#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eio n PHE 2 N 0.00 2.94 -4.00 0.00 3.72 -1.26 -4.83 117.46 114.03 1eio n PHE 2 Ca 0.00 -3.02 -0.09 0.00 -0.05 0.00 0.00 57.45 54.29 1eio n PHE 2 Cb 0.00 -2.47 -0.05 0.00 -0.94 0.00 0.00 39.48 36.02 1eio n PHE 2 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1eio s THR 3 N 2.37 0.00 0.85 4.37 -1.32 -1.26 -1.79 115.64 118.86 1eio s THR 3 Ca 0.58 -1.41 -0.14 0.00 -1.21 0.00 0.00 61.69 59.50 1eio s THR 3 Cb 0.16 -2.26 0.21 0.00 -1.51 0.00 0.00 72.50 69.09 1eio s THR 3 CO -0.07 0.00 0.84 0.61 -2.21 0.00 0.00 174.62 173.79 1eio n GLY 4 N -0.40 -2.35 3.75 6.08 0.00 0.17 -4.68 105.19 107.75 1eio n GLY 4 Ca -0.02 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1eio n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eio s LYS 5 N -4.90 1.22 0.19 1.61 1.02 -0.60 -4.94 119.74 113.35 1eio s LYS 5 Ca 0.53 0.54 0.06 0.00 0.02 0.00 0.00 55.97 57.12 1eio s LYS 5 Cb -0.04 -1.83 -0.05 0.00 -0.52 0.00 0.00 37.83 35.40 1eio s LYS 5 CO 0.39 -2.20 -0.12 0.71 -0.92 0.00 0.00 175.35 173.22 1eio s TYR 6 N -3.10 1.58 -0.04 3.18 2.02 0.13 -4.69 117.35 116.43 1eio s TYR 6 Ca 0.63 -0.66 -0.07 0.00 -0.37 0.00 0.00 57.07 56.60 1eio s TYR 6 Cb -0.16 -0.78 0.01 0.00 -0.40 0.00 0.00 41.96 40.63 1eio s TYR 6 CO 0.55 0.24 0.17 -2.00 -1.57 0.00 0.00 175.55 172.94 1eio s GLU 7 N -3.70 0.34 0.06 -0.62 -6.30 0.25 0.06 118.70 108.79 1eio s GLU 7 Ca 0.21 -0.03 -0.30 0.00 -2.50 0.00 0.00 54.97 52.35 1eio s GLU 7 Cb 0.01 0.15 -0.05 0.00 0.00 0.00 0.00 34.13 34.24 1eio s GLU 7 CO 0.05 -0.07 1.14 0.42 0.02 0.00 0.00 175.26 176.83 1eio s ILE 8 N -0.56 4.18 -0.15 -3.70 1.09 -1.22 0.66 121.20 121.49 1eio s ILE 8 Ca -0.07 1.60 -0.13 0.00 -1.10 0.00 0.00 60.65 60.95 1eio s ILE 8 Cb -0.04 -4.02 -0.24 0.00 -1.06 0.00 0.00 42.46 37.10 1eio s ILE 8 CO 0.01 0.14 0.33 -0.08 -0.10 0.00 0.00 174.94 175.24 1eio h GLU 9 N 6.59 0.17 -1.48 2.79 4.81 -0.76 -3.46 114.58 123.24 1eio h GLU 9 Ca -0.42 -0.29 0.19 0.00 -0.13 0.00 0.00 59.36 58.71 1eio h GLU 9 Cb 1.22 0.11 -0.22 0.00 0.63 0.00 0.00 28.75 30.48 1eio h GLU 9 CO 0.79 1.14 0.74 -1.12 -0.73 0.00 0.00 179.01 179.82 1eio s SER 10 N -6.98 -0.20 -0.14 1.04 0.01 -0.51 -5.01 113.70 101.91 1eio s SER 10 Ca -0.24 0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.16 1eio s SER 10 Cb 0.06 0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.50 1eio s SER 10 CO 0.70 -0.26 -0.16 -1.61 0.41 0.00 0.00 173.24 172.32 1eio s GLU 11 N -1.76 2.47 0.00 12.44 2.02 -1.26 -0.70 118.70 131.92 1eio s GLU 11 Ca 0.06 -0.64 0.19 0.00 0.02 0.00 0.00 54.97 54.59 1eio s GLU 11 Cb -0.01 -2.15 0.08 0.00 0.10 0.00 0.00 34.13 32.16 1eio s GLU 11 CO -0.04 -0.14 1.03 0.36 0.02 0.00 0.00 175.26 176.49 1eio n LYS 12 N 4.46 1.62 -0.81 1.61 -0.00 -1.03 -4.61 118.16 119.40 1eio n LYS 12 Ca -0.19 -1.31 -0.01 0.00 -0.00 0.00 0.00 58.31 56.81 1eio n LYS 12 Cb 0.51 -1.36 -0.01 0.00 -0.00 0.00 0.00 35.03 34.17 1eio n LYS 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1eio n ASN 13 N 0.57 -0.01 -0.20 -5.58 5.15 -1.26 -4.94 115.26 109.00 1eio n ASN 13 Ca 0.10 -1.71 -0.09 0.00 -0.60 0.00 0.00 54.58 52.28 1eio n ASN 13 Cb 0.44 -0.06 0.02 0.00 -0.53 0.00 0.00 39.78 39.65 1eio n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1eio h TYR 14 N 0.21 1.09 -0.22 1.20 3.20 -1.91 -2.41 116.97 118.12 1eio h TYR 14 Ca -0.17 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.46 1eio h TYR 14 Cb 1.39 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1eio h TYR 14 CO -0.06 0.98 -0.06 0.22 -1.64 0.00 0.00 178.16 177.60 1eio h ASP 15 N 0.88 0.44 -0.59 -2.11 1.82 -1.96 -1.88 116.42 113.03 1eio h ASP 15 Ca 0.16 -0.37 -0.06 0.00 -0.39 0.00 0.00 57.03 56.36 1eio h ASP 15 Cb 0.55 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.42 1eio h ASP 15 CO 0.03 0.71 0.14 -0.33 -1.61 0.00 0.00 179.24 178.18 1eio h GLU 16 N 0.17 0.98 -0.39 0.28 4.39 -1.95 -2.81 114.58 115.26 1eio h GLU 16 Ca 0.06 -0.23 -0.15 0.00 0.34 0.00 0.00 59.36 59.38 1eio h GLU 16 Cb 0.52 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1eio h GLU 16 CO 0.02 0.89 -0.34 0.35 -1.16 0.00 0.00 179.01 178.77 1eio h PHE 17 N 0.94 1.04 0.00 4.33 3.57 -1.18 -2.83 116.94 122.80 1eio h PHE 