#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 -2.85 -3.65 0.00 3.72 -1.26 -4.45 117.46 108.97 1o1u n PHE 2 Ca 0.00 1.16 -0.04 0.00 -0.05 0.00 0.00 57.45 58.52 1o1u n PHE 2 Cb 0.00 -2.93 -0.06 0.00 -0.94 0.00 0.00 39.48 35.55 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 -2.27 -0.71 -4.72 4.37 2.01 -1.26 -2.83 115.64 110.22 1o1u s THR 3 Ca 0.23 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1o1u s THR 3 Cb -0.04 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.55 1o1u s THR 3 CO 0.83 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.39 1o1u n GLY 4 N 5.18 -1.99 3.55 4.40 0.00 -0.39 -4.95 105.19 110.98 1o1u n GLY 4 Ca -0.13 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.93 2.49 0.21 1.61 2.20 -1.26 -1.09 119.74 121.97 1o1u s LYS 5 Ca 0.00 -0.73 -0.09 0.00 -0.36 0.00 0.00 55.97 54.79 1o1u s LYS 5 Cb 0.00 -2.44 -0.01 0.00 -1.51 0.00 0.00 37.83 33.87 1o1u s LYS 5 CO 0.00 0.61 0.34 -0.06 -0.36 0.00 0.00 175.35 175.88 1o1u s PHE 6 N -0.90 0.55 0.03 4.03 0.40 0.28 -3.08 117.98 119.29 1o1u s PHE 6 Ca 0.15 -0.88 -0.18 0.00 -0.60 0.00 0.00 56.93 55.41 1o1u s PHE 6 Cb -0.11 -0.05 0.04 0.00 0.51 0.00 0.00 43.02 43.41 1o1u s PHE 6 CO 0.05 -0.84 0.41 -1.83 0.70 0.00 0.00 175.22 173.71 1o1u s GLU 7 N -4.04 0.88 0.35 0.44 -1.05 -0.64 -0.38 118.70 114.25 1o1u s GLU 7 Ca 0.25 -0.29 -0.27 0.00 -0.15 0.00 0.00 54.97 54.51 1o1u s GLU 7 Cb 0.02 0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 34.01 1o1u s GLU 7 CO 0.07 -0.29 1.19 1.41 0.95 0.00 0.00 175.26 178.59 1o1u s MET 8 N -2.15 4.30 0.02 -4.83 -2.45 -0.20 -1.74 119.30 112.25 1o1u s MET 8 Ca -0.07 1.94 -0.04 0.00 -1.25 0.00 0.00 55.69 56.27 1o1u s MET 8 Cb -0.02 -2.93 -0.02 0.00 1.25 0.00 0.00 34.83 33.12 1o1u s MET 8 CO -0.00 -0.13 -0.07 0.39 1.05 0.00 0.00 175.02 176.25 1o1u n GLU 9 N 0.59 0.11 -4.11 4.11 -0.58 -1.25 -4.67 120.64 114.84 1o1u n GLU 9 Ca 0.02 0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.67 1o1u n GLU 9 Cb 0.45 -0.70 -0.06 0.00 -0.57 0.00 0.00 31.44 30.56 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 -5.87 0.56 0.27 1.62 1.04 -1.26 -5.05 113.70 105.01 1o1u s SER 10 Ca -0.07 -1.35 0.03 0.00 0.48 0.00 0.00 55.95 55.04 1o1u s SER 10 Cb 0.01 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1o1u s SER 10 CO 0.09 -1.12 0.19 -1.61 0.98 0.00 0.00 173.24 171.77 1o1u s GLU 11 N -3.61 1.50 0.07 4.02 2.02 -1.26 -3.54 118.70 117.89 1o1u s GLU 11 Ca 0.32 -1.84 -0.01 0.00 0.02 0.00 0.00 54.97 53.45 1o1u s GLU 11 Cb 0.02 0.19 -0.00 0.00 0.10 0.00 0.00 34.13 34.43 1o1u s GLU 11 CO 0.16 -0.50 -0.03 1.17 0.02 0.00 0.00 175.26 176.09 1o1u n LYS 12 N -0.48 0.04 -1.57 1.61 3.00 -0.96 -4.90 118.16 114.90 1o1u n LYS 12 Ca 0.04 0.02 -0.05 0.00 -0.00 0.00 0.00 58.31 58.31 1o1u n LYS 12 Cb 0.64 -0.52 0.09 0.00 0.00 0.00 0.00 35.03 35.25 1o1u n LYS 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1o1u n ASN 13 N -3.46 2.61 0.08 3.14 2.85 -1.26 -4.90 115.26 114.32 1o1u n ASN 13 Ca -0.01 -3.23 -0.12 0.00 -0.11 0.00 0.00 54.58 51.11 1o1u n ASN 13 Cb 0.04 -0.42 -0.05 0.00 1.24 0.00 0.00 39.78 40.58 1o1u n ASN 13 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1o1u h TYR 14 N 1.64 -0.43 0.26 1.20 3.20 -1.88 -1.76 116.97 119.19 1o1u h TYR 14 Ca 0.06 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1o1u h TYR 14 Cb 1.37 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.80 1o1u h TYR 14 CO 0.65 -0.25 -0.35 -0.44 -1.64 0.00 0.00 178.16 176.13 1o1u h ASP 15 N -0.31 -0.97 0.18 -2.11 5.19 -1.96 -1.49 116.42 114.94 1o1u h ASP 15 Ca 0.03 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 1o1u h ASP 15 Cb 0.34 0.34 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1o1u h ASP 15 CO -0.11 -0.47 -0.08 -0.33 -3.12 0.00 0.00 179.24 175.13 1o1u h GLU 16 N -0.67 -0.23 -1.00 3.56 5.08 -1.96 0.18 114.58 119.55 1o1u h GLU 16 Ca -0.00 0.02 0.34 0.00 -1.00 0.00 0.00 59.36 58.72 1o1u h GLU 16 Cb 0.64 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 29.78 1o1u h GLU 16 CO -0.12 -0.10 0.55 0.35 -1.00 0.00 0.00 179.01 178.69 1o1u h PHE 17 N -0.29 0.89 0.05 4.33 3.57 -1.18 0.13 116.94 124.45 1o1u h PHE 17 Ca -0.02 0.04 -0.25 0.00 3.53 0.00 0.00 