#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eio h PHE 2 N 0.00 0.00 -4.19 0.00 -1.00 -1.98 -3.50 116.94 106.26 1eio h PHE 2 Ca 0.00 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.27 1eio h PHE 2 Cb 0.00 0.00 0.10 0.00 3.61 0.00 0.00 35.95 39.66 1eio h PHE 2 CO 0.00 0.40 0.38 0.99 -1.61 0.00 0.00 178.31 178.47 1eio s THR 3 N -3.02 3.16 0.00 -1.55 2.01 -1.26 -4.89 115.64 110.09 1eio s THR 3 Ca 0.04 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.59 1eio s THR 3 Cb 0.07 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.50 1eio s THR 3 CO 0.74 -0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 1eio n GLY 4 N -0.40 1.13 3.46 4.40 0.00 0.07 -4.99 105.19 108.86 1eio n GLY 4 Ca 0.11 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 1eio n GLY 4 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1eio s LYS 5 N -1.46 3.18 -0.05 1.61 2.20 -1.26 -0.20 119.74 123.77 1eio s LYS 5 Ca 0.00 -0.85 0.01 0.00 -0.36 0.00 0.00 55.97 54.77 1eio s LYS 5 Cb 0.00 -3.80 -0.03 0.00 -1.51 0.00 0.00 37.83 32.49 1eio s LYS 5 CO 0.00 -0.58 -0.06 0.71 -0.36 0.00 0.00 175.35 175.07 1eio s TYR 6 N 1.66 2.96 0.25 4.03 1.51 0.16 -3.97 117.35 123.95 1eio s TYR 6 Ca 0.05 0.03 0.06 0.00 -1.01 0.00 0.00 57.07 56.20 1eio s TYR 6 Cb -0.18 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1eio s TYR 6 CO 0.09 0.37 0.32 -2.00 -1.11 0.00 0.00 175.55 173.22 1eio s GLU 7 N -1.01 3.26 0.06 -0.62 2.12 0.89 0.31 118.70 123.72 1eio s GLU 7 Ca 0.14 -0.87 -0.31 0.00 0.36 0.00 0.00 54.97 54.30 1eio s GLU 7 Cb -0.11 -2.79 -0.06 0.00 0.26 0.00 0.00 34.13 31.43 1eio s GLU 7 CO 0.04 0.39 1.23 0.42 -0.54 0.00 0.00 175.26 176.80 1eio s ILE 8 N -2.04 3.94 -0.07 -3.70 1.09 -0.26 0.87 121.20 121.02 1eio s ILE 8 Ca 0.35 1.38 -0.19 0.00 -1.10 0.00 0.00 60.65 61.09 1eio s ILE 8 Cb -0.09 -3.89 -0.30 0.00 -1.06 0.00 0.00 42.46 37.13 1eio s ILE 8 CO 0.28 0.10 0.75 -0.08 -0.10 0.00 0.00 174.94 175.89 1eio h GLU 9 N 6.85 0.29 -1.33 2.79 4.81 -0.41 -3.43 114.58 124.16 1eio h GLU 9 Ca -0.41 -0.50 0.30 0.00 -0.13 0.00 0.00 59.36 58.62 1eio h GLU 9 Cb 1.21 0.19 -0.18 0.00 0.63 0.00 0.00 28.75 30.60 1eio h GLU 9 CO 0.82 1.24 0.87 -1.12 -0.73 0.00 0.00 179.01 180.09 1eio s SER 10 N -7.04 -0.08 0.07 1.04 0.01 -0.57 -5.01 113.70 102.12 1eio s SER 10 Ca -0.16 -0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.04 1eio s SER 10 Cb 0.03 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.33 1eio s SER 10 CO 0.81 -0.17 0.04 -1.61 0.41 0.00 0.00 173.24 172.71 1eio s GLU 11 N -2.29 0.71 0.00 12.44 2.02 -1.26 -1.12 118.70 129.19 1eio s GLU 11 Ca 0.11 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.92 1eio s GLU 11 Cb 0.01 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.49 1eio s GLU 11 CO -0.04 -0.17 0.62 0.36 0.02 0.00 0.00 175.26 176.05 1eio n LYS 12 N 0.04 0.00 -0.42 1.61 2.85 -1.25 -4.98 118.16 116.01 1eio n LYS 12 Ca -0.13 -0.26 0.00 0.00 -1.05 0.00 0.00 58.31 56.87 1eio n LYS 12 Cb 0.62 -0.13 0.00 0.00 -0.65 0.00 0.00 35.03 34.87 1eio n LYS 12 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1eio n ASN 13 N 0.00 0.00 -0.06 -5.58 5.15 -1.26 -5.01 115.26 108.51 1eio n ASN 13 Ca 0.00 -1.12 -0.14 0.00 -0.60 0.00 0.00 54.58 52.72 1eio n ASN 13 Cb 0.55 -0.02 -0.07 0.00 -0.53 0.00 0.00 39.78 39.71 1eio n ASN 13 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1eio h TYR 14 N 0.00 0.62 -0.19 1.20 -0.00 -1.92 -3.11 116.97 113.57 1eio h TYR 14 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 58.73 58.51 1eio h TYR 14 Cb 1.05 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 37.65 1eio h TYR 14 CO -0.20 0.94 0.11 0.22 -0.00 0.00 0.00 178.16 179.23 1eio h ASP 15 N 0.13 0.22 0.63 0.10 1.82 -1.96 -0.63 116.42 116.74 1eio h ASP 15 Ca 0.01 -0.04 -0.07 0.00 -0.39 0.00 0.00 57.03 56.53 1eio h ASP 15 Cb 0.89 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.83 1eio h ASP 15 CO 0.07 0.20 -0.35 -0.33 -1.61 0.00 0.00 179.24 177.22 1eio h GLU 16 N 0.23 0.00 -0.40 0.28 4.39 -2.00 -2.63 114.58 114.45 1eio h GLU 16 Ca 0.07 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1eio h GLU 16 Cb 0.