17 Ca 0.20 -0.29 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 1eio h PHE 17 Cb 0.35 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1eio h PHE 17 CO 0.02 1.09 -0.25 0.52 -2.23 0.00 0.00 178.31 177.46 1eio h MET 18 N 0.73 0.00 -0.00 1.11 2.86 -1.20 -1.02 114.93 117.41 1eio h MET 18 Ca 0.07 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 1eio h MET 18 Cb 0.91 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 1eio h MET 18 CO 0.08 0.25 -0.48 0.87 1.06 0.00 0.00 176.91 178.69 1eio h LYS 19 N 0.00 0.00 -0.09 1.72 6.56 -1.28 -0.39 116.57 123.10 1eio h LYS 19 Ca -0.00 -0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.41 1eio h LYS 19 Cb 0.64 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.30 1eio h LYS 19 CO 0.03 0.48 -0.69 0.00 -2.06 0.00 0.00 179.45 177.21 1eio h ARG 20 N 0.00 0.41 0.00 3.15 2.47 -1.00 -3.21 114.38 116.20 1eio h ARG 20 Ca -0.00 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 1eio h ARG 20 Cb 0.86 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1eio h ARG 20 CO 0.06 0.95 0.00 -0.07 0.56 0.00 0.00 179.97 181.48 1eio h LEU 21 N 0.29 0.00 -0.73 3.04 3.38 -1.07 -3.48 115.31 116.74 1eio h LEU 21 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1eio h LEU 21 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1eio h LEU 21 CO 0.12 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1eio n ALA 22 N -1.83 0.00 -2.58 1.53 0.00 -0.59 -5.09 120.51 111.95 1eio n ALA 22 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 1eio n ALA 22 Cb 0.38 -0.38 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.73 4.23 0.51 0.00 2.01 -0.26 -5.03 118.68 119.41 1eio s LEU 23 Ca 0.00 0.71 -0.09 0.00 0.01 0.00 0.00 54.13 54.75 1eio s LEU 23 Cb 0.00 -3.45 -0.05 0.00 0.01 0.00 0.00 46.19 42.71 1eio s LEU 23 CO 0.00 0.00 0.88 -2.16 1.01 0.00 0.00 176.35 176.09 1eio s PRO 24 N -2.73 3.66 -1.52 1.29 0.04 -1.26 -4.42 135.00 130.05 1eio s PRO 24 Ca 0.43 0.52 -0.11 0.00 0.04 0.00 0.00 61.00 61.88 1eio s PRO 24 Cb -0.12 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 1eio s PRO 24 CO 0.24 -0.29 2.59 0.43 0.04 0.00 0.00 177.00 180.00 1eio n SER 25 N -2.14 6.70 0.00 6.66 7.64 -1.26 -2.17 113.62 129.05 1eio n SER 25 Ca 0.03 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.17 1eio n SER 25 Cb 0.54 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 1eio n SER 25 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1eio n ASP 26 N 4.40 0.78 0.03 6.43 2.03 -1.26 -4.79 116.55 124.17 1eio n ASP 26 Ca 0.66 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.79 1eio n ASP 26 Cb 0.30 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.63 1eio n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1eio h ALA 27 N 0.00 0.27 -0.40 -1.67 0.00 -1.83 -3.10 119.26 112.53 1eio h ALA 27 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.16 1eio h ALA 27 Cb 0.36 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1eio h ALA 27 CO 0.00 0.72 -0.12 0.82 0.00 0.00 0.00 179.25 180.67 1eio h ILE 28 N 0.40 1.25 0.00 0.00 2.04 -1.83 -3.12 117.51 116.25 1eio h ILE 28 Ca -0.09 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1eio h ILE 28 Cb 1.56 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1eio h ILE 28 CO 0.18 0.39 0.00 0.44 0.00 0.00 0.00 178.15 179.15 1eio h ASP 29 N 0.64 0.00 -0.84 1.72 5.19 -1.80 0.43 116.42 121.77 1eio h ASP 29 Ca 0.11 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 56.06 1eio h ASP 29 Cb 0.57 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 39.82 1eio h ASP 29 CO 0.04 0.00 0.58 0.29 -3.12 0.00 0.00 179.24 177.03 1eio n LYS 30 N -2.59 2.10 0.00 3.56 5.02 -1.18 -4.26 118.16 120.81 1eio n LYS 30 Ca 0.02 -2.57 0.00 0.00 -2.02 0.00 0.00 58.31 53.74 1eio n LYS 30 Cb 0.29 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 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 -0.84 0.00 -1.83 7.82 0.00 0.11 -5.08 120.51 120.70 1eio n ALA 31 Ca 0.51 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.62 1eio n ALA 31 Cb 1.37 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.77 1eio n ALA 31 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1eio s ARG 32 N 0.00 4.02 -1.14 0.00 0.52 -1.04 -4.19 