57.97 61.26 1o1u h PHE 17 Cb 0.23 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1o1u h PHE 17 CO -0.05 -0.25 -1.24 0.52 -2.23 0.00 0.00 178.31 175.06 1o1u h MET 18 N 0.24 0.11 -0.77 1.11 2.86 -0.16 0.15 114.93 118.48 1o1u h MET 18 Ca 0.76 -0.19 0.15 0.00 -2.06 0.00 0.00 59.70 58.36 1o1u h MET 18 Cb 1.80 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 33.48 1o1u h MET 18 CO -0.65 1.02 0.51 1.57 1.06 0.00 0.00 176.91 180.42 1o1u h LYS 19 N 0.03 0.40 -0.02 1.72 2.10 0.21 -2.42 116.57 118.60 1o1u h LYS 19 Ca -0.12 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 1o1u h LYS 19 Cb 1.89 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.13 1o1u h LYS 19 CO 0.15 0.27 0.00 1.47 -2.00 0.00 0.00 179.45 179.33 1o1u n LEU 20 N -4.48 1.48 -0.03 7.07 -0.00 -1.04 -4.39 117.00 115.61 1o1u n LEU 20 Ca 0.15 -1.08 -0.13 0.00 -0.00 0.00 0.00 56.01 54.94 1o1u n LEU 20 Cb 0.55 -0.01 -0.09 0.00 -0.00 0.00 0.00 43.42 43.87 1o1u n LEU 20 CO 0.33 0.33 0.58 0.25 -0.00 0.00 0.00 177.39 178.88 1o1u h LEU 21 N 0.94 0.18 0.00 1.47 5.85 -0.40 -3.49 115.31 119.87 1o1u h LEU 21 Ca 0.00 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1o1u h LEU 21 Cb 0.23 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1o1u h LEU 21 CO 0.00 0.68 0.00 0.61 -0.34 0.00 0.00 178.44 179.39 1o1u n GLY 22 N 0.35 -0.01 3.27 3.75 0.00 -0.94 -5.07 105.19 106.55 1o1u n GLY 22 Ca -0.08 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 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 1.43 0.40 -0.61 -1.09 -1.13 -5.09 121.20 115.12 1o1u s ILE 23 Ca 0.00 -1.87 -0.20 0.00 -2.23 0.00 0.00 60.65 56.35 1o1u s ILE 23 Cb 0.00 -1.69 -0.11 0.00 -1.58 0.00 0.00 42.46 39.08 1o1u s ILE 23 CO 0.00 -0.48 0.91 -0.55 -1.23 0.00 0.00 174.94 173.59 1o1u s SER 24 N -2.72 6.94 -0.92 3.58 0.15 -1.26 -4.80 113.70 114.66 1o1u s SER 24 Ca 0.13 1.62 -0.20 0.00 0.70 0.00 0.00 55.95 58.21 1o1u s SER 24 Cb -0.03 -2.51 -0.11 0.00 -1.71 0.00 0.00 66.02 61.65 1o1u s SER 24 CO 0.04 -0.31 2.00 -1.54 1.20 0.00 0.00 173.24 174.63 1o1u n SER 25 N -0.51 2.93 0.05 5.45 3.41 -1.26 -2.81 113.62 120.89 1o1u n SER 25 Ca 0.06 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 1o1u n SER 25 Cb 0.54 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1o1u n SER 25 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1o1u n ASP 26 N 7.04 -0.96 -0.31 4.04 5.75 -1.26 -4.86 116.55 125.99 1o1u n ASP 26 Ca 0.50 0.40 0.03 0.00 -0.01 0.00 0.00 54.79 55.71 1o1u n ASP 26 Cb 0.39 1.15 0.17 0.00 -1.03 0.00 0.00 41.12 41.81 1o1u n ASP 26 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1o1u h VAL 27 N 0.00 0.94 -0.08 2.12 2.07 -1.95 -1.37 116.25 117.97 1o1u h VAL 27 Ca 0.00 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1o1u h VAL 27 Cb 0.00 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1o1u h VAL 27 CO 0.00 0.16 -0.29 0.40 0.02 0.00 0.00 177.57 177.86 1o1u h ILE 28 N 0.85 0.00 -0.91 4.57 2.04 -1.86 -0.95 117.51 121.26 1o1u h ILE 28 Ca 0.41 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.51 1o1u h ILE 28 Cb 0.34 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.38 1o1u h ILE 28 CO -0.24 0.00 0.63 -0.33 0.00 0.00 0.00 178.15 178.22 1o1u h GLU 29 N -0.30 0.13 0.00 2.37 4.39 -1.58 -3.00 114.58 116.59 1o1u h GLU 29 Ca 0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1o1u h GLU 29 Cb 0.36 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1o1u h GLU 29 CO -0.24 0.09 0.00 1.63 -1.16 0.00 0.00 179.01 179.33 1o1u n LYS 30 N -4.36 0.00 -0.01 2.33 5.02 -0.38 -3.32 118.16 117.44 1o1u n LYS 30 Ca 0.19 0.50 0.23 0.00 -2.02 0.00 0.00 58.31 57.21 1o1u n LYS 30 Cb 0.89 -1.32 0.71 0.00 -0.02 0.00 0.00 35.03 35.28 1o1u n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1o1u h ALA 31 N -2.00 2.38 0.69 7.82 0.00 -1.35 0.68 119.26 127.47 1o1u h ALA 31 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1o1u h ALA 31 Cb 0.00 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1o1u h ALA 31 CO 0.00 -0.89 -0.33 -0.09 0.00 0.00 0.00 179.25 177.94 1o1u h ARG 32 N 0.00 -0.89 0.14 0.00 2.43 -1.59 -3.33 114.38 111.14 1o1u h ARG 32 Ca 0.28 0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 