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1eio h GLU 16 CO -0.01 0.35 -0.12 0.35 -1.16 0.00 0.00 179.01 178.42 1eio h PHE 17 N 0.00 0.79 -0.06 4.33 3.57 -1.08 -3.16 116.94 121.33 1eio h PHE 17 Ca -0.00 -0.14 -0.06 0.00 3.53 0.00 0.00 57.97 61.29 1eio h PHE 17 Cb 0.76 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1eio h PHE 17 CO 0.00 0.81 -0.25 0.52 -2.23 0.00 0.00 178.31 177.16 1eio h MET 18 N 0.65 0.10 -0.02 1.11 2.86 -0.91 -1.34 114.93 117.39 1eio h MET 18 Ca 0.11 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.59 1eio h MET 18 Cb 0.58 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1eio h MET 18 CO 0.04 0.34 -0.62 0.87 1.06 0.00 0.00 176.91 178.60 1eio h LYS 19 N 0.09 0.08 0.00 1.72 1.57 -1.60 0.01 116.57 118.45 1eio h LYS 19 Ca 0.01 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1eio h LYS 19 Cb 0.49 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1eio h LYS 19 CO 0.03 0.67 -0.55 0.00 -0.57 0.00 0.00 179.45 179.03 1eio h ARG 20 N 0.06 0.00 0.00 3.15 2.47 -1.29 -3.24 114.38 115.52 1eio h ARG 20 Ca -0.01 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.53 1eio h ARG 20 Cb 1.11 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.40 1eio h ARG 20 CO 0.09 0.55 -0.89 -0.07 0.56 0.00 0.00 179.97 180.21 1eio h LEU 21 N 0.00 0.00 -1.95 3.04 3.38 -1.09 -3.48 115.31 115.21 1eio h LEU 21 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1eio h LEU 21 Cb 1.24 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.05 1eio h LEU 21 CO 0.07 0.89 -0.25 0.00 0.09 0.00 0.00 178.44 179.24 1eio n ALA 22 N -2.34 -0.69 -2.57 1.53 0.00 -0.16 -4.75 120.51 111.53 1eio n ALA 22 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.16 1eio n ALA 22 Cb 0.87 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 1eio n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1eio s LEU 23 N -3.44 4.00 0.00 0.00 1.02 -0.34 -4.43 118.68 115.49 1eio s LEU 23 Ca 0.01 0.61 -0.09 0.00 0.02 0.00 0.00 54.13 54.68 1eio s LEU 23 Cb -0.00 -3.46 0.15 0.00 0.02 0.00 0.00 46.19 42.90 1eio s LEU 23 CO 0.24 -0.27 0.91 -0.81 0.02 0.00 0.00 176.35 176.44 1eio n PRO 24 N -1.42 -0.64 -0.16 1.29 -0.04 -1.26 -4.76 135.00 128.00 1eio n PRO 24 Ca -0.03 -1.68 -0.09 0.00 -0.04 0.00 0.00 63.50 61.66 1eio n PRO 24 Cb 0.55 -0.85 0.05 0.00 -0.04 0.00 0.00 33.50 33.20 1eio n PRO 24 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1eio h SER 25 N -1.03 0.97 -0.03 3.54 4.64 -1.99 -2.96 113.55 116.68 1eio h SER 25 Ca -0.30 -0.31 -0.18 0.00 -0.47 0.00 0.00 61.79 60.53 1eio h SER 25 Cb 0.89 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 62.65 1eio h SER 25 CO 0.24 1.08 -0.32 -0.67 -0.87 0.00 0.00 176.83 176.29 1eio n ASP 26 N -4.15 5.30 0.00 4.97 2.03 -1.26 -1.74 116.55 121.70 1eio n ASP 26 Ca 0.02 -2.50 0.00 0.00 0.52 0.00 0.00 54.79 52.83 1eio n ASP 26 Cb 0.39 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 1eio n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1eio n ALA 27 N 2.32 0.14 0.08 -1.67 0.00 -1.18 -4.87 120.51 115.34 1eio n ALA 27 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.72 1eio n ALA 27 Cb 0.86 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.21 1eio n ALA 27 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1eio h ILE 28 N 0.00 1.59 -0.10 0.00 2.04 -1.27 -3.15 117.51 116.62 1eio h ILE 28 Ca 0.00 -3.11 -0.04 0.00 1.00 0.00 0.00 64.86 62.71 1eio h ILE 28 Cb 0.00 2.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1eio h ILE 28 CO 0.00 0.90 -0.09 -2.24 0.00 0.00 0.00 178.15 176.72 1eio h ASP 29 N 0.05 0.26 -0.14 1.72 2.03 -1.64 -3.38 116.42 115.32 1eio h ASP 29 Ca -0.06 -0.47 0.00 0.00 -0.73 0.00 0.00 57.03 55.77 1eio h ASP 29 Cb 1.77 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 40.20 1eio h ASP 29 CO 0.16 0.68 0.00 0.29 -1.03 0.00 0.00 179.24 179.33 1eio n LYS 30 N -4.66 1.67 -0.17 4.15 5.02 -1.24 -1.27 118.16 121.66 1eio n LYS 30 Ca -0.07 -1.01 0.12 0.00 -2.02 0.00 0.00 58.31 55.33 1eio n LYS 30 Cb 0.32 -1.40 0.24 0.00 -0.02 0.00 0.00 35.03 34.17 1eio n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1eio n ALA 31 N 0.23 2.44 -2.19 7.82 0.00 -1.19 -4.71 120.51 122.91 1eio n ALA 31 Ca 0.16 -0.91 -0.35 0.00 0.00 0.00 0.00 53.44 52.35 1eio n ALA 31 Cb 0.32 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 1eio n ALA 31 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1eio n ARG 32 N 1.28 2.21 -1.91 0.00 