#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 -4.33 0.00 -1.00 -2.01 -3.47 116.94 106.14 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 0.20 0.36 -0.08 -1.61 0.00 0.00 178.31 177.18 1eio s THR 3 N -3.25 3.84 0.00 -1.55 -1.32 -1.26 -4.70 115.64 107.41 1eio s THR 3 Ca 0.04 0.60 0.00 0.00 -1.21 0.00 0.00 61.69 61.12 1eio s THR 3 Cb 0.07 -3.33 0.00 0.00 -1.51 0.00 0.00 72.50 67.73 1eio s THR 3 CO 0.68 -0.78 0.00 0.61 -2.21 0.00 0.00 174.62 172.91 1eio n GLY 4 N -1.96 1.47 3.55 6.08 0.00 -0.62 -4.94 105.19 108.77 1eio n GLY 4 Ca 0.08 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.25 3.64 0.10 1.61 2.20 -0.18 -1.08 119.74 124.78 1eio s LYS 5 Ca 0.00 -0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 55.08 1eio s LYS 5 Cb 0.00 -3.76 -0.05 0.00 -1.51 0.00 0.00 37.83 32.51 1eio s LYS 5 CO 0.00 -0.38 0.28 0.71 -0.36 0.00 0.00 175.35 175.60 1eio s TYR 6 N 1.78 3.50 0.14 4.03 1.51 0.26 -2.62 117.35 125.95 1eio s TYR 6 Ca 0.07 0.38 0.05 0.00 -1.01 0.00 0.00 57.07 56.57 1eio s TYR 6 Cb -0.17 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 1eio s TYR 6 CO 0.11 0.52 0.06 -2.00 -1.11 0.00 0.00 175.55 173.13 1eio s GLU 7 N -2.60 2.69 0.04 -0.62 2.12 -0.07 -0.13 118.70 120.13 1eio s GLU 7 Ca 0.38 -0.89 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 1eio s GLU 7 Cb -0.13 -2.56 -0.05 0.00 0.26 0.00 0.00 34.13 31.66 1eio s GLU 7 CO 0.27 0.50 1.09 0.42 -0.54 0.00 0.00 175.26 177.00 1eio s ILE 8 N -1.58 4.40 -0.13 -3.70 1.09 0.15 0.33 121.20 121.76 1eio s ILE 8 Ca 0.29 1.74 -0.25 0.00 -1.10 0.00 0.00 60.65 61.33 1eio s ILE 8 Cb -0.11 -4.12 -0.26 0.00 -1.06 0.00 0.00 42.46 36.92 1eio s ILE 8 CO 0.21 0.15 0.68 -0.08 -0.10 0.00 0.00 174.94 175.79 1eio h GLU 9 N 6.68 0.08 -1.66 2.79 4.81 -0.36 -3.43 114.58 123.48 1eio h GLU 9 Ca -0.42 -0.14 0.14 0.00 -0.13 0.00 0.00 59.36 58.81 1eio h GLU 9 Cb 1.22 0.05 -0.21 0.00 0.63 0.00 0.00 28.75 30.44 1eio h GLU 9 CO 0.78 1.07 0.63 -1.12 -0.73 0.00 0.00 179.01 179.63 1eio s SER 10 N -6.55 -0.29 0.15 1.04 0.01 -0.64 -5.01 113.70 102.40 1eio s SER 10 Ca -0.20 0.20 0.09 0.00 1.31 0.00 0.00 55.95 57.35 1eio s SER 10 Cb -0.00 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.45 1eio s SER 10 CO 0.71 -0.35 -0.20 -1.61 0.41 0.00 0.00 173.24 172.19 1eio s GLU 11 N -1.81 1.26 -0.26 12.44 2.02 -1.26 -0.45 118.70 130.63 1eio s GLU 11 Ca 0.03 -1.34 -0.12 0.00 0.02 0.00 0.00 54.97 53.56 1eio s GLU 11 Cb -0.01 -1.42 -0.14 0.00 0.10 0.00 0.00 34.13 32.66 1eio s GLU 11 CO -0.03 0.31 -0.26 1.17 0.02 0.00 0.00 175.26 176.47 1eio n LYS 12 N 0.57 0.60 -1.96 1.61 4.81 -0.76 -4.81 118.16 118.22 1eio n LYS 12 Ca -0.15 0.27 -0.13 0.00 -0.87 0.00 0.00 58.31 57.43 1eio n LYS 12 Cb 0.56 -1.53 0.05 0.00 0.02 0.00 0.00 35.03 34.13 1eio n LYS 12 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1eio n ASN 13 N -4.07 3.50 -0.14 3.14 5.15 -1.26 -4.82 115.26 116.77 1eio n ASN 13 Ca -0.50 -3.30 -0.10 0.00 -0.60 0.00 0.00 54.58 50.07 1eio n ASN 13 Cb 0.89 -0.40 -0.01 0.00 -0.53 0.00 0.00 39.78 39.73 