1o1u h ARG 32 Cb 1.45 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 1o1u h ARG 32 CO -0.00 -0.59 -0.07 -0.97 -1.51 0.00 0.00 179.97 176.83 1o1u h ASN 33 N -0.95 -0.16 -1.97 -3.80 -0.73 -0.95 -3.43 115.58 103.60 1o1u h ASN 33 Ca -0.09 -0.39 -0.60 0.00 1.87 0.00 0.00 56.30 57.09 1o1u h ASN 33 Cb 0.71 0.04 0.01 0.00 0.27 0.00 0.00 38.32 39.35 1o1u h ASN 33 CO 0.16 0.39 1.29 0.33 -0.37 0.00 0.00 177.43 179.22 1o1u n PHE 34 N -4.92 2.18 -2.31 0.67 7.35 0.21 -4.87 117.46 115.77 1o1u n PHE 34 Ca -0.08 -0.10 -0.40 0.00 -0.76 0.00 0.00 57.45 56.11 1o1u n PHE 34 Cb 0.27 -2.70 -0.03 0.00 0.35 0.00 0.00 39.48 37.37 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 5.11 2.99 0.44 -4.13 1.02 -1.26 -4.39 119.74 119.51 1o1u s LYS 35 Ca 0.96 0.25 -0.23 0.00 0.02 0.00 0.00 55.97 56.97 1o1u s LYS 35 Cb -0.55 -4.25 -0.08 0.00 -0.52 0.00 0.00 37.83 32.43 1o1u s LYS 35 CO 0.44 -2.34 1.14 0.42 -0.92 0.00 0.00 175.35 174.09 1o1u s ILE 36 N 7.15 3.23 0.20 2.17 1.01 -1.26 -4.72 121.20 128.99 1o1u s ILE 36 Ca 0.52 0.94 0.01 0.00 0.00 0.00 0.00 60.65 62.12 1o1u s ILE 36 Cb -0.11 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1o1u s ILE 36 CO 0.19 0.00 0.37 -0.69 0.00 0.00 0.00 174.94 174.81 1o1u s VAL 37 N -1.55 5.24 -0.05 2.92 1.01 0.10 -1.04 120.40 127.03 1o1u s VAL 37 Ca 0.62 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1o1u s VAL 37 Cb -0.28 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.37 1o1u s VAL 37 CO 0.34 -0.21 0.10 -0.89 0.00 0.00 0.00 175.10 174.44 1o1u s THR 38 N -1.89 -0.12 0.19 3.92 2.01 0.49 0.41 115.64 120.65 1o1u s THR 38 Ca 0.37 0.29 0.10 0.00 0.31 0.00 0.00 61.69 62.76 1o1u s THR 38 Cb -0.11 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 1o1u s THR 38 CO 0.29 0.12 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.57 1o1u s GLU 39 N 1.65 1.79 -0.00 4.92 2.02 -0.58 0.99 118.70 129.48 1o1u s GLU 39 Ca -0.03 -1.41 -0.02 0.00 0.02 0.00 0.00 54.97 53.53 1o1u s GLU 39 Cb -0.12 -1.99 -0.00 0.00 0.10 0.00 0.00 34.13 32.11 1o1u s GLU 39 CO -0.04 0.41 0.04 0.08 0.02 0.00 0.00 175.26 175.77 1o1u s VAL 40 N -1.71 0.05 -0.27 2.63 1.01 -0.25 -1.01 120.40 120.85 1o1u s VAL 40 Ca 0.23 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1o1u s VAL 40 Cb -0.08 -0.20 0.12 0.00 0.00 0.00 0.00 36.38 36.22 1o1u s VAL 40 CO 0.13 -0.22 0.26 -1.10 0.00 0.00 0.00 175.10 174.17 1o1u s GLN 41 N -0.67 0.28 1.05 2.72 -0.21 -1.12 -1.26 119.66 120.44 1o1u s GLN 41 Ca -0.07 -0.09 -0.12 0.00 0.02 0.00 0.00 55.36 55.10 1o1u s GLN 41 Cb -0.05 -0.84 0.22 0.00 1.00 0.00 0.00 33.01 33.35 1o1u s GLN 41 CO -0.00 -0.93 1.07 1.14 -2.12 0.00 0.00 175.29 174.45 1o1u s GLN 42 N 2.33 0.01 -0.41 2.91 0.00 -1.13 -2.32 119.66 121.05 1o1u s GLN 42 Ca 0.09 0.98 0.09 0.00 -0.00 0.00 0.00 55.36 56.52 1o1u s GLN 42 Cb -0.15 -1.65 0.34 0.00 0.00 0.00 0.00 33.01 31.55 1o1u s GLN 42 CO -0.28 -3.14 0.94 -3.47 0.00 0.00 0.00 175.29 169.34 1o1u n ASP 43 N -4.52 -0.73 0.00 12.60 2.03 0.58 -4.75 116.55 121.76 1o1u n ASP 43 Ca 0.06 -3.31 0.00 0.00 0.52 0.00 0.00 54.79 52.06 1o1u n ASP 43 Cb 0.54 0.63 0.00 0.00 -0.72 0.00 0.00 41.12 41.58 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 0.28 0.20 0.43 0.27 0.00 -1.26 -2.48 105.19 102.63 1o1u n GLY 44 Ca 0.15 -0.90 0.25 0.00 0.00 0.00 0.00 46.02 45.51 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 0.28 -7.00 1.61 4.15 -1.98 -3.39 115.11 108.79 1o1u h GLN 45 Ca 0.00 -0.02 -0.47 0.00 0.77 0.00 0.00 58.65 58.94 1o1u h GLN 45 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1o1u h GLN 45 CO 0.00 0.19 0.38 0.34 -1.93 0.00 0.00 178.83 177.81 1o1u s ASP 46 N -5.34 6.79 0.38 -0.69 2.15 -1.03 -1.90 116.67 117.03 1o1u s ASP 46 Ca -0.08 1.90 0.08 0.00 0.43 0.00 0.00 52.55 54.88 1o1u s ASP 46 Cb 0.24 -2.57 -0.07 0.00 -0.30 0.00 0.00 42.92 40.22 1o1u s ASP 46 CO 0.79 -0.46 -0.04 -0.36 -0.17 0.00 0.00 175.17 174.93 1o1u s PHE 47 N -1.85 2.46 -0.44 -5.34 0.40 -0.26 -0.30 117.98 112.65 1o1u s PHE 47 Ca 0.60 -0.59 0.06 0.00 -0.60 0.00 0.00 56.93 56.40 1o1u s PHE 47 Cb -0.17 -1.59 0.21 0.00 0.51 0.00 0.00 43.02 41.98 1o1u s PHE 47 CO 0.22 0.51 0.45 0.25 0.70 0.00 0.00 175.22 177.35 1o1u n THR 48 N -0.89 -0.60 -2.05 0.64 -2.24 -0.98 -3.70 114.28 104.46 1o1u n THR 48 Ca -0.05 -3.86 -0.29 0.00 -2.27 0.00 0.00 64.05 57.57 1o1u n THR 48 Cb 0.65 -1.84 0.03 0.00 -2.10 0.00 0.00 70.33 67.07 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 -0.68 3.43 -0.04 4.78 -0.11 -1.21 -2.81 118.94 122.30 1o1u s TRP 49 Ca 0.34 1.03 -0.23 0.00 1.22 0.00 0.00 56.10 58.45 1o1u s TRP 49 Cb 0.09 -2.82 0.05 0.00 -1.50 0.00 0.00 33.47 29.29 1o1u s TRP 49 CO -0.15 -0.87 0.51 -1.12 -4.62 0.00 0.00 176.95 170.70 1o1u s SER 50 N -4.27 -0.45 -0.41 5.86 0.01 -0.18 -3.30 113.70 110.96 1o1u s SER 50 Ca 0.55 0.47 0.03 0.00 1.31 0.00 0.00 55.95 58.31 1o1u s SER 50 Cb -0.11 0.47 0.11 0.00 0.21 0.00 0.00 66.02 66.71 1o1u s SER 50 CO 0.51 -0.52 0.15 -1.10 0.41 0.00 0.00 173.24 172.69 1o1u s GLN 51 N -1.17 1.58 0.07 12.44 -0.21 0.11 -1.53 119.66 130.95 1o1u s GLN 51 Ca -0.11 -2.09 -0.27 0.00 0.02 0.00 0.00 55.36 52.90 1o1u s GLN 51 Cb -0.02 -3.06 -0.06 0.00 1.00 0.00 0.00 33.01 30.87 1o1u s GLN 51 CO 0.07 -1.03 0.86 -1.01 -2.12 0.00 0.00 175.29 172.06 1o1u s HIS 52 N 0.48 3.77 0.00 0.91 3.76 0.17 -1.86 115.29 122.51 1o1u s HIS 52 Ca 0.14 1.62 0.00 0.00 -0.15 0.00 0.00 55.06 56.67 1o1u s HIS 52 Cb -0.22 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.54 1o1u s HIS 52 CO -0.06 0.23 0.00 0.66 -0.85 0.00 0.00 174.74 174.73 1o1u n TYR 53 N 2.83 0.00 -2.74 1.40 4.02 -1.08 0.02 117.16 121.61 1o1u n TYR 53 Ca -0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 1o1u n TYR 53 Cb 0.50 -0.39 0.09 0.00 -0.02 0.00 0.00 39.34 39.52 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 -1.86 -1.99 -3.00 7.72 2.88 -1.26 -4.15 113.62 111.96 1o1u n SER 54 Ca 0.00 -3.28 -0.13 0.00 -1.33 0.00 0.00 58.87 54.13 1o1u n SER 54 Cb 0.00 1.49 0.07 0.00 -0.75 0.00 0.00 64.21 65.02 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 0.06 -0.62 0.04 0.46 0.00 -1.26 -4.86 105.19 99.00 1o1u n GLY 55 Ca 0.04 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1o1u n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 56 N -1.21 -2.29 3.07 -0.02 0.00 -1.26 -4.98 105.19 98.50 1o1u n GLY 56 Ca -0.13 0.74 -0.43 0.00 0.00 0.00 0.00 46.02 46.20 1o1u n GLY 56 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1o1u n HIS 57 N -0.73 3.95 -2.54 1.61 -0.00 -1.26 -4.89 115.22 111.36 1o1u n HIS 57 Ca 0.00 -2.94 -0.41 0.00 -0.00 0.00 0.00 57.72 54.37 1o1u n HIS 57 Cb 0.00 -2.51 -0.03 0.00 -0.00 0.00 0.00 29.99 27.45 1o1u n HIS 57 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1o1u s THR 58 N 3.18 3.75 0.54 3.57 2.01 -1.26 -2.65 115.64 124.78 1o1u s THR 58 Ca 0.48 0.17 -0.18 0.00 0.31 0.00 0.00 61.69 62.48 1o1u s THR 58 Cb 0.09 -4.92 -0.06 0.00 0.01 0.00 0.00 72.50 67.62 1o1u s THR 58 CO -0.02 -1.85 1.04 -0.32 -0.69 0.00 0.00 174.62 172.78 1o1u s MET 59 N 5.62 3.58 0.03 4.92 0.00 -0.78 -4.91 119.30 127.78 1o1u s MET 59 Ca 0.38 1.23 -0.11 0.00 0.00 0.00 0.00 55.69 57.19 1o1u s MET 59 Cb -0.06 -2.07 0.01 0.00 0.00 0.00 0.00 34.83 32.70 1o1u s MET 59 CO 0.10 -0.59 0.22 0.99 0.00 0.00 0.00 175.02 175.74 1o1u s THR 60 N -2.30 0.10 -0.51 10.11 2.01 -1.26 -0.71 115.64 123.07 1o1u s THR 60 Ca 0.64 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.91 1o1u s THR 60 Cb -0.15 -0.84 0.21 0.00 0.01 0.00 0.00 72.50 71.72 1o1u s THR 60 CO 0.30 -0.44 0.50 0.59 -0.69 0.00 0.00 174.62 174.88 1o1u n ASN 61 N 0.80 1.26 -4.78 3.53 4.13 -1.21 -4.45 115.26 114.54 1o1u n ASN 61 Ca -0.19 -2.84 -0.37 0.00 1.68 0.00 0.00 54.58 52.85 1o1u n ASN 61 Cb 0.58 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 38.12 1o1u n ASN 61 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1o1u s LYS 62 N -1.09 4.47 0.15 3.52 2.20 -1.26 -3.30 119.74 124.43 1o1u s LYS 62 Ca 0.33 1.40 -0.25 0.00 -0.36 0.00 0.00 55.97 57.09 1o1u s LYS 62 Cb 0.08 -2.74 0.07 0.00 -1.51 0.00 0.00 37.83 33.73 1o1u s LYS 62 CO -0.13 0.16 0.99 -0.59 -0.36 0.00 0.00 175.35 175.41 1o1u s PHE 63 N -1.61 -0.09 -0.04 4.03 -0.12 -1.24 -4.81 117.98 114.10 1o1u s PHE 63 Ca 0.52 -0.23 0.03 0.00 -0.05 0.00 0.00 56.93 57.20 1o1u s PHE 63 Cb -0.20 0.65 0.01 0.00 -0.63 0.00 0.00 43.02 42.84 1o1u s PHE 63 CO 0.26 -0.82 -0.11 0.99 -0.05 0.00 0.00 175.22 175.48 1o1u