3.00 -0.40 -2.86 116.66 117.99 1eio n ARG 32 Ca 0.19 -2.73 0.00 0.00 -0.00 0.00 0.00 57.85 55.31 1eio n ARG 32 Cb 0.56 -3.59 0.00 0.00 0.00 0.00 0.00 32.46 29.43 1eio n ARG 32 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1eio n ASN 33 N 11.57 -1.34 -4.83 6.15 3.02 -1.26 -5.08 115.26 123.48 1eio n ASN 33 Ca 0.47 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.70 1eio n ASN 33 Cb 0.46 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.20 1eio n ASN 33 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1eio s LEU 34 N -0.52 3.57 -0.85 3.41 1.43 -1.14 -4.99 118.68 119.59 1eio s LEU 34 Ca 0.00 1.64 -0.22 0.00 -1.03 0.00 0.00 54.13 54.52 1eio s LEU 34 Cb 0.00 -4.51 0.08 0.00 0.03 0.00 0.00 46.19 41.79 1eio s LEU 34 CO 0.00 -0.77 1.17 -0.54 0.23 0.00 0.00 176.35 176.44 1eio s LYS 35 N -4.11 3.41 0.54 1.70 -0.14 -1.26 -5.01 119.74 114.87 1eio s LYS 35 Ca 0.60 -1.18 -0.18 0.00 -1.36 0.00 0.00 55.97 53.85 1eio s LYS 35 Cb -0.12 -4.74 -0.06 0.00 -1.68 0.00 0.00 37.83 31.23 1eio s LYS 35 CO 0.34 -1.93 1.06 0.42 -0.76 0.00 0.00 175.35 174.48 1eio s ILE 36 N 3.96 3.69 -0.15 2.17 1.01 -1.26 -4.55 121.20 126.06 1eio s ILE 36 Ca 0.33 0.94 0.01 0.00 0.00 0.00 0.00 60.65 61.93 1eio s ILE 36 Cb -0.07 -3.39 0.02 0.00 0.01 0.00 0.00 42.46 39.03 1eio s ILE 36 CO -0.01 -0.34 -0.16 -0.63 0.00 0.00 0.00 174.94 173.80 1eio s ILE 37 N -2.15 1.72 -0.35 2.92 1.09 0.12 -1.11 121.20 123.45 1eio s ILE 37 Ca 0.67 -0.73 -0.19 0.00 -1.10 0.00 0.00 60.65 59.29 1eio s ILE 37 Cb -0.17 -1.58 -0.00 0.00 -1.06 0.00 0.00 42.46 39.64 1eio s ILE 37 CO 0.28 0.48 0.58 -0.44 -0.10 0.00 0.00 174.94 175.75 1eio s SER 38 N 1.34 6.38 0.04 3.58 0.01 0.15 0.41 113.70 125.61 1eio s SER 38 Ca 0.03 0.08 -0.10 0.00 1.31 0.00 0.00 55.95 57.26 1eio s SER 38 Cb -0.13 -2.30 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 1eio s SER 38 CO -0.10 -0.54 0.37 -1.61 0.41 0.00 0.00 173.24 171.77 1eio s GLU 39 N 2.56 3.75 -0.34 12.44 0.41 0.10 0.37 118.70 137.99 1eio s GLU 39 Ca 0.22 0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.95 1eio s GLU 39 Cb -0.15 -3.07 0.14 0.00 -1.78 0.00 0.00 34.13 29.27 1eio s GLU 39 CO 0.14 0.61 0.27 0.08 -0.49 0.00 0.00 175.26 175.87 1eio s VAL 40 N -1.29 -0.13 -0.22 2.63 1.01 0.72 -0.26 120.40 122.85 1eio s VAL 40 Ca 0.29 -1.14 -0.20 0.00 0.00 0.00 0.00 61.98 60.93 1eio s VAL 40 Cb -0.14 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1eio s VAL 40 CO 0.16 -0.74 0.58 -0.75 0.00 0.00 0.00 175.10 174.35 1eio s LYS 41 N 1.54 4.17 -0.09 2.72 2.36 -0.45 -0.75 119.74 129.23 1eio s LYS 41 Ca 0.15 0.51 -0.12 0.00 -2.55 0.00 0.00 55.97 53.96 1eio s LYS 41 Cb -0.18 -3.60 -0.05 0.00 -1.05 0.00 0.00 37.83 32.96 1eio s LYS 41 CO -0.11 -0.26 0.27 -1.14 1.55 0.00 0.00 175.35 175.66 1eio s GLN 42 N 2.00 3.87 -0.20 4.03 0.74 -1.26 0.22 119.66 129.06 1eio s GLN 42 Ca 0.26 0.11 0.16 0.00 0.05 0.00 0.00 55.36 55.94 1eio s GLN 42 Cb -0.16 -3.28 -0.24 0.00 1.10 0.00 0.00 33.01 30.44 1eio s GLN 42 CO 0.10 0.57 0.03 -0.25 -0.55 0.00 0.00 175.29 175.19 1eio n ASP 43 N 2.45 0.33 0.00 6.67 8.00 0.65 -4.93 116.55 129.71 1eio n ASP 43 Ca -0.15 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1eio n ASP 43 Cb 0.53 0.82 0.00 0.00 -0.02 0.00 0.00 41.12 42.45 1eio n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1eio n GLY 44 N 1.84 -1.58 0.19 0.44 0.00 -1.26 -4.73 105.19 100.08 1eio n GLY 44 Ca -0.34 0.64 0.12 0.00 0.00 0.00 0.00 46.02 46.44 1eio n GLY 44 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1eio h GLN 45 N 0.00 0.00 -6.72 1.61 5.75 -1.97 -3.45 115.11 110.33 1eio h GLN 45 Ca 0.00 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 58.00 1eio h GLN 45 Cb 0.00 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.56 1eio h GLN 45 CO 0.00 0.00 -0.01 -0.80 -2.65 0.00 0.00 178.83 175.37 1eio s ASN 46 N -5.87 6.37 0.03 -0.69 -0.87 -1.26 -1.44 114.94 111.22 1eio s ASN 46 Ca 0.06 0.83 -0.00 0.00 -1.57 0.00 0.00 52.86 52.18 1eio s ASN 46 Cb 0.07 -2.20 -0.03 0.00 -0.02 0.00 0.00 41.25 39.07 1eio s ASN 46 CO 0.69 -0.39 -0.03 -0.36 -2.57 0.00 0.00 177.10 174.44 1eio s PHE 47 N -2.41 0.37 -0.45 2.20 0.40 0.44 -0.25 117.98 118.27 1eio s PHE 47 Ca 0.46 -0.68 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 1eio s PHE 47 Cb -0.10 -0.27 0.15 0.00 0.51 0.00 0.00 43.02 43.31 1eio s PHE 47 CO 0.36 -0.23 0.29 0.99 0.70 0.00 0.00 175.22 177.33 1eio s THR 48 N -2.16 1.18 0.46 0.64 2.01 0.13 -0.53 115.64 117.37 1eio s THR 48 Ca -0.09 -2.65 -0.10 0.00 0.31 0.00 0.00 61.69 59.15 1eio s THR 48 Cb -0.05 -1.82 -0.06 0.00 0.01 0.00 0.00 72.50 70.59 1eio s THR 48 CO -0.03 -0.99 0.83 0.86 -0.69 0.00 0.00 174.62 174.60 1eio s TRP 49 N 0.18 3.50 -0.10 4.92 -0.11 0.76 -1.34 118.94 126.75 1eio s TRP 49 Ca 0.22 1.09 -0.16 0.00 1.22 0.00 0.00 56.10 58.47 1eio s TRP 49 Cb -0.16 -2.50 0.04 0.00 -1.50 0.00 0.00 33.47 29.35 1eio s TRP 49 CO -0.06 -0.24 0.40 0.45 -4.62 0.00 0.00 176.95 172.88 1eio s SER 50 N -3.45 -0.37 -0.42 5.86 0.15 0.63 -0.21 113.70 115.89 1eio s SER 50 Ca 0.52 0.59 -0.01 0.00 0.70 0.00 0.00 55.95 57.75 1eio s SER 50 Cb -0.10 0.66 0.11 0.00 -1.71 0.00 0.00 66.02 64.98 1eio s SER 50 CO 0.37 -0.27 0.20 -1.10 1.20 0.00 0.00 173.24 173.63 1eio s GLN 51 N -0.37 1.95 0.27 5.44 -1.52 0.80 0.00 119.66 126.23 1eio s GLN 51 Ca -0.05 -1.91 -0.06 0.00 -1.95 0.00 0.00 55.36 51.39 1eio s GLN 51 Cb -0.03 -3.52 -0.05 0.00 -0.22 0.00 0.00 33.01 29.18 1eio s GLN 51 CO 0.02 -1.06 0.54 -0.65 -0.25 0.00 0.00 175.29 173.89 1eio s GLN 52 N 0.96 3.66 -0.36 2.91 -0.21 0.17 -1.03 119.66 125.75 1eio s GLN 52 Ca 0.10 0.03 0.06 0.00 0.02 0.00 0.00 55.36 55.57 1eio s GLN 52 Cb -0.22 -2.66 0.18 0.00 1.00 0.00 0.00 33.01 31.30 1eio s GLN 52 CO -0.05 0.25 0.53 -0.47 -2.12 0.00 0.00 175.29 173.44 1eio s TYR 53 N -2.01 -1.35 -1.33 0.91 6.14 -1.26 -0.70 117.35 117.76 1eio s TYR 53 Ca 0.44 0.21 -0.12 0.00 0.64 0.00 0.00 57.07 58.24 1eio s TYR 53 Cb -0.11 0.09 -0.05 0.00 0.42 0.00 0.00 41.96 42.31 1eio s TYR 53 CO 0.28 -1.09 2.43 -0.35 0.64 0.00 0.00 175.55 177.47 1eio n PRO 54 N 4.73 2.83 -0.43 4.97 -0.04 -1.26 -3.45 135.00 142.35 1eio n PRO 54 Ca 0.08 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1eio n PRO 54 Cb 0.53 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 1eio n PRO 54 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1eio n GLY 55 N 3.91 0.73 1.06 0.55 0.00 -1.26 -5.02 105.19 105.16 1eio n GLY 55 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1eio n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eio n GLY 56 N 0.00 0.73 3.42 -0.02 0.00 -1.22 -5.00 105.19 103.09 1eio n GLY 56 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1eio n GLY 56 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1eio s HIS 57 N -2.00 1.78 -0.19 1.61 3.76 -1.25 -5.17 115.29 113.83 1eio s HIS 57 Ca 0.00 -1.49 -0.35 0.00 -0.15 0.00 0.00 55.06 53.06 1eio s HIS 57 Cb 0.00 -0.96 0.14 0.00 1.11 0.00 0.00 32.58 32.88 1eio s HIS 57 CO 0.00 -0.59 1.31 -1.12 -0.85 0.00 0.00 174.74 173.49 1eio s SER 58 N -3.52 -0.06 -0.29 1.40 0.01 -1.26 -4.05 113.70 105.92 1eio s SER 58 Ca 0.30 -0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.50 1eio s SER 58 Cb 0.02 0.08 0.10 0.00 0.21 0.00 0.00 66.02 66.43 1eio s SER 58 CO 0.21 -0.14 0.12 -0.63 0.41 0.00 0.00 173.24 173.21 1eio s ILE 59 N -2.24 0.02 0.43 1.44 1.01 -0.20 -5.03 121.20 116.64 1eio s ILE 59 Ca 0.12 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 1eio s ILE 59 Cb 0.01 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 1eio s ILE 59 CO -0.04 -0.70 0.71 -0.89 0.00 0.00 0.00 174.94 174.02 1eio s THR 60 N 2.05 4.95 -0.29 2.92 2.01 -1.26 -0.14 115.64 125.87 1eio s THR 60 Ca 0.09 0.10 -0.07 0.00 0.31 0.00 0.00 61.69 62.11 1eio s THR 60 Cb -0.16 -3.84 0.14 0.00 0.01 0.00 0.00 72.50 68.66 1eio s THR 60 CO -0.35 -0.70 0.62 0.20 -0.69 0.00 0.00 174.62 173.70 1eio s ASN 61 N -3.89 -1.13 -0.02 3.53 0.02 0.70 -4.95 114.94 109.19 1eio s ASN 61 Ca 0.46 1.31 -0.17 0.00 -1.02 0.00 0.00 52.86 53.44 1eio s ASN 61 Cb -0.10 2.18 -0.05 0.00 0.02 0.00 0.00 41.25 43.30 1eio s ASN 61 CO 0.40 -0.23 0.46 -0.89 0.02 0.00 0.00 177.10 176.86 1eio s THR 62 N 2.86 5.02 0.23 1.60 2.01 -1.26 -0.17 115.64 125.93 1eio s THR 62 Ca 0.02 0.95 -0.10 0.00 0.31 0.00 0.00 61.69 62.88 1eio s THR 62 Cb -0.13 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1eio s THR 62 CO -0.19 0.49 0.38 0.72 -0.69 0.00 0.00 174.62 175.33 1eio s PHE 63 N -0.54 0.55 -0.02 4.92 -0.12 0.31 -5.00 117.98 118.09 1eio s PHE 63 Ca 0.25 -0.88 0.03 0.00 -0.05 0.00 0.00 56.93 