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 2.03 0.79 0.14 1.20 3.20 -1.91 -2.42 116.97 120.01 1eio h TYR 14 Ca 0.17 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1eio h TYR 14 Cb 1.42 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.48 1eio h TYR 14 CO 0.72 0.79 -0.07 0.22 -1.64 0.00 0.00 178.16 178.19 1eio h ASP 15 N 0.57 -0.16 1.05 -2.11 1.82 -1.99 -1.01 116.42 114.60 1eio h ASP 15 Ca 0.12 -0.23 -0.02 0.00 -0.39 0.00 0.00 57.03 56.52 1eio h ASP 15 Cb 0.47 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.52 1eio h ASP 15 CO 0.02 0.15 -0.08 -0.33 -1.61 0.00 0.00 179.24 177.39 1eio h GLU 16 N -0.48 0.00 -0.09 0.28 4.39 -1.96 -2.37 114.58 114.35 1eio h GLU 16 Ca -0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1eio h GLU 16 Cb 0.38 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1eio h GLU 16 CO 0.03 0.08 -0.08 0.35 -1.16 0.00 0.00 179.01 178.23 1eio h PHE 17 N 0.00 0.25 0.00 4.33 3.57 -1.09 -3.16 116.94 120.83 1eio h PHE 17 Ca -0.00 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1eio h PHE 17 Cb 0.63 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1eio h PHE 17 CO 0.00 0.63 -0.11 0.52 -2.23 0.00 0.00 178.31 177.12 1eio h MET 18 N -0.21 0.00 -0.61 1.11 2.86 -0.86 -0.78 114.93 116.45 1eio h MET 18 Ca 0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1eio h MET 18 Cb 0.59 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1eio h MET 18 CO 0.02 0.11 0.29 0.87 1.06 0.00 0.00 176.91 179.26 1eio h LYS 19 N 0.00 0.87 0.00 1.72 6.56 -1.43 -2.58 116.57 121.72 1eio h LYS 19 Ca -0.00 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 1eio h LYS 19 Cb 0.39 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 1eio h LYS 19 CO 0.01 0.71 0.00 0.00 -2.06 0.00 0.00 179.45 178.11 1eio h ARG 20 N 0.83 0.00 -0.00 3.15 2.47 -1.12 -2.50 114.38 117.21 1eio h ARG 20 Ca 0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1eio h ARG 20 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1eio h ARG 20 CO -0.03 0.00 -0.17 1.28 0.56 0.00 0.00 179.97 181.62 1eio n LEU 21 N -2.31 0.62 -3.06 3.04 4.77 -0.98 -4.97 117.00 114.11 1eio n LEU 21 Ca 0.03 -0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.79 1eio n LEU 21 Cb 0.30 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1eio n LEU 21 CO 0.23 0.12 0.13 0.00 -1.33 0.00 0.00 177.39 176.54 1eio n ALA 22 N -0.91 -1.53 -2.91 -1.18 0.00 -0.94 -4.89 120.51 108.15 1eio n ALA 22 Ca 0.13 0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.41 1eio n ALA 22 Cb 0.30 -2.86 -0.03 0.00 0.00 0.00 0.00 19.45 16.87 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 -5.84 4.12 0.73 0.00 1.43 -1.24 -4.91 118.68 112.97 1eio s LEU 23 Ca 0.14 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1eio s LEU 23 Cb -0.06 -2.66 0.03 0.00 0.03 0.00 0.00 46.19 43.53 1eio s LEU 23 CO 0.61 -0.05 1.07 -2.16 0.23 0.00 0.00 176.35 176.06 1eio s PRO 24 N -3.85 2.61 0.41 1.29 0.04 -1.26 -4.92 135.00 129.31 1eio s PRO 24 Ca 0.33 0.83 0.09 0.00 0.04 0.00 0.00 61.00 62.29 