s THR 64 N -3.05 1.01 0.27 -4.49 2.01 -1.26 -1.11 115.64 109.03 1o1u s THR 64 Ca 0.14 -0.46 -0.08 0.00 0.31 0.00 0.00 61.69 61.60 1o1u s THR 64 Cb -0.01 -0.90 -0.07 0.00 0.01 0.00 0.00 72.50 71.54 1o1u s THR 64 CO 0.03 0.31 0.58 0.68 -0.69 0.00 0.00 174.62 175.53 1o1u s VAL 65 N 0.31 4.94 -2.07 3.82 -7.23 -0.80 -3.06 120.40 116.30 1o1u s VAL 65 Ca -0.06 0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 1o1u s VAL 65 Cb -0.11 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1o1u s VAL 65 CO 0.02 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 1o1u n GLY 66 N -0.54 1.11 1.73 2.32 0.00 0.93 -4.78 105.19 105.96 1o1u n GLY 66 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.61 0.00 0.00 1.61 4.81 -1.22 -5.09 118.16 115.65 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 0.69 -0.08 0.00 0.00 0.02 0.00 0.00 35.03 35.66 1o1u n LYS 67 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1o1u n GLU 68 N -2.40 0.00 -3.42 1.64 2.13 -1.17 -5.02 120.64 112.39 1o1u n GLU 68 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1o1u n GLU 68 Cb 0.02 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.71 1o1u n GLU 68 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1o1u s SER 69 N 0.00 -0.57 0.43 4.31 0.01 -1.16 -4.81 113.70 111.91 1o1u s SER 69 Ca 0.00 0.01 -0.24 0.00 1.31 0.00 0.00 55.95 57.03 1o1u s SER 69 Cb 0.00 0.59 -0.08 0.00 0.21 0.00 0.00 66.02 66.74 1o1u s SER 69 CO 0.00 -0.96 1.14 0.20 0.41 0.00 0.00 173.24 174.04 1o1u s ASN 70 N -2.72 6.41 -0.01 2.44 -0.87 -1.26 -3.06 114.94 115.87 1o1u s ASN 70 Ca 0.01 2.27 0.02 0.00 -1.57 0.00 0.00 52.86 53.59 1o1u s ASN 70 Cb -0.01 -2.60 -0.00 0.00 -0.02 0.00 0.00 41.25 38.61 1o1u s ASN 70 CO -0.13 -0.75 -0.07 -0.63 -2.57 0.00 0.00 177.10 172.96 1o1u s ILE 71 N -1.52 0.52 0.11 0.60 1.01 -0.70 -4.89 121.20 116.33 1o1u s ILE 71 Ca 0.60 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.94 1o1u s ILE 71 Cb -0.28 -0.45 -0.23 0.00 0.01 0.00 0.00 42.46 41.52 1o1u s ILE 71 CO 0.35 0.15 1.24 0.06 0.00 0.00 0.00 174.94 176.73 1o1u h GLN 72 N 6.03 0.31 0.00 2.79 3.07 -1.82 -2.70 115.11 122.78 1o1u h GLN 72 Ca -0.29 -0.42 0.00 0.00 0.09 0.00 0.00 58.65 58.03 1o1u h GLN 72 Cb 1.19 0.14 0.00 0.00 0.08 0.00 0.00 27.48 28.88 1o1u h GLN 72 CO 0.50 1.14 0.00 0.25 0.09 0.00 0.00 178.83 180.81 1o1u n THR 73 N -3.63 0.00 -2.32 1.86 -2.24 -1.26 -2.79 114.28 103.90 1o1u n THR 73 Ca -0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 1o1u n THR 73 Cb 0.92 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 1o1u n THR 73 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1o1u s MET 74 N 0.00 4.39 1.39 -0.78 -2.45 -1.26 -4.55 119.30 116.04 1o1u s MET 74 Ca 0.00 1.89 0.00 0.00 -1.25 0.00 0.00 55.69 56.33 1o1u s MET 74 Cb 0.00 -3.31 0.00 0.00 1.25 0.00 0.00 34.83 32.77 1o1u s MET 74 CO 0.00 -0.33 0.00 0.41 1.05 0.00 0.00 175.02 176.15 1o1u n GLY 75 N 3.31 0.42 2.77 2.11 0.00 -1.26 -0.74 105.19 111.79 1o1u n GLY 75 Ca 0.10 0.56 -0.02 0.00 0.00 0.00 0.00 46.02 46.66 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 0.00 1.80 2.91 -0.02 0.00 -1.26 -4.93 105.19 103.69 1o1u n GLY 76 Ca 0.00 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.78 3.59 -1.95 1.61 4.76 0.08 -4.98 118.16 120.48 1o1u n LYS 77 Ca 0.00 -3.53 -0.42 0.00 -2.87 0.00 0.00 58.31 51.50 1o1u n LYS 77 Cb 0.82 -2.94 -0.03 0.00 -1.84 0.00 0.00 35.03 31.04 1o1u n LYS 77 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1o1u s THR 78 N 0.55 2.93 0.40 -0.18 2.01 -1.17 -4.55 115.64 115.62 1o1u s THR 78 Ca 0.40 0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.92 1o1u s THR 78 Cb 0.09 -3.33 -0.00 0.00 0.01 0.00 0.00 72.50 69.27 1o1u s THR 78 CO 0.00 0.01 0.05 0.49 -0.69 0.00 0.00 174.62 174.48 1o1u n PHE 79 N 4.98 0.66 -4.39 4.92 3.72 -1.02 -5.02 117.46 121.31 1o1u n PHE 79 Ca 0.15 -2.15 -0.28 0.00 -0.05 0.00 0.00 57.45 55.13 1o1u n PHE 79 Cb 0.40 -0.18 -0.13 0.00 -0.94 0.00 0.00 39.48 38.64 1o1u n PHE 79 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1o1u s LYS 80 N -3.45 1.40 0.12 -1.08 2.20 -1.26 -1.73 119.74 115.94 1o1u s LYS 80 Ca 0.07 -1.39 -0.24 0.00 -0.36 0.00 0.00 55.97 54.05 1o1u s LYS 80 Cb 