56.28 1eio s PHE 63 Cb -0.17 -0.01 -0.00 0.00 -0.63 0.00 0.00 43.02 42.21 1eio s PHE 63 CO 0.14 -0.89 -0.10 0.99 -0.05 0.00 0.00 175.22 175.31 1eio s THR 64 N -4.05 0.85 0.16 -4.49 2.01 -1.26 -0.42 115.64 108.43 1eio s THR 64 Ca 0.26 -0.42 -0.22 0.00 0.31 0.00 0.00 61.69 61.61 1eio s THR 64 Cb 0.01 -0.73 -0.08 0.00 0.01 0.00 0.00 72.50 71.72 1eio s THR 64 CO 0.09 0.25 0.71 -0.63 -0.69 0.00 0.00 174.62 174.35 1eio s ILE 65 N -0.03 4.51 0.00 1.82 1.01 -0.52 -4.15 121.20 123.85 1eio s ILE 65 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1eio s ILE 65 Cb -0.07 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1eio s ILE 65 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1eio n GLY 66 N 1.39 0.87 3.71 6.18 0.00 0.45 -4.94 105.19 112.86 1eio n GLY 66 Ca -0.06 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 1eio n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1eio s LYS 67 N -4.45 1.59 0.30 1.61 2.20 -0.99 -5.04 119.74 114.96 1eio s LYS 67 Ca 0.00 -0.80 -0.13 0.00 -0.36 0.00 0.00 55.97 54.68 1eio s LYS 67 Cb 0.00 0.59 -0.08 0.00 -1.51 0.00 0.00 37.83 36.83 1eio s LYS 67 CO 0.00 -0.72 0.68 -1.83 -0.36 0.00 0.00 175.35 173.12 1eio s GLU 68 N -3.83 3.94 0.18 4.03 4.04 -1.26 -0.38 118.70 125.42 1eio s GLU 68 Ca 0.08 0.55 0.08 0.00 0.04 0.00 0.00 54.97 55.72 1eio s GLU 68 Cb -0.04 -2.49 -0.04 0.00 0.02 0.00 0.00 34.13 31.57 1eio s GLU 68 CO 0.00 0.20 -0.17 0.00 -1.84 0.00 0.00 175.26 173.45 1eio s ASP 70 N -2.89 6.68 -0.08 0.00 1.11 -1.26 -0.38 116.67 119.84 1eio s ASP 70 Ca 0.18 0.96 -0.05 0.00 0.18 0.00 0.00 52.55 53.82 1eio s ASP 70 Cb -0.04 -2.24 0.04 0.00 1.07 0.00 0.00 42.92 41.74 1eio s ASP 70 CO 0.07 -0.01 0.20 -0.63 1.18 0.00 0.00 175.17 175.98 1eio s ILE 71 N -1.70 -0.03 0.38 0.77 -1.09 0.87 -4.92 121.20 115.48 1eio s ILE 71 Ca 0.44 0.11 0.04 0.00 -2.23 0.00 0.00 60.65 59.01 1eio s ILE 71 Cb -0.12 -0.31 -0.04 0.00 -1.58 0.00 0.00 42.46 40.41 1eio s ILE 71 CO 0.20 0.05 0.09 -1.61 -1.23 0.00 0.00 174.94 172.44 1eio s GLU 72 N 0.88 1.82 0.00 2.79 8.01 -1.26 -0.13 118.70 130.82 1eio s GLU 72 Ca -0.06 -2.07 0.00 0.00 0.01 0.00 0.00 54.97 52.84 1eio s GLU 72 Cb -0.08 -0.80 0.00 0.00 -4.31 0.00 0.00 34.13 28.94 1eio s GLU 72 CO -0.05 -0.34 0.00 0.25 0.01 0.00 0.00 175.26 175.13 1eio n THR 73 N -0.84 0.00 -2.50 3.63 -2.24 -0.94 -4.89 114.28 106.51 1eio n THR 73 Ca -0.05 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 1eio n THR 73 Cb 0.66 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 1eio n THR 73 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1eio s ILE 74 N -0.10 3.97 0.00 2.28 -1.09 -1.26 -0.98 121.20 124.02 1eio s ILE 74 Ca 0.00 -1.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.03 1eio s ILE 74 Cb 0.00 -5.03 0.00 0.00 -1.58 0.00 0.00 42.46 35.85 1eio s ILE 74 CO 0.00 -1.84 0.00 0.61 -1.23 0.00 0.00 174.94 172.48 1eio n GLY 75 N 5.97 0.82 2.10 6.18 0.00 -1.26 -4.63 105.19 114.37 1eio n GLY 75 Ca 0.43 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 1eio n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eio n GLY 76 N -2.03 0.61 3.96 -0.02 0.00 -0.15 -4.96 105.19 102.61 1eio n GLY 76 Ca 0.00 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 1eio n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eio s LYS 77 N -2.11 2.65 -0.38 1.61 3.01 -1.26 -4.89 119.74 118.36 1eio s LYS 77 Ca 0.00 -1.42 0.02 0.00 -1.01 0.00 0.00 55.97 53.56 1eio s LYS 77 Cb 0.00 -2.59 0.11 0.00 -1.01 0.00 0.00 37.83 34.34 1eio s LYS 77 CO 0.00 -0.32 0.14 0.21 0.51 0.00 0.00 175.35 175.89 1eio s LYS 78 N -4.31 1.27 0.16 1.68 2.36 -1.26 -2.22 119.74 117.42 1eio s LYS 78 Ca 0.53 -1.78 0.03 0.00 -2.55 0.00 0.00 55.97 52.20 1eio s LYS 78 Cb -0.07 -2.64 -0.04 0.00 -1.05 0.00 0.00 37.83 34.03 1eio s LYS 78 CO 0.31 -1.03 0.26 -0.06 1.55 0.00 0.00 175.35 176.38 1eio s PHE 79 N 0.81 3.42 0.32 4.03 0.40 0.82 -4.99 117.98 122.78 1eio s PHE 79 Ca 0.13 0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.58 1eio s PHE 79 Cb -0.21 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 41.67 1eio s PHE 79 CO -0.10 0.51 0.48 0.15 0.70 0.00 0.00 175.22 176.96 1eio s LYS 80 N -3.26 3.26 -0.07 0.44 1.02 -1.26 -0.09 119.74 119.79 1eio s LYS 80 Ca 0.34 -0.75 -0.09 0.00 0.02 0.00 0.00 55.97 55.49 1eio s