1eio s PRO 24 Cb -0.09 -1.96 0.89 0.00 0.04 0.00 0.00 34.50 33.37 1eio s PRO 24 CO 0.27 -1.30 2.01 1.03 0.04 0.00 0.00 177.00 179.06 1eio h SER 25 N -0.86 0.48 -0.84 6.66 0.87 -2.00 -1.43 113.55 116.43 1eio h SER 25 Ca -0.45 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1eio h SER 25 Cb 1.23 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 63.04 1eio h SER 25 CO 0.58 0.32 0.54 -0.78 -0.53 0.00 0.00 176.83 176.97 1eio h ASP 26 N 0.56 0.98 0.73 6.23 3.58 -1.96 0.69 116.42 127.22 1eio h ASP 26 Ca 0.23 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 1eio h ASP 26 Cb 0.20 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 1eio h ASP 26 CO -0.06 0.73 -0.11 0.00 -2.88 0.00 0.00 179.24 176.92 1eio h ALA 27 N 1.45 1.08 0.01 -0.78 0.00 -1.63 -1.97 119.26 117.43 1eio h ALA 27 Ca 0.31 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 1eio h ALA 27 Cb -0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1eio h ALA 27 CO -0.06 0.13 -1.33 0.82 0.00 0.00 0.00 179.25 178.81 1eio h ILE 28 N 0.00 0.89 0.00 0.00 2.04 -0.91 -3.42 117.51 116.12 1eio h ILE 28 Ca -0.00 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.66 1eio h ILE 28 Cb 0.50 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1eio h ILE 28 CO 0.01 0.37 0.00 -0.90 0.00 0.00 0.00 178.15 177.64 1eio n ASP 29 N -4.33 0.00 0.00 1.72 5.68 0.21 -1.69 116.55 118.14 1eio n ASP 29 Ca -0.32 0.50 0.14 0.00 -0.50 0.00 0.00 54.79 54.60 1eio n ASP 29 Cb 0.72 -0.50 0.62 0.00 -1.14 0.00 0.00 41.12 40.82 1eio n ASP 29 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1eio n LYS 30 N -1.50 0.05 -2.20 0.11 4.76 -0.74 -3.57 118.16 115.07 1eio n LYS 30 Ca 0.06 0.01 -0.03 0.00 -2.87 0.00 0.00 58.31 55.49 1eio n LYS 30 Cb 0.28 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.03 1eio n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1eio n ALA 31 N -1.47 3.04 -2.31 7.82 0.00 -0.68 -4.87 120.51 122.04 1eio n ALA 31 Ca 0.08 -2.88 -0.35 0.00 0.00 0.00 0.00 53.44 50.29 1eio n ALA 31 Cb 0.32 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1eio n ALA 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1eio s ARG 32 N -2.82 3.17 0.00 0.00 6.06 -1.04 -2.83 118.95 121.48 1eio s ARG 32 Ca 0.34 -1.38 0.00 0.00 -2.50 0.00 0.00 55.73 52.19 1eio s ARG 32 Cb 0.36 -5.35 0.00 0.00 0.06 0.00 0.00 34.95 30.02 1eio s ARG 32 CO -0.06 -3.10 0.00 0.09 -2.50 0.00 0.00 175.30 169.73 1eio n ASN 33 N 11.57 -0.57 -4.91 -2.12 3.02 -1.26 -5.10 115.26 115.89 1eio n ASN 33 Ca 0.45 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.71 1eio n ASN 33 Cb 0.47 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 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 0.00 4.02 -0.51 3.41 1.43 -1.13 -5.05 118.68 120.85 1eio s LEU 34 Ca 0.00 0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 53.61 1eio s LEU 34 Cb 0.00 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.69 1eio s LEU 34 CO 0.00 -0.23 0.82 -0.54 0.23 0.00 0.00 176.35 176.63 1eio s LYS 35 N -3.68 3.31 0.47 1.70 1.02 -1.26 -4.99 119.74 116.31 1eio s LYS 35 Ca 0.44 -0.34 -0.23 0.00 0.02 0.00 0.00 55.97 55.86 1eio s LYS 35 Cb -0.11 -4.02 -0.07 0.00 -0.52 0.00 0.00 37.83 33.11 1eio s LYS 35 CO 0.31 -1.30 1.18 0.42 -0.92 0.00 0.00 175.35 175.03 1eio s ILE 36 N 3.44 3.05 0.22 2.17 1.01 -1.26 -4.59 121.20 125.23 1eio s ILE 36 Ca 0.27 0.78 0.05 0.00 0.00 0.00 0.00 60.65 61.75 1eio s ILE 36 Cb -0.14 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 1eio s ILE 36 CO 0.19 -0.02 0.29 -0.63 0.00 0.00 0.00 174.94 174.78 1eio s ILE 37 N -1.54 5.04 -0.10 2.92 1.09 0.11 0.33 121.20 129.06 1eio s ILE 37 Ca 0.64 -1.03 -0.10 0.00 -1.10 0.00 0.00 60.65 59.07 1eio s ILE 37 Cb -0.29 -3.70 0.03 0.00 -1.06 0.00 0.00 42.46 37.44 1eio s ILE 37 CO 0.35 -0.27 0.28 -0.44 -0.10 0.00 0.00 174.94 174.76 1eio s SER 38 N -3.74 -0.28 0.06 3.58 0.01 0.81 0.63 113.70 114.77 1eio s SER 38 Ca 0.34 0.51 0.01 0.00 1.31 0.00 0.00 55.95 58.11 1eio s SER 38 Cb -0.09 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 1eio s SER 38 CO 0.28 -0.13 0.15 -1.61 0.41 0.00 0.00 173.24 172.33 1eio s GLU 39 N -0.01 3.20 0.00 12.44 8.01 -0.60 0.92 118.70 142.66 1eio s GLU 39 Ca -0.01 -0.53 0.02 0.00 0.01 0.00 0.00 54.97 54.45 1eio s GLU 39 Cb -0.02 -2.91 -0.01 0.00 -4.31 0.00 0.00 34.13 26.87 1eio s GLU 39 CO 0.01 0.60 -0.05 0.08 0.01 0.00 0.00 175.26 175.90 1eio s VAL 40 N -1.43 0.41 -0.01 2.63 1.01 -0.24 -0.34 120.40 122.43 1eio s VAL 40 Ca 0.31 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1eio s VAL 40 Cb -0.13 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.88 1eio s VAL 40 CO 0.24 0.03 0.03 -0.75 0.00 0.00 0.00 175.10 174.65 1eio s LYS 41 N -0.36 0.11 -0.45 2.72 2.20 -0.02 -1.59 119.74 122.35 1eio s LYS 41 Ca -0.00 -0.08 -0.03 0.00 -0.36 0.00 0.00 55.97 55.50 1eio s LYS 41 Cb -0.03 0.04 0.12 0.00 -1.51 0.00 0.00 37.83 36.45 1eio s LYS 41 CO -0.00 -0.02 0.25 -0.65 -0.36 0.00 0.00 175.35 174.57 1eio s GLN 42 N -0.29 2.12 -1.35 4.03 -0.21 -1.26 -0.31 119.66 122.38 1eio s GLN 42 Ca -0.03 -1.96 -0.09 0.00 0.02 0.00 0.00 55.36 53.30 1eio s GLN 42 Cb -0.02 -3.62 0.11 0.00 1.00 0.00 0.00 33.01 30.48 1eio s GLN 42 CO -0.00 -1.10 2.14 -0.25 -2.12 0.00 0.00 175.29 173.97 1eio n ASP 43 N 4.39 5.79 0.00 5.90 8.00 0.22 -4.87 116.55 135.97 1eio n ASP 43 Ca -0.00 -3.02 0.00 0.00 0.71 0.00 0.00 54.79 52.48 1eio n ASP 43 Cb 0.41 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 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 2.88 1.83 0.02 0.44 0.00 -1.26 -1.54 105.19 107.57 1eio n GLY 44 Ca 0.50 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.66 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 2.41 0.26 -2.38 1.61 7.27 -1.26 -4.85 117.38 120.43 1eio n GLN 45 Ca 0.00 -0.02 -0.32 0.00 0.07 0.00 0.00 57.00 56.74 1eio n GLN 45 Cb 0.00 -1.57 -0.03 0.00 2.41 0.00 0.00 30.24 31.06 1eio n GLN 45 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1eio s ASN 46 N -3.78 6.53 -0.07 1.69 0.01 -0.59 -1.40 114.94 117.33 1eio s ASN 46 Ca 0.04 1.46 0.01 0.00 -0.71 0.00 0.00 52.86 