 109 CO 0.02 -0.09 0.44 -0.70 -0.31 0.00 0.00 175.10 174.45 1o1u s GLU 110 N -3.99 0.86 -0.25 4.82 -6.30 -0.43 -1.66 118.70 111.75 1o1u s GLU 110 Ca 0.35 -0.16 -0.03 0.00 -2.50 0.00 0.00 54.97 52.63 1o1u s GLU 110 Cb 0.07 0.39 0.10 0.00 0.00 0.00 0.00 34.13 34.70 1o1u s GLU 110 CO 0.12 -0.27 0.20 0.54 0.02 0.00 0.00 175.26 175.86 1o1u s VAL 111 N -1.78 -0.24 0.99 3.70 0.11 -1.17 -0.57 120.40 121.44 1o1u s VAL 111 Ca -0.10 -0.44 -0.17 0.00 -2.93 0.00 0.00 61.98 58.35 1o1u s VAL 111 Cb -0.02 -0.85 0.23 0.00 -1.53 0.00 0.00 36.38 34.21 1o1u s VAL 111 CO 0.03 -0.46 1.24 -1.54 -3.33 0.00 0.00 175.10 171.04 1o1u n SER 112 N 5.29 -0.31 -3.55 3.54 3.41 -1.05 -2.98 113.62 117.97 1o1u n SER 112 Ca -0.05 -1.40 -0.09 0.00 -0.26 0.00 0.00 58.87 57.07 1o1u n SER 112 Cb 0.46 -0.98 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 1o1u n SER 112 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1o1u s THR 113 N -3.63 0.00 0.09 6.66 2.01 0.19 -3.27 115.64 117.70 1o1u s THR 113 Ca 0.72 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.72 1o1u s THR 113 Cb -0.03 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1o1u s THR 113 CO 0.51 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.44 1o1u n ILE 114 N 0.22 0.00 0.00 1.82 3.06 -1.18 -0.15 119.36 123.13 1o1u n ILE 114 Ca -0.08 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 1o1u n ILE 114 Cb 0.60 -0.11 0.00 0.00 0.54 0.00 0.00 39.64 40.66 1o1u n ILE 114 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1o1u n GLY 115 N -0.81 -0.20 1.56 4.50 0.00 -1.26 -4.90 105.19 104.09 1o1u n GLY 115 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 1.03 3.96 3.12 -0.02 0.00 -1.26 -5.07 105.19 106.95 1o1u n GLY 116 Ca 0.00 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.96 0.10 0.24 1.61 1.01 -1.26 -5.14 120.40 114.00 1o1u s VAL 117 Ca 0.39 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1o1u s VAL 117 Cb 0.38 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1o1u s VAL 117 CO -0.06 -0.45 0.13 -0.89 0.00 0.00 0.00 175.10 173.83 1o1u s THR 118 N -1.86 0.24 -0.40 3.92 2.01 -1.26 -3.10 115.64 115.19 1o1u s THR 118 Ca -0.11 -2.00 0.02 0.00 0.31 0.00 0.00 61.69 59.91 1o1u s THR 118 Cb -0.05 -2.55 0.15 0.00 0.01 0.00 0.00 72.50 70.06 1o1u s THR 118 CO -0.01 0.00 0.27 -0.47 -0.69 0.00 0.00 174.62 173.72 1o1u s TYR 119 N -3.90 1.23 0.56 4.92 5.04 -1.20 -4.38 117.35 119.61 1o1u s TYR 119 Ca 0.38 -2.08 -0.19 0.00 -2.44 0.00 0.00 57.07 52.75 1o1u s TYR 119 Cb 0.07 -1.21 -0.05 0.00 0.35 0.00 0.00 41.96 41.12 1o1u s TYR 119 CO 0.14 -0.80 1.10 -1.21 -1.34 0.00 0.00 175.55 173.44 1o1u s GLU 120 N 0.50 3.34 -0.05 4.97 2.02 -0.84 -2.53 118.70 126.12 1o1u s GLU 120 Ca 0.23 1.50 -0.29 0.00 0.02 0.00 0.00 54.97 56.42 1o1u s GLU 120 Cb -0.15 -2.01 0.09 0.00 0.10 0.00 0.00 34.13 32.16 1o1u s GLU 120 CO -0.06 -0.83 0.78 0.50 0.02 0.00 0.00 175.26 175.67 1o1u s ARG 121 N -3.47 0.93 -0.32 1.61 3.00 0.26 -1.84 118.95 119.13 1o1u s ARG 121 Ca 0.70 0.06 -0.01 0.00 -1.00 0.00 0.00 55.73 55.48 1o1u s ARG 121 Cb -0.21 0.44 0.11 0.00 0.00 0.00 0.00 34.95 35.28 1o1u s ARG 121 CO 0.29 -0.32 0.13 0.14 0.00 0.00 0.00 175.30 175.53 1o1u s VAL 122 N -1.75 0.59 -0.68 7.11 -7.23 -1.21 -1.31 120.40 115.93 1o1u s VAL 122 Ca -0.05 -1.33 -0.23 0.00 -1.81 0.00 0.00 61.98 58.57 1o1u s VAL 122 Cb -0.00 -1.46 0.07 0.00 0.56 0.00 0.00 36.38 35.55 1o1u s VAL 122 CO 0.02 -0.73 1.01 -0.44 -0.31 0.00 0.00 175.10 174.65 1o1u s SER 123 N 1.62 6.19 1.24 4.85 0.01 0.14 -2.51 113.70 125.23 1o1u s SER 123 Ca 0.11 -0.96 -0.15 0.00 1.31 0.00 0.00 55.95 56.25 1o1u s SER 123 Cb -0.18 -2.43 0.30 0.00 0.21 0.00 0.00 66.02 63.92 1o1u s SER 123 CO -0.25 -1.48 0.92 0.29 0.41 0.00 0.00 173.24 173.13 1o1u n LYS 124 N 7.87 -2.91 -3.56 12.44 4.01 -0.98 -0.52 118.16 134.51 1o1u n LYS 124 Ca -0.02 -0.83 -0.41 0.00 -0.51 0.00 0.00 58.31 56.54 1o1u n LYS 124 Cb 0.46 -2.09 -0.08 0.00 -0.51 0.00 0.00 35.03 32.82 1o1u n LYS 124 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1o1u s ARG 125 N -4.39 2.69 0.00 1.97 3.00 -1.23 -1.65 118.95 119.34 1o1u s ARG 125 Ca 0.68 -2.10 0.00 0.00 -1.00 0.00 0.00 55.73 53.31 1o1u s ARG 125 Cb -0.23 -3.96 0.00 0.00 0.00 0.00 0.00 34.95 30.76 1o1u s ARG 125 CO 0.65 -1.20 0.00 1.47 0.00 0.00 0.00 175.30 176.21 1o1u n LEU 126 N 4.35 0.00 0.00 -0.88 -0.00 -1.19 -4.91 117.00 114.37 1o1u n LEU 126 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1o1u n LEU 126 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1o1u n LEU 126 CO 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.77