118.95 117.12 1eio s ARG 32 Ca 0.00 1.02 0.00 0.00 -0.52 0.00 0.00 55.73 56.23 1eio s ARG 32 Cb 0.00 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.32 1eio s ARG 32 CO 0.00 -0.21 0.00 0.09 0.02 0.00 0.00 175.30 175.20 1eio n ASN 33 N -1.27 -4.46 -4.91 0.23 3.02 -1.26 -5.00 115.26 101.61 1eio n ASN 33 Ca 0.07 0.27 -0.28 0.00 -0.03 0.00 0.00 54.58 54.60 1eio n ASN 33 Cb 0.54 -2.90 -0.03 0.00 -0.61 0.00 0.00 39.78 36.78 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 -2.45 3.98 -0.52 3.41 1.43 -1.26 -5.05 118.68 118.23 1eio s LEU 34 Ca 0.00 0.75 -0.18 0.00 -1.03 0.00 0.00 54.13 53.67 1eio s LEU 34 Cb 0.00 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.70 1eio s LEU 34 CO 0.00 -0.27 0.57 -0.54 0.23 0.00 0.00 176.35 176.34 1eio s LYS 35 N -3.80 3.06 -0.46 1.70 1.02 -1.26 -5.02 119.74 114.98 1eio s LYS 35 Ca 0.45 -1.15 -0.29 0.00 0.02 0.00 0.00 55.97 54.99 1eio s LYS 35 Cb -0.10 -4.15 0.02 0.00 -0.52 0.00 0.00 37.83 33.07 1eio s LYS 35 CO 0.32 -1.24 1.23 0.42 -0.92 0.00 0.00 175.35 175.17 1eio s ILE 36 N 2.30 4.09 0.35 2.17 -1.09 -1.26 -4.71 121.20 123.05 1eio s ILE 36 Ca 0.11 1.11 -0.25 0.00 -2.23 0.00 0.00 60.65 59.38 1eio s ILE 36 Cb -0.22 -4.48 -0.10 0.00 -1.58 0.00 0.00 42.46 36.08 1eio s ILE 36 CO 0.09 -0.94 0.97 -0.63 -1.23 0.00 0.00 174.94 173.19 1eio s ILE 37 N 4.82 4.13 0.11 2.92 1.09 -1.16 -3.41 121.20 129.70 1eio s ILE 37 Ca 0.52 1.69 0.09 0.00 -1.10 0.00 0.00 60.65 61.85 1eio s ILE 37 Cb -0.09 -3.90 -0.04 0.00 -1.06 0.00 0.00 42.46 37.37 1eio s ILE 37 CO 0.32 0.07 -0.22 -0.44 -0.10 0.00 0.00 174.94 174.57 1eio s SER 38 N -1.66 2.70 -0.25 3.58 0.01 0.11 0.46 113.70 118.65 1eio s SER 38 Ca 0.53 -0.70 -0.03 0.00 1.31 0.00 0.00 55.95 57.05 1eio s SER 38 Cb -0.18 -0.16 0.10 0.00 0.21 0.00 0.00 66.02 65.99 1eio s SER 38 CO 0.23 0.08 0.17 -1.61 0.41 0.00 0.00 173.24 172.53 1eio s GLU 39 N -1.94 0.19 0.23 12.44 0.41 0.69 0.21 118.70 130.93 1eio s GLU 39 Ca 0.08 -0.24 0.08 0.00 -0.41 0.00 0.00 54.97 54.48 1eio s GLU 39 Cb -0.10 -1.19 -0.04 0.00 -1.78 0.00 0.00 34.13 31.02 1eio s GLU 39 CO 0.05 -0.90 0.07 0.08 -0.49 0.00 0.00 175.26 174.07 1eio s VAL 40 N 2.20 3.93 -0.30 2.63 1.01 -1.26 -0.20 120.40 128.41 1eio s VAL 40 Ca 0.07 -1.55 -0.11 0.00 0.00 0.00 0.00 61.98 60.39 1eio s VAL 40 Cb -0.15 -3.07 0.13 0.00 0.00 0.00 0.00 36.38 33.29 1eio s VAL 40 CO -0.27 -0.28 0.70 -0.75 0.00 0.00 0.00 175.10 174.50 1eio s LYS 41 N -3.49 0.56 -0.04 2.72 2.36 -0.29 0.41 119.74 121.97 1eio s LYS 41 Ca 0.31 1.34 -0.25 0.00 -2.55 0.00 0.00 55.97 54.82 1eio s LYS 41 Cb -0.08 0.74 -0.04 0.00 -1.05 0.00 0.00 37.83 37.41 1eio s LYS 41 CO 0.21 -0.18 0.76 -1.14 1.55 0.00 0.00 175.35 176.55 1eio s GLN 42 N 2.70 4.47 -0.07 4.03 0.74 -0.74 0.05 119.66 130.83 1eio s GLN 42 Ca -0.06 1.00 -0.00 0.00 0.05 0.00 0.00 55.36 56.35 1eio s GLN 42 Cb -0.10 -3.44 -0.26 0.00 1.10 0.00 0.00 33.01 30.31 1eio s GLN 42 CO -0.19 0.07 0.55 -0.44 -0.55 0.00 0.00 175.29 174.73 1eio h ASP 43 N 6.63 0.29 0.00 6.67 3.32 -0.68 -3.48 116.42 129.18 1eio h ASP 43 Ca -0.41 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.04 1eio h ASP 43 Cb 1.20 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1eio h ASP 43 CO 0.75 1.53 0.00 0.61 -1.72 0.00 0.00 179.24 180.40 1eio n GLY 44 N 1.80 -1.83 0.24 2.75 0.00 -1.26 -4.81 105.19 102.08 1eio n GLY 44 Ca -0.24 0.76 0.12 0.00 0.00 0.00 0.00 46.02 46.65 1eio n GLY 44 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1eio n GLN 45 N 0.00 0.67 -3.72 1.61 7.27 -1.26 -4.88 117.38 117.06 1eio n GLN 45 Ca 0.00 -0.48 -0.25 0.00 0.07 0.00 0.00 57.00 56.34 1eio n GLN 45 Cb 0.00 -1.49 -0.02 0.00 2.41 0.00 0.00 30.24 31.14 1eio n GLN 45 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1eio s ASN 46 N -2.66 6.34 0.01 1.69 2.47 -1.26 -0.79 114.94 120.74 1eio s ASN 46 Ca 0.18 0.30 0.00 0.00 0.42 0.00 0.00 52.86 53.76 1eio s ASN 46 Cb 0.18 -1.97 -0.01 0.00 -1.45 0.00 0.00 41.25 38.00 1eio s ASN 46 CO 0.63 -0.09 -0.03 -0.36 -3.72 0.00 0.00 177.10 173.52 1eio s PHE 47 N -1.98 0.25 -0.01 0.43 0.40 0.11 0.12 117.98 117.30 1eio s PHE 47 Ca 0.37 -0.31 0.05 0.00 -0.60 0.00 0.00 56.93 56.44 1eio s PHE 47 Cb -0.10 -0.17 -0.03 0.00 0.51 0.00 0.00 43.02 43.23 1eio s PHE 