53.66 1eio s ASN 46 Cb 0.15 -2.47 0.02 0.00 0.41 0.00 0.00 41.25 39.36 1eio s ASN 46 CO 0.81 -0.61 -0.07 -0.36 -1.51 0.00 0.00 177.10 175.37 1eio s PHE 47 N -2.68 1.12 0.01 2.20 0.40 0.21 0.69 117.98 119.93 1eio s PHE 47 Ca 0.57 -0.43 -0.09 0.00 -0.60 0.00 0.00 56.93 56.39 1eio s PHE 47 Cb -0.10 -0.94 -0.05 0.00 0.51 0.00 0.00 43.02 42.44 1eio s PHE 47 CO 0.35 -0.31 0.31 0.99 0.70 0.00 0.00 175.22 177.27 1eio s THR 48 N 1.19 5.22 -0.23 0.64 2.01 0.57 -0.42 115.64 124.63 1eio s THR 48 Ca -0.06 0.36 -0.03 0.00 0.31 0.00 0.00 61.69 62.27 1eio s THR 48 Cb -0.14 -3.60 0.12 0.00 0.01 0.00 0.00 72.50 68.89 1eio s THR 48 CO -0.02 0.40 0.33 0.86 -0.69 0.00 0.00 174.62 175.50 1eio s TRP 49 N -1.27 -0.64 -0.02 4.92 -0.11 0.19 -0.84 118.94 121.17 1eio s TRP 49 Ca 0.27 0.68 -0.02 0.00 1.22 0.00 0.00 56.10 58.25 1eio s TRP 49 Cb -0.14 -0.09 -0.04 0.00 -1.50 0.00 0.00 33.47 31.71 1eio s TRP 49 CO 0.15 -0.66 0.11 0.45 -4.62 0.00 0.00 176.95 172.37 1eio s SER 50 N 2.48 5.89 0.11 5.86 0.15 0.54 -1.21 113.70 127.51 1eio s SER 50 Ca 0.10 0.23 0.09 0.00 0.70 0.00 0.00 55.95 57.06 1eio s SER 50 Cb -0.15 -1.75 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1eio s SER 50 CO -0.14 0.29 -0.17 -1.10 1.20 0.00 0.00 173.24 173.32 1eio s GLN 51 N -1.64 1.83 -0.02 5.44 -1.52 0.19 -1.56 119.66 122.38 1eio s GLN 51 Ca 0.22 -1.15 0.00 0.00 -1.95 0.00 0.00 55.36 52.48 1eio s GLN 51 Cb -0.12 -2.14 0.02 0.00 -0.22 0.00 0.00 33.01 30.56 1eio s GLN 51 CO 0.13 0.49 0.02 -0.65 -0.25 0.00 0.00 175.29 175.03 1eio s GLN 52 N -2.11 0.00 -0.05 2.91 -0.21 0.21 -0.06 119.66 120.35 1eio s GLN 52 Ca 0.18 0.13 -0.19 0.00 0.02 0.00 0.00 55.36 55.51 1eio s GLN 52 Cb -0.11 -0.22 -0.05 0.00 1.00 0.00 0.00 33.01 33.64 1eio s GLN 52 CO 0.10 -0.13 0.51 0.71 -2.12 0.00 0.00 175.29 174.37 1eio s TYR 53 N 0.82 3.63 -1.35 0.91 1.51 -0.27 0.06 117.35 122.65 1eio s TYR 53 Ca -0.07 1.04 -0.16 0.00 -1.01 0.00 0.00 57.07 56.87 1eio s TYR 53 Cb -0.10 -2.53 0.07 0.00 -0.11 0.00 0.00 41.96 39.29 1eio s TYR 53 CO -0.02 0.34 1.90 -0.35 -1.11 0.00 0.00 175.55 176.31 1eio n PRO 54 N 2.91 3.10 0.00 -1.71 -0.04 -1.26 -3.57 135.00 134.43 1eio n PRO 54 Ca -0.08 -3.08 0.00 0.00 -0.04 0.00 0.00 63.50 60.30 1eio n PRO 54 Cb 0.51 -3.39 0.00 0.00 -0.04 0.00 0.00 33.50 30.59 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 4.81 -2.08 0.08 0.55 0.00 -1.26 -5.07 105.19 102.22 1eio n GLY 55 Ca 0.49 0.67 0.00 0.00 0.00 0.00 0.00 46.02 47.18 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 -1.49 0.21 3.21 -0.02 0.00 -1.23 -5.14 105.19 100.72 1eio n GLY 56 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.08 -0.05 1.61 3.76 -1.26 -5.06 115.29 115.37 1eio s HIS 57 Ca 0.00 -0.92 -0.30 0.00 -0.15 0.00 0.00 55.06 53.69 1eio s HIS 57 Cb 0.00 -0.60 0.08 0.00 1.11 0.00 0.00 32.58 33.17 1eio s HIS 57 CO 0.00 -0.12 0.75 -1.12 -0.85 0.00 0.00 174.74 173.40 1eio s SER 58 N -3.11 -0.58 0.12 1.40 0.01 -1.26 -1.12 113.70 109.15 1eio s SER 58 Ca 0.17 0.56 0.08 0.00 1.31 0.00 0.00 55.95 58.06 1eio s SER 58 Cb 