LYS 80 Cb -0.11 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 1eio s LYS 80 CO 0.28 0.14 0.22 0.00 -0.92 0.00 0.00 175.35 175.07 1eio s ALA 81 N -2.19 -0.55 0.28 5.17 0.00 0.49 -4.71 121.76 120.24 1eio s ALA 81 Ca 0.41 0.49 -0.27 0.00 0.00 0.00 0.00 51.96 52.60 1eio s ALA 81 Cb -0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.68 1eio s ALA 81 CO 0.32 -0.14 0.91 0.95 0.00 0.00 0.00 175.76 177.80 1eio s THR 82 N -0.27 4.21 -0.03 0.00 -4.23 0.83 -0.19 115.64 115.96 1eio s THR 82 Ca -0.04 1.85 0.01 0.00 -1.18 0.00 0.00 61.69 62.33 1eio s THR 82 Cb -0.03 -4.11 0.03 0.00 1.34 0.00 0.00 72.50 69.73 1eio s THR 82 CO 0.01 0.29 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.68 1eio s VAL 83 N -1.44 0.20 0.20 2.29 1.01 0.49 -0.36 120.40 122.79 1eio s VAL 83 Ca 0.46 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 62.35 1eio s VAL 83 Cb -0.21 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 35.90 1eio s VAL 83 CO 0.26 0.15 0.47 -1.10 0.00 0.00 0.00 175.10 174.88 1eio s GLN 84 N 0.96 1.37 -0.21 2.72 -0.21 0.32 -0.41 119.66 124.20 1eio s GLN 84 Ca -0.10 -0.99 -0.02 0.00 0.02 0.00 0.00 55.36 54.26 1eio s GLN 84 Cb -0.13 0.49 0.00 0.00 1.00 0.00 0.00 33.01 34.36 1eio s GLN 84 CO -0.01 -0.57 -0.09 1.41 -2.12 0.00 0.00 175.29 173.91 1eio s MET 85 N -3.92 3.24 0.62 2.91 1.75 -1.26 -0.26 119.30 122.39 1eio s MET 85 Ca 0.13 -0.70 -0.10 0.00 -1.25 0.00 0.00 55.69 53.77 1eio s MET 85 Cb -0.00 -2.89 0.14 0.00 2.84 0.00 0.00 34.83 34.92 1eio s MET 85 CO -0.00 -0.21 0.85 0.39 -0.65 0.00 0.00 175.02 175.40 1eio n GLU 86 N 4.74 -0.73 -2.11 4.11 1.02 0.82 -4.90 120.64 123.60 1eio n GLU 86 Ca -0.19 -1.42 -0.28 0.00 -0.02 0.00 0.00 57.16 55.25 1eio n GLU 86 Cb 0.50 -0.84 -0.05 0.00 -0.02 0.00 0.00 31.44 31.03 1eio n GLU 86 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1eio s GLY 87 N -4.82 0.30 0.00 0.62 0.00 -1.26 -2.54 107.32 99.61 1eio s GLY 87 Ca 0.49 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1eio s GLY 87 CO 0.34 3.41 0.00 0.61 0.00 0.00 0.00 173.10 177.46 1eio n GLY 88 N 6.68 3.05 3.90 0.20 0.00 -1.26 -5.05 105.19 112.72 1eio n GLY 88 Ca 0.40 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 1eio n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1eio s LYS 89 N -0.20 3.48 0.65 1.61 -2.85 -1.05 -4.72 119.74 116.65 1eio s LYS 89 Ca 0.00 -0.29 -0.11 0.00 -1.00 0.00 0.00 55.97 54.57 1eio s LYS 89 Cb 0.00 -3.06 -0.02 0.00 -2.06 0.00 0.00 37.83 32.70 1eio s LYS 89 CO 0.00 0.63 1.04 0.08 0.10 0.00 0.00 175.35 177.21 1eio s VAL 90 N -1.40 4.21 -0.27 1.79 1.01 0.68 -0.13 120.40 126.30 1eio s VAL 90 Ca 0.31 0.67 -0.25 0.00 0.00 0.00 0.00 61.98 62.71 1eio s VAL 90 Cb -0.13 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.62 1eio s VAL 90 CO 0.21 -0.92 0.73 0.54 0.00 0.00 0.00 175.10 175.67 1eio s VAL 91 N -3.23 0.00 -0.06 2.92 0.11 0.65 0.51 120.40 121.30 1eio s VAL 91 Ca 0.56 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.61 1eio s VAL 91 Cb -0.11 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 1eio s VAL 91 CO 0.53 0.00 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.57 1eio s VAL 92 N 0.34 4.00 -0.04 2.04 1.01 0.46 -0.52 120.40 127.69 1eio s VAL 92 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1eio s VAL 92 Cb -0.05 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.68 1eio s VAL 92 CO 0.01 0.56 0.08 0.20 0.00 0.00 0.00 175.10 175.96 1eio s ASN 93 N -0.97 -0.02 0.34 3.32 0.01 0.52 -0.12 114.94 118.02 1eio s ASN 93 Ca 0.14 0.16 -0.17 0.00 -0.71 0.00 0.00 52.86 52.28 1eio s ASN 93 Cb -0.11 0.06 0.04 0.00 0.41 0.00 0.00 41.25 41.64 1eio s ASN 93 CO 0.03 -0.13 0.74 -0.94 -1.51 0.00 0.00 177.10 175.29 1eio s SER 94 N 1.07 -0.05 -0.10 -1.22 1.04 0.67 -0.12 113.70 114.99 1eio s SER 94 Ca -0.09 -0.97 -0.29 0.00 0.48 0.00 0.00 55.95 55.08 1eio s SER 94 Cb -0.12 0.79 -0.06 0.00 0.10 0.00 0.00 66.02 66.74 1eio s SER 94 CO -0.04 -1.53 1.86 -2.84 0.98 0.00 0.00 173.24 171.67 1eio s PRO 95 N -2.97 3.86 -0.56 4.02 0.02 -1.26 -1.24 135.00 136.88 1eio s PRO 95 Ca 0.15 2.17 -0.02 0.00 0.02 0.00 0.00 61.00 63.32 1eio s PRO 95 Cb -0.05 -4.14 0.00 0.00 0.02 0.00 0.00 34.50 30.34 1eio s PRO 95 CO 0.10 -1.25 0.23 -1.71 -0.33 0.00 0.00 177.00 174.05 1eio n ASN 96 N 8.51 -3.21 -3.47 