0.00 -1.82 0.07 0.00 -1.51 0.00 0.00 37.83 34.57 1o1u s LYS 80 CO 0.05 0.42 0.60 0.00 -0.36 0.00 0.00 175.35 176.05 1o1u s ALA 81 N -1.28 -1.58 -0.47 3.13 0.00 -1.17 -4.25 121.76 116.13 1o1u s ALA 81 Ca 0.15 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 1o1u s ALA 81 Cb -0.09 0.70 0.10 0.00 0.00 0.00 0.00 23.12 23.82 1o1u s ALA 81 CO 0.07 -0.68 0.37 0.99 0.00 0.00 0.00 175.76 176.51 1o1u s THR 82 N -3.24 4.71 0.38 0.00 2.01 -1.21 -3.01 115.64 115.28 1o1u s THR 82 Ca -0.01 -1.41 -0.25 0.00 0.31 0.00 0.00 61.69 60.33 1o1u s THR 82 Cb -0.01 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.47 1o1u s THR 82 CO -0.08 -0.66 1.06 -0.69 -0.69 0.00 0.00 174.62 173.55 1o1u s VAL 83 N 1.51 3.67 0.34 3.82 1.01 -1.26 -3.80 120.40 125.69 1o1u s VAL 83 Ca 0.04 1.35 0.06 0.00 0.00 0.00 0.00 61.98 63.44 1o1u s VAL 83 Cb -0.26 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1o1u s VAL 83 CO 0.03 0.08 0.23 0.00 0.00 0.00 0.00 175.10 175.44 1o1u n GLN 84 N 0.18 0.44 -4.38 2.72 6.02 0.11 -0.05 117.38 122.42 1o1u n GLN 84 Ca 0.04 -3.21 -0.19 0.00 -0.01 0.00 0.00 57.00 53.63 1o1u n GLN 84 Cb 0.49 2.38 -0.10 0.00 1.02 0.00 0.00 30.24 34.02 1o1u n GLN 84 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1o1u s MET 85 N -3.34 1.48 0.39 -1.09 -1.94 -1.26 -0.57 119.30 112.96 1o1u s MET 85 Ca 0.33 -1.78 -0.13 0.00 -1.71 0.00 0.00 55.69 52.40 1o1u s MET 85 Cb 0.02 -0.76 0.05 0.00 2.01 0.00 0.00 34.83 36.14 1o1u s MET 85 CO 0.23 -0.12 0.74 -1.83 -0.01 0.00 0.00 175.02 174.03 1o1u s GLU 86 N -3.86 2.21 -0.77 2.03 -1.05 0.23 -4.82 118.70 112.67 1o1u s GLU 86 Ca 0.32 -1.53 -0.16 0.00 -0.15 0.00 0.00 54.97 53.45 1o1u s GLU 86 Cb 0.07 0.60 -0.21 0.00 -0.44 0.00 0.00 34.13 34.14 1o1u s GLU 86 CO 0.12 -1.02 1.88 0.41 0.95 0.00 0.00 175.26 177.60 1o1u n GLY 87 N -0.55 -0.38 3.82 -3.83 0.00 -1.26 -0.10 105.19 102.90 1o1u n GLY 87 Ca -0.07 0.47 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 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 4.64 -0.43 3.48 -0.02 0.00 -1.26 -4.93 105.19 106.68 1o1u n GLY 88 Ca 0.52 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.60 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 -6.38 0.98 0.16 1.61 2.20 0.86 -4.12 119.74 115.05 1o1u s LYS 89 Ca 0.43 -0.27 0.10 0.00 -0.36 0.00 0.00 55.97 55.87 1o1u s LYS 89 Cb -0.21 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.52 1o1u s LYS 89 CO 0.82 -0.41 -0.23 -1.17 -0.36 0.00 0.00 175.35 174.00 1o1u s LEU 90 N -2.34 2.39 0.02 5.43 2.96 -0.12 -0.60 118.68 126.42 1o1u s LEU 90 Ca 0.02 -0.81 0.02 0.00 -0.22 0.00 0.00 54.13 53.13 1o1u s LEU 90 Cb -0.01 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.59 1o1u s LEU 90 CO -0.08 0.10 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.30 1o1u s VAL 91 N -1.50 0.41 0.10 1.68 1.01 0.26 -2.18 120.40 120.19 1o1u s VAL 91 Ca 0.16 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1o1u s VAL 91 Cb -0.08 -0.43 0.05 0.00 0.00 0.00 0.00 36.38 35.92 1o1u s VAL 91 CO 0.07 -0.15 0.48 0.54 0.00 0.00 0.00 175.10 176.05 1o1u s VAL 92 N -0.75 0.04 -0.10 2.92 0.11 -0.18 0.06 120.40 122.50 1o1u s VAL 92 Ca -0.05 -0.34 -0.04 0.00 -2.93 0.00 0.00 61.98 58.63 1o1u s VAL 92 Cb -0.06 -1.06 0.05 0.00 -1.53 0.00 0.00 36.38 33.78 1o1u s VAL 92 CO 0.00 -0.19 0.20 0.54 -3.33 0.00 0.00 175.10 172.32 1o1u s ASN 93 N -2.49 0.27 0.26 3.54 2.20 -1.25 -2.21 114.94 115.26 1o1u s ASN 93 Ca -0.00 0.43 0.07 0.00 -0.94 0.00 0.00 52.86 52.42 1o1u s ASN 93 Cb 0.00 0.40 -0.03 0.00 -2.00 0.00 0.00 41.25 39.61 1o1u s ASN 93 CO -0.09 -0.21 0.23 -0.36 -2.94 0.00 0.00 177.10 173.73 1o1u s PHE 94 N 1.89 3.13 -0.97 1.54 0.40 -0.58 -3.35 117.98 120.03 1o1u s PHE 94 Ca -0.02 -0.12 -0.19 0.00 -0.60 0.00 0.00 56.93 56.00 1o1u s PHE 94 Cb -0.12 -1.46 -0.10 0.00 0.51 0.00 0.00 43.02 41.85 1o1u s PHE 94 CO -0.07 0.47 2.03 -0.35 0.70 0.00 0.00 175.22 178.00 1o1u n PRO 95 N -1.23 1.91 0.00 0.24 -0.04 -1.26 -3.84 135.00 130.78 1o1u n PRO 95 Ca -0.07 -2.04 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 1o1u n PRO 95 Cb 0.58 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1o1u n PRO 95 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1o1u