47 CO 0.30 -0.10 -0.16 0.99 0.70 0.00 0.00 175.22 176.95 1eio s THR 48 N -0.85 2.89 -0.15 0.64 2.01 0.11 -0.92 115.64 119.37 1eio s THR 48 Ca -0.08 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 60.90 1eio s THR 48 Cb -0.06 -2.16 0.05 0.00 0.01 0.00 0.00 72.50 70.35 1eio s THR 48 CO -0.00 0.49 0.35 0.86 -0.69 0.00 0.00 174.62 175.62 1eio s TRP 49 N -0.80 -0.50 0.04 4.92 -0.11 0.10 -1.14 118.94 121.45 1eio s TRP 49 Ca 0.13 1.09 -0.12 0.00 1.22 0.00 0.00 56.10 58.43 1eio s TRP 49 Cb -0.11 0.18 0.01 0.00 -1.50 0.00 0.00 33.47 32.06 1eio s TRP 49 CO 0.02 -0.30 0.25 -1.12 -4.62 0.00 0.00 176.95 171.18 1eio s SER 50 N 1.28 -0.05 0.02 5.86 0.01 0.72 -0.20 113.70 121.34 1eio s SER 50 Ca -0.09 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 56.92 1eio s SER 50 Cb -0.09 0.32 -0.02 0.00 0.21 0.00 0.00 66.02 66.44 1eio s SER 50 CO -0.11 -0.57 -0.04 -1.10 0.41 0.00 0.00 173.24 171.84 1eio s GLN 51 N -2.43 0.35 -0.18 12.44 -0.21 -0.01 -0.22 119.66 129.40 1eio s GLN 51 Ca -0.06 -0.61 -0.06 0.00 0.02 0.00 0.00 55.36 54.65 1eio s GLN 51 Cb -0.01 0.01 -0.04 0.00 1.00 0.00 0.00 33.01 33.97 1eio s GLN 51 CO -0.03 -0.02 0.03 -0.65 -2.12 0.00 0.00 175.29 172.50 1eio s GLN 52 N -1.40 3.88 -0.19 2.91 -1.52 0.17 0.28 119.66 123.79 1eio s GLN 52 Ca -0.14 -0.40 -0.09 0.00 -1.95 0.00 0.00 55.36 52.78 1eio s GLN 52 Cb -0.09 -3.13 -0.05 0.00 -0.22 0.00 0.00 33.01 29.52 1eio s GLN 52 CO -0.01 0.25 0.11 -0.47 -0.25 0.00 0.00 175.29 174.93 1eio s TYR 53 N 0.39 3.38 -1.00 0.91 6.14 -1.26 -3.00 117.35 122.92 1eio s TYR 53 Ca 0.01 0.28 -0.23 0.00 0.64 0.00 0.00 57.07 57.76 1eio s TYR 53 Cb -0.13 -2.13 0.02 0.00 0.42 0.00 0.00 41.96 40.14 1eio s TYR 53 CO 0.01 0.28 1.61 -1.25 0.64 0.00 0.00 175.55 176.84 1eio s PRO 54 N 0.29 3.28 0.00 4.97 0.04 -1.26 -3.05 135.00 139.26 1eio s PRO 54 Ca 0.07 -0.90 0.00 0.00 0.04 0.00 0.00 61.00 60.21 1eio s PRO 54 Cb -0.11 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.15 1eio s PRO 54 CO -0.01 -2.59 0.00 0.41 0.04 0.00 0.00 177.00 174.85 1eio n GLY 55 N 6.82 0.37 1.32 0.56 0.00 -1.26 -5.00 105.19 108.00 1eio n GLY 55 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.87 2.54 -0.02 0.00 -1.17 -4.97 105.19 102.45 1eio n GLY 56 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 1eio n GLY 56 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1eio n HIS 57 N -2.62 0.64 -2.27 1.61 8.25 -1.26 -5.08 115.22 114.49 1eio n HIS 57 Ca 0.00 -2.99 -0.37 0.00 -0.26 0.00 0.00 57.72 54.09 1eio n HIS 57 Cb 0.37 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1eio n HIS 57 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1eio s SER 58 N -2.81 6.27 0.13 0.41 1.04 -1.26 -3.99 113.70 113.50 1eio s SER 58 Ca 0.30 2.32 -0.04 0.00 0.48 0.00 0.00 55.95 59.00 1eio s SER 58 Cb 0.43 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.89 1eio s SER 58 CO 0.00 -0.85 0.35 -0.63 0.98 0.00 0.00 173.24 173.10 1eio s ILE 59 N -1.51 5.19 -0.14 -1.02 -1.09 0.14 -4.94 121.20 117.84 1eio s ILE 59 Ca 0.62 -0.01 -0.22 0.00 -2.23 0.00 0.00 60.65 58.81 1eio s ILE 59 Cb -0.29 -3.62 0.05 0.00 -1.58 0.00 0.00 42.46 37.02 1eio s ILE 59 CO 0.36 0.06 0.55 -0.89 -1.23 0.00 0.00 174.94 173.78 1eio s THR 60 N -1.63 0.01 -0.19 2.92 2.01 -1.26 -0.83 115.64 116.67 1eio s THR 60 Ca 0.40 -0.08 -0.26 0.00 0.31 0.00 0.00 61.69 62.06 1eio s THR 60 Cb -0.12 -0.81 0.07 0.00 0.01 0.00 0.00 72.50 71.65 1eio s THR 60 CO 0.25 -0.05 0.69 0.20 -0.69 0.00 0.00 174.62 175.02 1eio s ASN 61 N -0.35 -0.70 0.01 3.53 0.01 0.72 -4.98 114.94 113.18 1eio s ASN 61 Ca -0.05 1.17 0.06 0.00 -0.71 0.00 0.00 52.86 53.33 1eio s ASN 61 Cb -0.03 1.13 -0.03 0.00 0.41 0.00 0.00 41.25 42.73 1eio s ASN 61 CO 0.04 -0.36 -0.19 -0.89 -1.51 0.00 0.00 177.10 174.19 1eio s THR 62 N -0.15 2.73 0.06 1.60 2.01 -1.26 -0.72 115.64 119.91 1eio s THR 62 Ca -0.04 -1.08 -0.23 0.00 0.31 0.00 0.00 61.69 60.65 1eio s THR 62 Cb -0.03 -2.11 0.06 0.00 0.01 0.00 0.00 72.50 70.43 1eio s THR 62 CO 0.04 0.43 0.56 0.72 -0.69 0.00 0.00 174.62 175.68 1eio s PHE 63 N -0.84 -0.48 -0.05 4.92 -0.12 -0.10 -5.02 117.98 116.29 1eio s PHE 63 Ca 0.13 0.51 0.00 0.00 -0.05 0.00 0.00 56.93 57.52 1eio s PHE 63 Cb -0.10 0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 