0.05 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.73 1eio s SER 58 CO -0.01 -0.59 -0.19 -0.63 0.41 0.00 0.00 173.24 172.24 1eio s ILE 59 N -1.49 1.66 0.12 1.44 1.09 0.91 -4.99 121.20 119.94 1eio s ILE 59 Ca -0.07 -1.62 -0.04 0.00 -1.10 0.00 0.00 60.65 57.82 1eio s ILE 59 Cb -0.00 -1.58 -0.03 0.00 -1.06 0.00 0.00 42.46 39.79 1eio s ILE 59 CO 0.05 -0.16 0.11 0.28 -0.10 0.00 0.00 174.94 175.12 1eio s THR 60 N -1.46 0.11 -0.07 2.92 -1.32 -1.26 -0.64 115.64 113.93 1eio s THR 60 Ca 0.08 -1.70 -0.31 0.00 -1.21 0.00 0.00 61.69 58.56 1eio s THR 60 Cb -0.09 -1.85 0.07 0.00 -1.51 0.00 0.00 72.50 69.12 1eio s THR 60 CO 0.05 -0.52 0.70 0.20 -2.21 0.00 0.00 174.62 172.83 1eio s ASN 61 N -2.99 -0.65 0.01 8.08 0.01 -0.35 -4.98 114.94 114.06 1eio s ASN 61 Ca 0.18 0.75 0.03 0.00 -0.71 0.00 0.00 52.86 53.12 1eio s ASN 61 Cb 0.06 0.59 -0.03 0.00 0.41 0.00 0.00 41.25 42.28 1eio s ASN 61 CO -0.02 -0.58 -0.06 -0.89 -1.51 0.00 0.00 177.10 174.04 1eio s THR 62 N -1.08 3.67 0.18 1.60 2.01 -1.26 -0.64 115.64 120.12 1eio s THR 62 Ca -0.10 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 60.99 1eio s THR 62 Cb -0.00 -2.60 0.01 0.00 0.01 0.00 0.00 72.50 69.91 1eio s THR 62 CO 0.09 0.38 0.40 0.72 -0.69 0.00 0.00 174.62 175.52 1eio s PHE 63 N -1.01 0.17 -0.03 4.92 -0.12 0.44 -5.00 117.98 117.36 1eio s PHE 63 Ca 0.17 -0.53 0.07 0.00 -0.05 0.00 0.00 56.93 56.60 1eio s PHE 63 Cb -0.11 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.41 1eio s PHE 63 CO 0.08 -0.82 -0.23 0.99 -0.05 0.00 0.00 175.22 175.19 1eio s THR 64 N -3.93 2.27 0.23 -4.49 2.01 -1.26 0.68 115.64 111.15 1eio s THR 64 Ca 0.14 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 60.82 1eio s THR 64 Cb 0.01 -1.81 -0.09 0.00 0.01 0.00 0.00 72.50 70.62 1eio s THR 64 CO -0.01 0.58 1.00 -0.63 -0.69 0.00 0.00 174.62 174.87 1eio s ILE 65 N -0.61 3.94 -0.29 1.82 -1.09 -0.50 -4.00 121.20 120.48 1eio s ILE 65 Ca 0.10 1.88 -0.01 0.00 -2.23 0.00 0.00 60.65 60.39 1eio s ILE 65 Cb -0.10 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1eio s ILE 65 CO -0.00 0.42 0.08 0.61 -1.23 0.00 0.00 174.94 174.82 1eio n GLY 66 N 1.55 0.39 3.64 6.18 0.00 0.12 -4.93 105.19 112.14 1eio n GLY 66 Ca -0.01 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.58 1.57 0.71 1.61 2.20 -1.12 -5.03 119.74 115.09 1eio s LYS 67 Ca 0.04 -1.13 -0.09 0.00 -0.36 0.00 0.00 55.97 54.43 1eio s LYS 67 Cb -0.02 0.51 0.05 0.00 -1.51 0.00 0.00 37.83 36.86 1eio s LYS 67 CO 0.05 -0.67 1.05 -1.83 -0.36 0.00 0.00 175.35 173.59 1eio s GLU 68 N -3.97 2.38 0.18 4.03 4.04 -1.26 -1.29 118.70 122.80 1eio s GLU 68 Ca 0.18 -0.00 -0.17 0.00 0.04 0.00 0.00 54.97 55.01 1eio s GLU 68 Cb -0.02 -2.11 0.03 0.00 0.02 0.00 0.00 34.13 32.05 1eio s GLU 68 CO 0.07 -1.19 0.49 0.00 -1.84 0.00 0.00 175.26 172.78 1eio s ASP 70 N -2.86 4.92 -0.02 0.00 1.11 -1.26 -0.61 116.67 117.96 1eio s ASP 70 Ca 0.08 -0.31 -0.02 0.00 0.18 0.00 0.00 52.55 52.48 1eio s ASP 70 Cb -0.00 -1.87 -0.04 0.00 1.07 0.00 0.00 42.92 42.08 1eio s ASP 70 CO -0.05 -0.05 0.14 -0.63 1.18 0.00 0.00 175.17 175.76 1eio s ILE 71 N 1.57 5.15 0.24 0.77 -1.09 0.54 -4.98 121.20 123.40 1eio s ILE 71 Ca 0.06 -0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.26 1eio s ILE 71 Cb -0.15 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1eio s ILE 71 CO 0.02 0.36 0.19 -1.61 -1.23 0.00 0.00 174.94 172.67 1eio s GLU 72 N -1.78 1.40 2.49 2.79 2.02 -1.26 -0.33 118.70 124.03 1eio s GLU 72 Ca 0.24 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.48 1eio s GLU 72 Cb -0.12 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.40 1eio s GLU 72 CO 0.15 -0.48 0.00 0.25 0.02 0.00 0.00 175.26 175.20 1eio n THR 73 N -0.39 0.00 -3.68 3.63 -2.24 -1.23 -4.92 114.28 105.45 1eio n THR 73 Ca 0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.59 1eio n THR 73 Cb 0.65 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.93 1eio n THR 73 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1eio n ILE 74 N 0.00 -3.95 -0.10 2.28 2.08 -1.26 -1.00 119.36 117.41 1eio n ILE 74 Ca 0.00 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 63.01 1eio n ILE 74 Cb 0.00 -3.83 0.00 0.00 -0.75 0.00 0.00 39.64 35.06 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 -1.59 0.87 1.29 7.39 0.00 -1.26 -4.48 105.19 107.40 1eio n GLY 75 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.08 0.87 3.43 -0.02 0.00 -0.17 -5.05 105.19 102.17 1eio n GLY 76 Ca 0.00 -0.61 -0.44 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 -2.54 3.08 -0.36 1.61 3.01 -0.41 -4.83 119.74 119.31 1eio s LYS 77 Ca 0.00 -1.01 -0.28 0.00 -1.01 0.00 0.00 55.97 53.67 1eio s LYS 77 Cb 0.00 -4.09 0.02 0.00 -1.01 0.00 0.00 37.83 32.75 1eio s LYS 77 CO 0.00 -1.11 1.05 0.21 0.51 0.00 0.00 175.35 176.00 1eio s LYS 78 N 2.27 3.96 -0.11 1.68 2.20 -1.26 -3.51 119.74 124.96 1eio s LYS 78 Ca 0.11 0.87 0.01 0.00 -0.36 0.00 0.00 55.97 56.61 1eio s LYS 78 Cb -0.20 -3.78 0.02 0.00 -1.51 0.00 0.00 37.83 32.35 1eio s LYS 78 CO 0.11 -0.99 -0.14 -0.06 -0.36 0.00 0.00 175.35 173.91 1eio s PHE 79 N 3.74 1.88 0.58 4.03 0.40 0.55 -5.02 117.98 124.14 1eio s PHE 79 Ca 0.44 -0.91 -0.16 0.00 -0.60 0.00 0.00 56.93 55.70 1eio s PHE 79 Cb -0.11 -1.39 -0.05 0.00 0.51 0.00 0.00 43.02 41.98 1eio s PHE 79 CO 0.19 -0.49 1.04 0.15 0.70 0.00 0.00 175.22 176.80 1eio s LYS 80 N 1.14 3.49 -0.04 0.44 1.02 -1.26 -0.34 119.74 124.19 1eio s LYS 80 Ca -0.04 1.12 -0.27 0.00 0.02 0.00 0.00 55.97 56.80 1eio s LYS 80 Cb -0.14 -2.06 0.06 0.00 -0.52 0.00 0.00 37.83 35.17 1eio s LYS 80 CO -0.04 -0.67 0.59 0.00 -0.92 0.00 0.00 175.35 174.32 1eio s ALA 81 N -2.54 -1.53 -0.01 5.17 0.00 0.22 -4.37 121.76 118.70 1eio s ALA 81 Ca 0.62 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.67 1eio s ALA 81 Cb -0.14 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1eio s ALA 81 CO 0.36 -0.34 0.02 0.99 0.00 0.00 0.00 175.76 176.79 1eio s THR 82 N -1.22 4.34 -0.04 0.00 2.01 0.96 0.19 115.64 121.87 1eio s THR 82 Ca -0.12 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.39 1eio s THR 82 Cb -0.01 -2.94 0.02 0.00 