n ASN 96 N 6.93 0.00 -5.00 3.54 0.23 -1.26 -5.11 115.26 114.60 1o1u n ASN 96 Ca 0.50 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 54.37 1o1u n ASN 96 Cb 0.39 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.11 1o1u n ASN 96 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1o1u s TYR 97 N 0.00 2.33 0.05 -2.53 1.13 -1.25 -4.73 117.35 112.35 1o1u s TYR 97 Ca 0.00 -0.53 -0.00 0.00 -1.41 0.00 0.00 57.07 55.13 1o1u s TYR 97 Cb 0.00 -2.28 -0.03 0.00 -1.10 0.00 0.00 41.96 38.54 1o1u s TYR 97 CO 0.00 -0.61 -0.04 -1.58 -2.51 0.00 0.00 175.55 170.82 1o1u s HIS 98 N -2.48 0.49 0.01 -3.49 2.46 0.97 -1.53 115.29 111.72 1o1u s HIS 98 Ca 0.55 -0.84 -0.21 0.00 0.47 0.00 0.00 55.06 55.03 1o1u s HIS 98 Cb -0.08 -0.34 0.04 0.00 -0.13 0.00 0.00 32.58 32.07 1o1u s HIS 98 CO 0.34 -0.27 0.46 -1.14 -2.47 0.00 0.00 174.74 171.65 1o1u s GLN 99 N -2.98 0.91 -0.23 2.88 -0.44 -0.94 -0.15 119.66 118.72 1o1u s GLN 99 Ca -0.01 -0.19 -0.04 0.00 -2.50 0.00 0.00 55.36 52.63 1o1u s GLN 99 Cb 0.01 0.41 0.09 0.00 -1.64 0.00 0.00 33.01 31.89 1o1u s GLN 99 CO -0.06 -0.30 0.19 0.95 0.50 0.00 0.00 175.29 176.57 1o1u s THR 100 N -1.98 -0.24 0.63 -0.34 -4.23 -0.90 -1.01 115.64 107.56 1o1u s THR 100 Ca -0.08 -0.31 -0.09 0.00 -1.18 0.00 0.00 61.69 60.03 1o1u s THR 100 Cb -0.02 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 73.06 1o1u s THR 100 CO 0.01 -0.36 0.98 -0.44 -0.54 0.00 0.00 174.62 174.27 1o1u s SER 101 N 2.25 5.68 -0.27 3.99 0.01 -0.92 -2.64 113.70 121.80 1o1u s SER 101 Ca 0.07 0.98 -0.17 0.00 1.31 0.00 0.00 55.95 58.14 1o1u s SER 101 Cb -0.16 -1.94 0.08 0.00 0.21 0.00 0.00 66.02 64.21 1o1u s SER 101 CO -0.20 -1.10 0.67 -0.70 0.41 0.00 0.00 173.24 172.33 1o1u s GLU 102 N -5.13 0.70 0.17 12.44 2.12 -0.15 -0.94 118.70 127.91 1o1u s GLU 102 Ca 0.55 1.17 -0.08 0.00 0.36 0.00 0.00 54.97 56.97 1o1u s GLU 102 Cb -0.11 0.16 -0.06 0.00 0.26 0.00 0.00 34.13 34.38 1o1u s GLU 102 CO 0.49 -0.14 0.46 0.42 -0.54 0.00 0.00 175.26 175.94 1o1u s ILE 103 N 1.47 5.05 -0.43 -3.70 -1.09 -1.26 -0.82 121.20 120.43 1o1u s ILE 103 Ca -0.09 0.30 0.05 0.00 -2.23 0.00 0.00 60.65 58.69 1o1u s ILE 103 Cb -0.05 -3.63 0.19 0.00 -1.58 0.00 0.00 42.46 37.39 1o1u s ILE 103 CO -0.17 0.03 0.41 0.52 -1.23 0.00 0.00 174.94 174.50 1o1u n VAL 104 N 0.13 -0.80 0.00 2.92 0.31 -0.12 -4.95 118.33 115.82 1o1u n VAL 104 Ca -0.02 -3.73 0.00 0.00 -0.01 0.00 0.00 64.34 60.59 1o1u n VAL 104 Cb 0.52 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 2.33 1.80 2.36 2.92 0.00 -1.26 -3.39 105.19 109.94 1o1u n GLY 105 Ca 0.27 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.28 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 4.63 1.59 -3.62 1.61 8.00 -1.26 -5.06 116.55 122.43 1o1u n ASP 106 Ca 0.00 -3.13 -0.08 0.00 0.71 0.00 0.00 54.79 52.29 1o1u n ASP 106 Cb 0.00 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.43 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 -2.67 0.45 -0.09 -1.24 2.20 -1.22 -3.37 119.74 113.80 1o1u s LYS 107 Ca 0.41 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 1o1u s LYS 107 Cb 0.34 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.85 1o1u s LYS 107 CO -0.09 -0.09 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.57 1o1u s LEU 108 N -0.22 3.10 0.12 5.43 2.96 0.64 -0.94 118.68 129.76 1o1u s LEU 108 Ca 0.03 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1o1u s LEU 108 Cb -0.04 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1o1u s LEU 108 CO -0.05 0.31 -0.07 0.68 -1.32 0.00 0.00 176.35 175.90 1o1u s VAL 109 N -0.49 0.83 0.17 1.68 -7.23 0.00 0.15 120.40 115.51 1o1u s VAL 109 Ca 0.07 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.26 1o1u s VAL 109 Cb -0.12 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1o1u s VAL 109 CO 0.02 -0.80 0.09 -1.61 -0.31 0.00 0.00 175.10 172.49 1o1u s GLU 110 N -3.82 1.08 -0.28 4.82 2.02 -0.55 -0.98 118.70 120.99 1o1u s GLU 110 Ca 0.14 -1.54 -0.03 0.00 0.02 0.00 0.00 54.97 53.57 1o1u s GLU 110 Cb 0.05 0.20 0.11 0.00 0.10 0.00 0.00 34.13 34.59 1o1u s GLU 110 CO -0.02 -0.31 0.20 0.08 0.02 0.00 0.00 175.26 175.23 1o1u s VAL 111 N -4.06 -0.22 0.69 2.63 1.01 -1.08 -1.91 120.40 117.45 1o1u