42.66 1eio s PHE 63 CO 0.03 -0.69 -0.03 0.99 -0.05 0.00 0.00 175.22 175.46 1eio s THR 64 N -2.65 3.96 0.23 -4.49 2.01 -1.26 0.05 115.64 113.49 1eio s THR 64 Ca -0.04 -0.46 -0.25 0.00 0.31 0.00 0.00 61.69 61.25 1eio s THR 64 Cb -0.00 -2.67 -0.09 0.00 0.01 0.00 0.00 72.50 69.75 1eio s THR 64 CO -0.03 0.54 0.82 -0.63 -0.69 0.00 0.00 174.62 174.63 1eio s ILE 65 N -0.90 4.34 0.00 1.82 -1.09 0.03 -4.34 121.20 121.07 1eio s ILE 65 Ca 0.14 1.67 0.00 0.00 -2.23 0.00 0.00 60.65 60.24 1eio s ILE 65 Cb -0.11 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 1eio s ILE 65 CO 0.04 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.70 1eio n GLY 66 N 1.10 0.88 0.00 6.18 0.00 0.18 -4.94 105.19 108.60 1eio n GLY 66 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1eio n GLY 66 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1eio n LYS 67 N -2.05 0.00 -1.63 1.61 2.85 -0.93 -5.03 118.16 112.98 1eio n LYS 67 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 1eio n LYS 67 Cb 0.06 0.00 0.12 0.00 -0.65 0.00 0.00 35.03 34.56 1eio n LYS 67 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1eio s GLU 68 N 0.80 1.49 0.19 -1.58 4.04 -1.26 -0.79 118.70 121.59 1eio s GLU 68 Ca 0.00 0.30 -0.11 0.00 0.04 0.00 0.00 54.97 55.21 1eio s GLU 68 Cb 0.00 -1.88 -0.00 0.00 0.02 0.00 0.00 34.13 32.27 1eio s GLU 68 CO 0.00 -1.96 0.35 0.00 -1.84 0.00 0.00 175.26 171.81 1eio s ASP 70 N -2.97 7.04 -0.02 0.00 1.11 -1.26 -0.14 116.67 120.43 1eio s ASP 70 Ca 0.18 1.23 -0.05 0.00 0.18 0.00 0.00 52.55 54.10 1eio s ASP 70 Cb 0.02 -2.38 0.00 0.00 1.07 0.00 0.00 42.92 41.64 1eio s ASP 70 CO 0.02 0.15 0.10 -0.63 1.18 0.00 0.00 175.17 175.99 1eio s ILE 71 N -0.49 0.05 -0.11 0.77 -1.09 0.42 -4.94 121.20 115.82 1eio s ILE 71 Ca 0.31 -0.39 -0.30 0.00 -2.23 0.00 0.00 60.65 58.04 1eio s ILE 71 Cb -0.19 -0.28 0.12 0.00 -1.58 0.00 0.00 42.46 40.53 1eio s ILE 71 CO 0.19 -0.22 0.99 -0.70 -1.23 0.00 0.00 174.94 173.96 1eio s GLU 72 N -0.71 0.64 0.00 2.79 2.56 -1.26 -1.83 118.70 120.89 1eio s GLU 72 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.97 54.85 1eio s GLU 72 Cb -0.05 0.30 0.00 0.00 2.00 0.00 0.00 34.13 36.38 1eio s GLU 72 CO 0.01 -0.24 0.23 -2.37 -0.56 0.00 0.00 175.26 172.32 1eio n THR 73 N 0.29 0.00 -2.72 -1.70 5.66 -1.26 -5.04 114.28 109.51 1eio n THR 73 Ca -0.08 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.78 1eio n THR 73 Cb 0.59 0.07 0.02 0.00 -1.55 0.00 0.00 70.33 69.46 1eio n THR 73 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1eio n ILE 74 N 0.00 1.09 0.00 1.09 2.08 -1.26 -5.00 119.36 117.36 1eio n ILE 74 Ca -0.04 -3.61 0.00 0.00 0.56 0.00 0.00 62.75 59.66 1eio n ILE 74 Cb 0.26 0.20 0.00 0.00 -0.75 0.00 0.00 39.64 39.35 1eio n ILE 74 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1eio n GLY 75 N -0.08 0.59 1.56 7.39 0.00 -1.26 -4.58 105.19 108.81 1eio n GLY 75 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.76 2.57 -0.02 0.00 -1.26 -4.97 105.19 102.27 1eio n GLY 76 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1eio n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1eio n LYS 77 N -2.24 4.29 -2.49 1.61 4.01 -1.26 -4.87 118.16 117.21 1eio n LYS 77 Ca 0.00 -3.41 -0.43 0.00 -0.51 0.00 0.00 58.31 53.96 1eio n LYS 77 Cb 0.00 -2.72 0.00 0.00 -0.51 0.00 0.00 35.03 31.80 1eio n LYS 77 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1eio n LYS 78 N 2.39 3.24 -2.62 1.97 0.00 -1.26 -4.58 118.16 117.29 1eio n LYS 78 Ca 0.57 -3.34 -0.35 0.00 0.00 0.00 0.00 58.31 55.19 1eio n LYS 78 Cb 0.28 -3.26 -0.05 0.00 0.00 0.00 0.00 35.03 32.00 1eio n LYS 78 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1eio s PHE 79 N 2.79 3.24 -0.07 5.64 0.08 -0.76 -4.87 117.98 124.02 1eio s PHE 79 Ca 0.48 1.63 -0.24 0.00 0.12 0.00 0.00 56.93 58.92 1eio s PHE 79 Cb 0.05 -3.03 -0.03 0.00 -0.57 0.00 0.00 43.02 39.43 1eio s PHE 79 CO 0.02 -0.50 0.72 0.21 -0.10 0.00 0.00 175.22 175.56 1eio s LYS 80 N -2.81 4.43 0.16 0.44 2.20 -1.26 -0.44 119.74 122.47 1eio s LYS 80 Ca 0.61 0.91 0.06 0.00 -0.36 0.00 0.00 55.97 57.19 1eio s LYS 80 Cb -0.17 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1eio s LYS 80 CO 0.22 0.03 -0.13 0.00 -0.36 0.00 0.00 175.35 