2.53 2.85 -1.26 -5.03 115.26 116.18 1eio n ASN 96 Ca 0.21 -0.11 0.01 0.00 -0.11 0.00 0.00 54.58 54.58 1eio n ASN 96 Cb 0.43 -2.11 -0.04 0.00 1.24 0.00 0.00 39.78 39.31 1eio n ASN 96 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1eio s TYR 97 N -2.78 -0.87 0.10 1.20 5.04 -0.37 -3.84 117.35 115.82 1eio s TYR 97 Ca 0.12 1.50 0.10 0.00 -2.44 0.00 0.00 57.07 56.35 1eio s TYR 97 Cb -0.05 0.52 -0.04 0.00 0.35 0.00 0.00 41.96 42.74 1eio s TYR 97 CO 0.14 -0.44 -0.26 -1.58 -1.34 0.00 0.00 175.55 172.08 1eio s HIS 98 N 2.59 2.27 -0.37 4.97 5.65 0.13 -0.24 115.29 130.29 1eio s HIS 98 Ca -0.03 -0.39 0.06 0.00 0.25 0.00 0.00 55.06 54.94 1eio s HIS 98 Cb -0.08 -1.27 0.17 0.00 -1.18 0.00 0.00 32.58 30.22 1eio s HIS 98 CO -0.18 0.26 0.52 -1.58 -0.65 0.00 0.00 174.74 173.12 1eio s HIS 99 N -0.99 -1.21 0.69 3.88 5.04 0.82 -0.08 115.29 123.45 1eio s HIS 99 Ca 0.13 -0.01 -0.11 0.00 -1.54 0.00 0.00 55.06 53.53 1eio s HIS 99 Cb -0.10 0.03 0.01 0.00 0.04 0.00 0.00 32.58 32.57 1eio s HIS 99 CO 0.05 -1.08 1.08 0.95 -2.34 0.00 0.00 174.74 173.39 1eio s THR 100 N 1.88 3.56 -0.40 0.89 -4.23 0.31 -0.40 115.64 117.24 1eio s THR 100 Ca 0.15 0.45 0.05 0.00 -1.18 0.00 0.00 61.69 61.16 1eio s THR 100 Cb -0.09 -3.49 0.17 0.00 1.34 0.00 0.00 72.50 70.42 1eio s THR 100 CO -0.10 -0.64 0.49 0.00 -0.54 0.00 0.00 174.62 173.83 1eio s ALA 101 N -3.32 -1.03 0.29 3.99 0.00 0.18 -1.81 121.76 120.06 1eio s ALA 101 Ca 0.58 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1eio s ALA 101 Cb -0.11 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 1eio s ALA 101 CO 0.51 -2.17 0.45 -2.00 0.00 0.00 0.00 175.76 172.55 1eio s GLU 102 N 1.36 3.47 -0.09 0.00 2.56 0.19 -0.23 118.70 125.95 1eio s GLU 102 Ca 0.20 -0.54 -0.02 0.00 0.00 0.00 0.00 54.97 54.61 1eio s GLU 102 Cb -0.09 -2.78 -0.03 0.00 2.00 0.00 0.00 34.13 33.23 1eio s GLU 102 CO -0.05 0.30 -0.01 0.42 -0.56 0.00 0.00 175.26 175.35 1eio s ILE 103 N -2.13 4.19 -0.03 -3.70 -1.09 -1.26 0.60 121.20 117.78 1eio s ILE 103 Ca 0.37 -0.29 -0.17 0.00 -2.23 0.00 0.00 60.65 58.33 1eio s ILE 103 Cb -0.09 -2.76 0.03 0.00 -1.58 0.00 0.00 42.46 38.06 1eio s ILE 103 CO 0.32 0.59 0.37 0.54 -1.23 0.00 0.00 174.94 175.53 1eio s VAL 104 N -0.75 0.04 -0.80 2.92 0.11 -0.55 -4.91 120.40 116.47 1eio s VAL 104 Ca 0.12 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 1eio s VAL 104 Cb -0.11 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1eio s VAL 104 CO 0.02 -0.20 0.00 -0.90 -3.33 0.00 0.00 175.10 170.69 1eio n ASP 105 N 1.36 -5.17 0.00 3.54 5.68 -1.26 0.68 116.55 121.38 1eio n ASP 105 Ca -0.21 0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1eio n ASP 105 Cb 0.56 -3.66 0.00 0.00 -1.14 0.00 0.00 41.12 36.88 1eio n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1eio n GLY 106 N 0.39 2.43 3.90 6.12 0.00 -1.26 -4.99 105.19 111.78 1eio n GLY 106 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1eio n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1eio s LYS 107 N -0.22 2.65 0.02 1.61 -2.85 0.22 -4.31 119.74 116.86 1eio s LYS 107 Ca 0.00 0.20 -0.14 0.00 -1.00 0.00 0.00 55.97 55.03 1eio s LYS 107 Cb 0.00 -2.09 -0.06 0.00 -2.06 0.00 0.00 37.83 33.62 1eio s LYS 107 CO 0.00 -1.06 0.41 -0.51 0.10 0.00 0.00 175.35 174.29 1eio s LEU 108 N -5.29 4.45 -0.18 2.77 1.43 0.44 -1.49 118.68 120.81 1eio s LEU 108 Ca 0.58 0.94 -0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1eio s LEU 108 Cb -0.11 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.42 1eio s LEU 108 CO 0.49 0.29 -0.15 -0.69 0.23 0.00 0.00 176.35 176.51 1eio s VAL 109 N -1.16 2.51 0.09 -1.59 1.01 0.20 -0.48 120.40 120.98 1eio s VAL 109 Ca 0.26 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1eio s VAL 109 Cb -0.16 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1eio s VAL 109 CO 0.15 0.51 0.23 -1.61 0.00 0.00 0.00 175.10 174.37 1eio s GLU 110 N 1.22 3.41 -0.17 2.72 2.02 0.15 0.53 118.70 128.58 1eio s GLU 110 Ca 0.03 -0.52 -0.02 0.00 0.02 0.00 0.00 54.97 54.48 1eio s GLU 110 Cb -0.14 -2.99 0.05 0.00 0.10 0.00 0.00 34.13 31.15 1eio s GLU 110 CO -0.07 0.57 0.02 0.08 0.02 0.00 0.00 175.26 175.88 1eio s VAL 111 N -1.59 0.51 0.21 2.63 1.01 -0.75 -0.88 120.40 121.54 1eio s VAL 111 Ca 0.35 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 