s VAL 111 Ca 0.31 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1o1u s VAL 111 Cb 0.07 -0.94 0.07 0.00 0.00 0.00 0.00 36.38 35.58 1o1u s VAL 111 CO 0.07 -0.56 0.97 -0.55 0.00 0.00 0.00 175.10 175.03 1o1u s SER 112 N 2.22 4.76 -0.12 3.32 0.15 -0.75 -2.12 113.70 121.16 1o1u s SER 112 Ca 0.09 0.23 -0.30 0.00 0.70 0.00 0.00 55.95 56.67 1o1u s SER 112 Cb -0.15 -0.87 0.10 0.00 -1.71 0.00 0.00 66.02 63.40 1o1u s SER 112 CO -0.32 -1.59 0.87 -0.89 1.20 0.00 0.00 173.24 172.50 1o1u s THR 113 N -3.16 0.00 0.00 6.45 2.01 0.78 -2.58 115.64 119.14 1o1u s THR 113 Ca 0.61 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.61 1o1u s THR 113 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1o1u s THR 113 CO 0.44 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.37 1o1u n ILE 114 N 0.85 0.00 -2.71 1.82 3.06 -1.21 -0.02 119.36 121.14 1o1u n ILE 114 Ca -0.14 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.06 1o1u n ILE 114 Cb 0.57 0.00 0.04 0.00 0.54 0.00 0.00 39.64 40.79 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 -1.45 -1.04 2.20 4.50 0.00 -1.26 -4.88 105.19 103.26 1o1u n GLY 115 Ca 0.00 0.76 -0.09 0.00 0.00 0.00 0.00 46.02 46.69 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 2.26 0.36 3.14 -0.02 0.00 -1.26 -5.03 105.19 104.64 1o1u n GLY 116 Ca 0.11 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.40 0.10 -0.22 1.61 1.01 -1.26 -5.13 120.40 114.11 1o1u s VAL 117 Ca 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1o1u s VAL 117 Cb 0.00 -0.73 0.11 0.00 0.00 0.00 0.00 36.38 35.76 1o1u s VAL 117 CO 0.00 -0.47 0.40 -0.89 0.00 0.00 0.00 175.10 174.13 1o1u s THR 118 N -2.12 -0.62 -0.87 3.92 2.01 -1.26 -3.33 115.64 113.37 1o1u s THR 118 Ca -0.09 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 1o1u s THR 118 Cb -0.04 -0.74 0.23 0.00 0.01 0.00 0.00 72.50 71.96 1o1u s THR 118 CO -0.02 -0.03 0.80 -0.47 -0.69 0.00 0.00 174.62 174.22 1o1u s TYR 119 N 2.58 3.84 0.53 4.92 5.04 -1.07 -4.07 117.35 129.12 1o1u s TYR 119 Ca 0.06 -2.31 -0.06 0.00 -2.44 0.00 0.00 57.07 52.32 1o1u s TYR 119 Cb -0.14 -3.70 -0.02 0.00 0.35 0.00 0.00 41.96 38.45 1o1u s TYR 119 CO -0.14 -0.94 0.85 -1.83 -1.34 0.00 0.00 175.55 172.14 1o1u s GLU 120 N -0.29 3.29 -0.04 4.97 -1.05 -1.26 -1.82 118.70 122.50 1o1u s GLU 120 Ca 0.21 0.14 -0.29 0.00 -0.15 0.00 0.00 54.97 54.89 1o1u s GLU 120 Cb -0.11 -2.32 0.10 0.00 -0.44 0.00 0.00 34.13 31.36 1o1u s GLU 120 CO -0.08 -0.43 0.86 0.50 0.95 0.00 0.00 175.26 177.06 1o1u s ARG 121 N -4.87 0.84 -0.46 -4.83 3.00 -0.80 -2.28 118.95 109.55 1o1u s ARG 121 Ca 0.50 -0.11 0.03 0.00 -1.00 0.00 0.00 55.73 55.16 1o1u s ARG 121 Cb -0.10 0.39 0.16 0.00 0.00 0.00 0.00 34.95 35.39 1o1u s ARG 121 CO 0.45 -0.33 0.33 0.14 0.00 0.00 0.00 175.30 175.90 1o1u s VAL 122 N -2.33 0.95 0.15 7.11 -7.23 -1.23 -1.48 120.40 116.33 1o1u s VAL 122 Ca 0.00 -2.77 -0.31 0.00 -1.81 0.00 0.00 61.98 57.09 1o1u s VAL 122 Cb -0.01 -1.65 -0.08 0.00 0.56 0.00 0.00 36.38 35.20 1o1u s VAL 122 CO -0.04 -1.10 1.35 -0.44 -0.31 0.00 0.00 175.10 174.56 1o1u s SER 123 N 0.00 6.86 0.55 4.85 0.01 0.12 -3.74 113.70 122.35 1o1u s SER 123 Ca 0.26 2.35 -0.01 0.00 1.31 0.00 0.00 55.95 59.86 1o1u s SER 123 Cb -0.07 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.59 1o1u s SER 123 CO -0.12 -0.59 0.80 -0.54 0.41 0.00 0.00 173.24 173.19 1o1u s LYS 124 N 0.56 2.73 -1.06 12.44 -0.14 -0.71 -0.26 119.74 133.30 1o1u s LYS 124 Ca 0.61 -0.48 -0.07 0.00 -1.36 0.00 0.00 55.97 54.67 1o1u s LYS 124 Cb -0.36 -2.43 0.27 0.00 -1.68 0.00 0.00 37.83 33.62 1o1u s LYS 124 CO 0.34 -0.64 1.04 -2.13 -0.76 0.00 0.00 175.35 173.19 1o1u n ARG 125 N -2.38 3.33 0.00 1.68 0.63 -1.22 -1.62 116.66 117.08 1o1u n ARG 125 Ca 0.05 -4.47 0.00 0.00 -0.92 0.00 0.00 57.85 52.51 1o1u n ARG 125 Cb 0.59 -2.51 0.00 0.00 0.45 0.00 0.00 32.46 30.99 1o1u n ARG 125 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1o1u n LEU 126 N 2.51 0.00 0.00 6.15 -0.00 -1.18 -4.94 117.00 119.55 1o1u n LEU 126 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 1o1u n LEU 126 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 1o1u n LEU 126 CO 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.84