175.11 1eio s ALA 81 N 0.91 1.71 0.20 3.13 0.00 0.81 -4.96 121.76 123.55 1eio s ALA 81 Ca 0.38 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.69 1eio s ALA 81 Cb -0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.82 1eio s ALA 81 CO 0.18 0.04 0.63 0.99 0.00 0.00 0.00 175.76 177.60 1eio s THR 82 N -2.79 4.75 -0.14 0.00 2.01 0.15 -0.56 115.64 119.06 1eio s THR 82 Ca 0.17 0.96 -0.07 0.00 0.31 0.00 0.00 61.69 63.05 1eio s THR 82 Cb -0.01 -3.75 0.05 0.00 0.01 0.00 0.00 72.50 68.80 1eio s THR 82 CO 0.04 0.14 0.34 0.54 -0.69 0.00 0.00 174.62 174.99 1eio s VAL 83 N -1.59 -0.04 0.13 3.82 0.11 0.03 -0.30 120.40 122.57 1eio s VAL 83 Ca 0.43 0.12 -0.25 0.00 -2.93 0.00 0.00 61.98 59.35 1eio s VAL 83 Cb -0.14 -0.51 0.07 0.00 -1.53 0.00 0.00 36.38 34.27 1eio s VAL 83 CO 0.20 0.05 0.79 -1.58 -3.33 0.00 0.00 175.10 171.22 1eio s GLN 84 N 1.36 1.22 -0.54 1.54 2.00 -0.12 -0.65 119.66 124.47 1eio s GLN 84 Ca -0.09 -0.56 -0.05 0.00 -2.00 0.00 0.00 55.36 52.66 1eio s GLN 84 Cb -0.09 0.49 0.14 0.00 0.80 0.00 0.00 33.01 34.35 1eio s GLN 84 CO -0.11 -0.55 0.37 1.41 -0.50 0.00 0.00 175.29 175.92 1eio s MET 85 N -3.49 2.44 -0.48 1.67 1.75 -1.26 0.05 119.30 119.98 1eio s MET 85 Ca 0.06 -2.16 -0.07 0.00 -1.25 0.00 0.00 55.69 52.28 1eio s MET 85 Cb -0.02 -3.77 -0.21 0.00 2.84 0.00 0.00 34.83 33.67 1eio s MET 85 CO -0.05 -1.15 3.38 0.39 -0.65 0.00 0.00 175.02 176.94 1eio n GLU 86 N 4.14 2.47 -1.79 4.11 1.02 0.19 -4.73 120.64 126.04 1eio n GLU 86 Ca 0.02 -1.34 -0.00 0.00 -0.02 0.00 0.00 57.16 55.82 1eio n GLU 86 Cb 0.40 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1eio n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1eio n GLY 87 N 2.83 0.64 0.10 0.62 0.00 -1.26 -3.75 105.19 104.38 1eio n GLY 87 Ca 0.53 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1eio n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eio n GLY 88 N -1.23 0.25 3.30 -0.02 0.00 -1.26 -5.07 105.19 101.16 1eio n GLY 88 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1eio n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eio s LYS 89 N -0.97 2.59 0.55 1.61 1.02 -1.25 -4.13 119.74 119.17 1eio s LYS 89 Ca 0.00 -0.87 -0.14 0.00 0.02 0.00 0.00 55.97 54.98 1eio s LYS 89 Cb 0.00 -2.21 -0.06 0.00 -0.52 0.00 0.00 37.83 35.04 1eio s LYS 89 CO 0.00 0.40 1.00 0.08 -0.92 0.00 0.00 175.35 175.91 1eio s VAL 90 N -0.20 4.60 -0.13 3.17 1.01 0.22 0.54 120.40 129.62 1eio s VAL 90 Ca -0.02 1.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.84 1eio s VAL 90 Cb -0.13 -3.78 0.05 0.00 0.00 0.00 0.00 36.38 32.51 1eio s VAL 90 CO 0.03 -0.87 0.50 0.54 0.00 0.00 0.00 175.10 175.31 1eio s VAL 91 N -2.84 0.01 -0.08 2.92 0.11 0.11 0.42 120.40 121.05 1eio s VAL 91 Ca 0.57 -0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.53 1eio s VAL 91 Cb -0.10 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 1eio s VAL 91 CO 0.40 -0.06 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.34 1eio s VAL 92 N -0.34 3.51 0.02 2.04 1.01 0.01 -0.94 120.40 125.71 1eio s VAL 92 Ca -0.05 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1eio s VAL 92 Cb -0.03 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1eio s VAL 92 CO 0.03 0.58 -0.11 0.20 0.00 0.00 0.00 175.10 175.80 1eio s ASN 93 N -0.55 1.30 0.26 3.32 0.01 0.60 -0.69 114.94 119.18 1eio s ASN 93 Ca 0.08 -0.34 -0.17 0.00 -0.71 0.00 0.00 52.86 51.72 1eio s ASN 93 Cb -0.12 -0.09 0.01 0.00 0.41 0.00 0.00 41.25 41.46 1eio s ASN 93 CO 0.02 0.04 0.61 -0.55 -1.51 0.00 0.00 177.10 175.70 1eio s SER 94 N -0.78 -0.19 0.55 -1.22 0.15 0.56 -0.67 113.70 112.10 1eio s SER 94 Ca 0.01 -0.74 0.22 0.00 0.70 0.00 0.00 55.95 56.14 1eio s SER 94 Cb -0.06 0.66 1.52 0.00 -1.71 0.00 0.00 66.02 66.43 1eio s SER 94 CO 0.00 -1.25 2.20 -0.65 1.20 0.00 0.00 173.24 174.74 1eio h PRO 95 N 2.12 0.00 -0.45 5.44 0.11 -2.02 -1.36 132.00 135.84 1eio h PRO 95 Ca -0.22 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.63 1eio h PRO 95 Cb 1.25 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.96 1eio h PRO 95 CO 0.29 0.00 -1.11 0.27 -0.21 0.00 0.00 178.00 177.24 1eio n ASN 96 N -4.23 1.70 -3.22 -2.05 0.23 -1.26 -5.03 115.26 101.40 1eio n ASN 96 Ca -0.03 -2.10 -0.02 0.00 -0.53 0.00 0.00 