1eio s VAL 111 Cb -0.12 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 1eio s VAL 111 CO 0.28 -0.09 0.48 -0.44 0.00 0.00 0.00 175.10 175.33 1eio s SER 112 N 1.88 6.52 -0.13 3.32 0.01 0.19 -0.53 113.70 124.97 1eio s SER 112 Ca 0.01 0.73 -0.05 0.00 1.31 0.00 0.00 55.95 57.94 1eio s SER 112 Cb -0.16 -2.15 0.06 0.00 0.21 0.00 0.00 66.02 63.98 1eio s SER 112 CO -0.07 -0.06 0.27 -0.89 0.41 0.00 0.00 173.24 172.89 1eio s THR 113 N -1.84 -0.30 0.38 1.44 2.01 0.88 0.04 115.64 118.26 1eio s THR 113 Ca 0.44 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.71 1eio s THR 113 Cb -0.11 -0.44 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 1eio s THR 113 CO 0.25 0.10 0.12 0.55 -0.69 0.00 0.00 174.62 174.95 1eio n VAL 114 N 4.98 0.00 -1.79 3.82 3.14 -0.09 -0.69 118.33 127.70 1eio n VAL 114 Ca -0.13 -2.17 -0.32 0.00 -2.96 0.00 0.00 64.34 58.76 1eio n VAL 114 Cb 0.51 0.76 -0.04 0.00 -1.06 0.00 0.00 33.84 34.01 1eio n VAL 114 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1eio s GLY 115 N -3.31 -0.20 0.00 7.55 0.00 -1.25 -2.58 107.32 107.54 1eio s GLY 115 Ca 0.18 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1eio s GLY 115 CO 0.12 3.82 0.00 0.61 0.00 0.00 0.00 173.10 177.66 1eio n GLY 116 N 6.13 0.75 3.04 0.20 0.00 -1.26 -5.00 105.19 109.05 1eio n GLY 116 Ca 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 1eio n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1eio s VAL 117 N -2.57 0.11 0.30 1.61 1.01 -1.06 -5.16 120.40 114.63 1eio s VAL 117 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.17 1eio s VAL 117 Cb 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 1eio s VAL 117 CO 0.00 -0.50 -0.12 -0.44 0.00 0.00 0.00 175.10 174.05 1eio s SER 118 N -1.57 3.37 -0.30 3.32 0.01 -1.26 -0.91 113.70 116.35 1eio s SER 118 Ca -0.13 -1.14 0.03 0.00 1.31 0.00 0.00 55.95 56.01 1eio s SER 118 Cb -0.08 -0.28 0.16 0.00 0.21 0.00 0.00 66.02 66.04 1eio s SER 118 CO -0.01 -0.17 0.43 -0.47 0.41 0.00 0.00 173.24 173.43 1eio s TYR 119 N -2.71 -1.04 0.33 2.43 5.04 0.11 -4.85 117.35 116.66 1eio s TYR 119 Ca 0.30 0.25 -0.07 0.00 -2.44 0.00 0.00 57.07 55.12 1eio s TYR 119 Cb 0.01 -0.13 -0.06 0.00 0.35 0.00 0.00 41.96 42.13 1eio s TYR 119 CO 0.14 -1.00 0.63 -1.83 -1.34 0.00 0.00 175.55 172.15 1eio s GLU 120 N 2.42 3.70 0.01 4.97 1.03 -1.26 0.55 118.70 130.12 1eio s GLU 120 Ca 0.11 0.19 -0.00 0.00 0.03 0.00 0.00 54.97 55.30 1eio s GLU 120 Cb -0.12 -2.56 -0.01 0.00 -0.80 0.00 0.00 34.13 30.65 1eio s GLU 120 CO -0.26 0.13 -0.01 0.50 -1.33 0.00 0.00 175.26 174.29 1eio s ARG 121 N -3.60 0.15 -0.14 -4.83 3.52 -0.06 -3.96 118.95 110.03 1eio s ARG 121 Ca 0.47 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 1eio s ARG 121 Cb -0.11 0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.36 1eio s ARG 121 CO 0.30 -0.02 -0.13 0.14 -0.81 0.00 0.00 175.30 174.77 1eio s VAL 122 N -0.71 1.46 -0.23 7.11 -7.23 -0.28 -0.68 120.40 119.85 1eio s VAL 122 Ca -0.08 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.54 1eio s VAL 122 Cb -0.05 -1.39 0.05 0.00 0.56 0.00 0.00 36.38 35.55 1eio s VAL 122 CO -0.00 0.44 -0.12 -0.44 -0.31 0.00 0.00 175.10 174.67 1eio s SER 123 N 1.50 3.84 0.19 4.85 0.01 0.37 0.36 113.70 124.82 1eio s SER 123 Ca 0.04 -1.10 -0.30 0.00 1.31 0.00 0.00 55.95 55.91 1eio s SER 123 Cb -0.13 -1.40 -0.08 0.00 0.21 0.00 0.00 66.02 64.63 1eio s SER 123 CO -0.10 -0.15 0.95 -0.54 0.41 0.00 0.00 173.24 173.81 1eio s LYS 124 N 1.26 4.80 -0.21 12.44 -0.14 0.25 -0.42 119.74 137.72 1eio s LYS 124 Ca -0.04 1.47 -0.18 0.00 -1.36 0.00 0.00 55.97 55.86 1eio s LYS 124 Cb -0.18 -3.32 -0.03 0.00 -1.68 0.00 0.00 37.83 32.63 1eio s LYS 124 CO -0.07 0.40 0.52 0.21 -0.76 0.00 0.00 175.35 175.65 1eio s LYS 125 N -0.73 4.17 0.00 1.68 2.20 -1.26 -0.08 119.74 125.73 1eio s LYS 125 Ca 0.43 0.41 0.02 0.00 -0.36 0.00 0.00 55.97 56.47 1eio s LYS 125 Cb -0.25 -3.58 0.04 0.00 -1.51 0.00 0.00 37.83 32.53 1eio s LYS 125 CO 0.31 -0.19 0.78 1.47 -0.36 0.00 0.00 175.35 177.36 1eio n LEU 126 N 4.93 -0.17 0.00 5.43 -0.00 -1.26 -4.86 117.00 121.07 1eio n LEU 126 Ca -0.04 -1.36 0.00 0.00 -0.00 0.00 0.00 56.01 54.60 1eio n LEU 126 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1eio n LEU 126 CO 0.42 0.96 0.00 0.00 -0.00 0.00 0.00 177.39 178.77