54.58 51.90 1eio n ASN 96 Cb 0.09 -0.48 -0.02 0.00 -2.08 0.00 0.00 39.78 37.29 1eio n ASN 96 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1eio s TYR 97 N -3.79 -1.47 -0.01 -2.53 6.14 -0.51 -2.84 117.35 112.35 1eio s TYR 97 Ca 0.28 0.50 -0.02 0.00 0.64 0.00 0.00 57.07 58.47 1eio s TYR 97 Cb 0.33 0.13 -0.04 0.00 0.42 0.00 0.00 41.96 42.79 1eio s TYR 97 CO -0.04 -1.07 0.15 -1.58 0.64 0.00 0.00 175.55 173.65 1eio s HIS 98 N 2.38 3.46 -0.39 4.97 5.65 -0.32 -0.32 115.29 130.72 1eio s HIS 98 Ca 0.12 0.31 0.06 0.00 0.25 0.00 0.00 55.06 55.79 1eio s HIS 98 Cb -0.10 -1.80 0.17 0.00 -1.18 0.00 0.00 32.58 29.68 1eio s HIS 98 CO -0.20 0.62 0.52 -1.58 -0.65 0.00 0.00 174.74 173.44 1eio s HIS 99 N -1.28 -1.12 0.48 3.88 5.04 0.13 -0.36 115.29 122.06 1eio s HIS 99 Ca 0.26 -0.17 -0.06 0.00 -1.54 0.00 0.00 55.06 53.55 1eio s HIS 99 Cb -0.12 0.00 -0.04 0.00 0.04 0.00 0.00 32.58 32.46 1eio s HIS 99 CO 0.17 -1.08 0.80 0.95 -2.34 0.00 0.00 174.74 173.24 1eio s THR 100 N 1.72 4.88 -0.09 0.89 -4.23 0.27 -0.81 115.64 118.27 1eio s THR 100 Ca 0.16 0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 60.93 1eio s THR 100 Cb -0.09 -3.85 0.04 0.00 1.34 0.00 0.00 72.50 69.94 1eio s THR 100 CO -0.07 -0.83 0.19 0.00 -0.54 0.00 0.00 174.62 173.38 1eio s ALA 101 N -2.72 -0.40 0.02 3.99 0.00 0.17 -1.28 121.76 121.53 1eio s ALA 101 Ca 0.48 0.83 -0.27 0.00 0.00 0.00 0.00 51.96 53.01 1eio s ALA 101 Cb -0.10 -0.56 0.06 0.00 0.00 0.00 0.00 23.12 22.52 1eio s ALA 101 CO 0.44 -0.20 0.61 -1.83 0.00 0.00 0.00 175.76 174.78 1eio s GLU 102 N 1.27 1.08 -0.10 0.00 -1.05 0.11 0.71 118.70 120.72 1eio s GLU 102 Ca -0.09 -0.02 -0.01 0.00 -0.15 0.00 0.00 54.97 54.70 1eio s GLU 102 Cb -0.11 0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 34.05 1eio s GLU 102 CO -0.07 -0.38 -0.03 0.42 0.95 0.00 0.00 175.26 176.15 1eio s ILE 103 N -2.00 4.05 0.00 1.83 -1.09 -1.26 0.72 121.20 123.46 1eio s ILE 103 Ca -0.07 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 1eio s ILE 103 Cb -0.01 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 38.17 1eio s ILE 103 CO 0.02 0.58 0.00 0.52 -1.23 0.00 0.00 174.94 174.83 1eio n VAL 104 N 2.47 0.00 -0.50 2.92 0.31 -0.32 -4.93 118.33 118.28 1eio n VAL 104 Ca -0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.14 1eio n VAL 104 Cb 0.53 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.45 1eio n VAL 104 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1eio n ASP 105 N 0.00 4.96 -0.69 4.52 5.75 -1.26 -4.37 116.55 125.45 1eio n ASP 105 Ca 0.00 -2.32 -0.09 0.00 -0.01 0.00 0.00 54.79 52.37 1eio n ASP 105 Cb 0.00 -1.07 -0.04 0.00 -1.03 0.00 0.00 41.12 38.98 1eio n ASP 105 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1eio n GLY 106 N 1.61 1.02 3.76 6.12 0.00 -1.26 -4.98 105.19 111.46 1eio n GLY 106 Ca 0.03 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1eio n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eio s LYS 107 N -2.53 4.58 -0.53 1.61 1.02 -1.26 -2.38 119.74 120.25 1eio s LYS 107 Ca 0.00 1.78 -0.17 0.00 0.02 0.00 0.00 55.97 57.60 1eio s LYS 107 Cb 0.00 -3.12 0.09 0.00 -0.52 0.00 0.00 37.83 34.28 1eio s LYS 107 CO 0.00 0.16 0.56 -1.17 -0.92 0.00 0.00 175.35 173.99 1eio s LEU 108 N -1.58 5.51 0.41 3.17 1.98 0.50 -1.17 118.68 127.49 1eio s LEU 108 Ca 0.46 -1.35 -0.17 0.00 -2.89 0.00 0.00 54.13 50.18 1eio s LEU 108 Cb -0.31 -2.29 -0.09 0.00 0.66 0.00 0.00 46.19 44.16 1eio s LEU 108 CO 0.40 -0.89 0.87 -0.69 -1.89 0.00 0.00 176.35 174.15 1eio s VAL 109 N 2.18 4.56 -0.08 1.68 1.01 0.22 -0.34 120.40 129.64 1eio s VAL 109 Ca 0.09 1.15 -0.10 0.00 0.00 0.00 0.00 61.98 63.12 1eio s VAL 109 Cb -0.24 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1eio s VAL 109 CO 0.07 -0.38 0.26 -0.70 0.00 0.00 0.00 175.10 174.35 1eio s GLU 110 N -3.39 0.37 -0.24 2.72 2.12 0.13 0.04 118.70 120.45 1eio s GLU 110 Ca 0.58 0.24 -0.04 0.00 0.36 0.00 0.00 54.97 56.11 1eio s GLU 110 Cb -0.10 0.17 0.09 0.00 0.26 0.00 0.00 34.13 34.55 1eio s GLU 110 CO 0.20 -0.06 0.12 0.08 -0.54 0.00 0.00 175.26 175.06 1eio s VAL 111 N -0.16 -0.09 0.51 3.70 1.01 -0.40 -0.06 120.40 124.91 1eio s VAL 111 Ca -0.03 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 1eio s VAL 111 Cb -0.03 -0.82 -0.08 0.00 0.00 0.00 0.00 36.38 35.46 1eio s VAL 111 CO 0.01 -0.54 0.99 -0.55 0.00 0.00 0.00 175.10 175.01 1eio s SER 112 N 2.13 6.56 -0.27 3.32 0.15 0.97 -0.57 113.70 125.99 1eio s SER 112 Ca 0.06 1.61 -0.01 0.00 0.70 0.00 0.00 55.95 58.32 1eio s SER 112 Cb -0.16 -2.52 0.15 0.00 -1.71 0.00 0.00 66.02 61.79 1eio s SER 112 CO -0.26 -0.63 0.44 -0.89 1.20 0.00 0.00 173.24 173.11 1eio s THR 113 N -2.55 -0.72 0.41 6.45 2.01 0.51 -0.65 115.64 121.11 1eio s THR 113 Ca 0.60 -0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.47 1eio s THR 113 Cb -0.11 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1eio s THR 113 CO 0.30 -0.12 0.68 -0.69 -0.69 0.00 0.00 174.62 174.09 1eio s VAL 114 N 2.63 4.99 -0.85 3.82 1.01 -0.29 -1.18 120.40 130.52 1eio s VAL 114 Ca 0.14 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 1eio s VAL 114 Cb -0.14 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1eio s VAL 114 CO -0.20 -0.67 1.93 -0.83 0.00 0.00 0.00 175.10 175.32 1eio s GLY 115 N -3.93 0.19 0.00 4.51 0.00 -1.13 -2.26 107.32 104.70 1eio s GLY 115 Ca 0.45 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1eio s GLY 115 CO 0.39 3.47 0.00 0.61 0.00 0.00 0.00 173.10 177.57 1eio n GLY 116 N 6.66 1.34 3.59 0.20 0.00 -1.26 -5.13 105.19 110.59 1eio n GLY 116 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 1eio n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eio s VAL 117 N -1.91 0.00 0.50 1.61 0.11 -0.96 -5.09 120.40 114.66 1eio s VAL 117 Ca 0.00 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 1eio s VAL 117 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1eio s VAL 117 CO 0.00 0.00 0.79 -0.94 -3.33 0.00 0.00 175.10 171.62 1eio s SER 118 N -0.94 6.04 -0.42 3.54 1.04 -1.26 -1.14 113.70 120.56 1eio s SER 118 Ca -0.01 0.78 0.05 0.00 0.48 0.00 0.00 55.95 57.26 1eio s SER 118 Cb -0.01 -2.02 0.17 0.00 0.10 0.00 0.00 66.02 64.26 1eio s SER 118 CO 0.00 -0.70 0.52 -0.47 0.98 0.00 0.00 173.24 173.56 1eio s TYR 119 N -2.77 -0.77 0.28 5.02 5.04 0.18 -4.83 117.35 119.50 1eio s TYR 119 Ca 0.49 -0.71 -0.16 0.00 -2.44 0.00 0.00 57.07 54.24 1eio s TYR 119 Cb -0.10 -0.13 -0.09 0.00 0.35 0.00 0.00 41.96 41.99 1eio s TYR 119 CO 0.44 -1.07 0.72 -1.21 -1.34 0.00 0.00 175.55 173.08 1eio s GLU 120 N 1.21 4.08 -0.18 4.97 8.01 -1.26 -0.02 118.70 135.51 1eio s GLU 120 Ca 0.22 0.72 -0.11 0.00 0.01 0.00 0.00 54.97 55.81 1eio s GLU 120 Cb -0.06 -2.62 0.06 0.00 -4.31 0.00 0.00 34.13 27.19 1eio s GLU 120 CO -0.06 0.26 0.44 0.50 0.01 0.00 0.00 175.26 176.40 1eio s ARG 121 N -2.57 0.44 -0.20 1.61 3.52 0.91 -2.46 118.95 120.20 1eio s ARG 121 Ca 0.49 0.78 0.01 0.00 -0.13 0.00 0.00 55.73 56.88 1eio s ARG 121 Cb -0.13 0.05 0.03 0.00 -1.56 0.00 0.00 34.95 33.34 1eio s ARG 121 CO 0.19 -0.14 -0.17 0.14 -0.81 0.00 0.00 175.30 174.51 1eio s VAL 122 N 1.16 2.06 0.20 7.11 -7.23 0.13 0.19 120.40 124.01 1eio s VAL 122 Ca -0.07 -1.09 0.07 0.00 -1.81 0.00 0.00 61.98 59.08 1eio s VAL 122 Cb -0.07 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1eio s VAL 122 CO -0.10 0.40 0.04 -0.44 -0.31 0.00 0.00 175.10 174.68 1eio s SER 123 N 1.26 4.89 0.10 4.85 0.01 0.54 -0.04 113.70 125.31 1eio s SER 123 Ca 0.02 -0.40 0.05 0.00 1.31 0.00 0.00 55.95 56.93 1eio s SER 123 Cb -0.15 -1.07 -0.03 0.00 0.21 0.00 0.00 66.02 64.98 1eio s SER 123 CO -0.11 0.06 -0.12 -0.75 0.41 0.00 0.00 173.24 172.72 1eio s LYS 124 N -3.20 0.88 -1.38 12.44 2.36 0.21 -0.37 119.74 130.68 1eio s LYS 124 Ca 0.29 -1.11 -0.12 0.00 -2.55 0.00 0.00 55.97 52.48 1eio s LYS 124 Cb -0.09 -0.72 0.10 0.00 -1.05 0.00 0.00 37.83 36.07 1eio s LYS 124 CO 0.20 0.14 2.07 1.17 1.55 0.00 0.00 175.35 180.48 1eio n LYS 125 N 0.78 3.20 -2.27 4.03 4.81 -1.00 -0.58 118.16 127.12 1eio n LYS 125 Ca -0.17 -3.01 -0.43 0.00 -0.87 0.00 0.00 58.31 53.82 1eio n LYS 125 Cb 0.56 -3.13 0.00 0.00 0.02 0.00 0.00 35.03 32.49 1eio n LYS 125 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1eio n LEU 126 N 5.10 6.16 0.00 3.14 4.77 -1.26 -5.02 117.00 129.89 1eio n LEU 126 Ca 0.47 -4.30 0.00 0.00 -0.03 0.00 0.00 56.01 52.15 1eio n LEU 126 Cb 0.38 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 1eio n LEU 126 CO 0.86 0.94 0.00 0.00 -1.33 0.00 0.00 177.39 177.86