0.01 0.00 0.00 72.50 69.58 1eio s THR 82 CO 0.09 0.39 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.67 1eio s VAL 83 N -1.10 0.56 0.34 3.82 1.01 -0.41 -0.09 120.40 124.53 1eio s VAL 83 Ca 0.20 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1eio s VAL 83 Cb -0.12 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.64 1eio s VAL 83 CO 0.10 0.22 0.05 -1.10 0.00 0.00 0.00 175.10 174.37 1eio s GLN 84 N 0.71 1.70 0.05 2.72 -0.21 0.67 0.14 119.66 125.44 1eio s GLN 84 Ca -0.10 -1.95 0.04 0.00 0.02 0.00 0.00 55.36 53.38 1eio s GLN 84 Cb -0.13 -0.99 -0.02 0.00 1.00 0.00 0.00 33.01 32.87 1eio s GLN 84 CO 0.00 -0.17 -0.12 1.41 -2.12 0.00 0.00 175.29 174.29 1eio s MET 85 N -3.86 0.77 0.00 2.91 1.75 -1.26 0.02 119.30 119.62 1eio s MET 85 Ca 0.36 -0.78 0.00 0.00 -1.25 0.00 0.00 55.69 54.02 1eio s MET 85 Cb 0.09 -0.72 0.00 0.00 2.84 0.00 0.00 34.83 37.04 1eio s MET 85 CO 0.16 0.17 0.00 -0.85 -0.65 0.00 0.00 175.02 173.85 1eio n GLU 86 N 1.66 3.88 0.14 4.11 -0.00 0.87 -4.97 120.64 126.33 1eio n GLU 86 Ca -0.20 0.00 -0.23 0.00 -0.00 0.00 0.00 57.16 56.73 1eio n GLU 86 Cb 0.55 0.00 -0.16 0.00 -0.00 0.00 0.00 31.44 31.83 1eio n GLU 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1eio h GLY 87 N 0.00 0.56 0.00 -1.84 0.00 -2.02 -3.38 103.07 96.39 1eio h GLY 87 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 47.33 45.89 1eio h GLY 87 CO 0.00 1.26 -1.02 0.61 0.00 0.00 0.00 176.54 177.39 1eio n GLY 88 N 1.70 -0.80 2.96 4.60 0.00 -1.26 -5.04 105.19 107.35 1eio n GLY 88 Ca -0.16 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 1eio n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1eio s LYS 89 N -2.86 0.12 0.25 1.61 2.20 -1.26 -1.99 119.74 117.82 1eio s LYS 89 Ca 0.05 0.37 -0.14 0.00 -0.36 0.00 0.00 55.97 55.89 1eio s LYS 89 Cb 0.14 -0.13 -0.08 0.00 -1.51 0.00 0.00 37.83 36.25 1eio s LYS 89 CO 0.78 -0.14 0.65 0.08 -0.36 0.00 0.00 175.35 176.36 1eio s VAL 90 N 1.00 4.75 -0.21 4.02 1.01 0.15 -0.09 120.40 131.03 1eio s VAL 90 Ca -0.08 0.88 -0.04 0.00 0.00 0.00 0.00 61.98 62.74 1eio s VAL 90 Cb -0.10 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.69 1eio s VAL 90 CO -0.05 0.00 0.20 0.54 0.00 0.00 0.00 175.10 175.79 1eio s VAL 91 N -1.75 -0.27 0.17 2.92 0.11 0.10 -0.50 120.40 121.18 1eio s VAL 91 Ca 0.47 -0.20 -0.10 0.00 -2.93 0.00 0.00 61.98 59.22 1eio s VAL 91 Cb -0.13 -0.71 -0.07 0.00 -1.53 0.00 0.00 36.38 33.95 1eio s VAL 91 CO 0.19 -0.28 0.50 -0.69 -3.33 0.00 0.00 175.10 171.49 1eio s VAL 92 N 2.28 4.98 0.01 2.04 1.01 0.16 -0.24 120.40 130.64 1eio s VAL 92 Ca 0.06 0.47 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 1eio s VAL 92 Cb -0.16 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1eio s VAL 92 CO -0.15 0.07 0.22 0.21 0.00 0.00 0.00 175.10 175.46 1eio s ASN 93 N -2.13 -0.05 0.12 3.32 2.47 0.88 -1.09 114.94 118.46 1eio s ASN 93 Ca 0.42 -0.17 -0.26 0.00 0.42 0.00 0.00 52.86 53.27 1eio s ASN 93 Cb -0.13 0.28 0.07 0.00 -1.45 0.00 0.00 41.25 40.02 1eio s ASN 93 CO 0.21 -0.48 0.97 -0.44 -3.72 0.00 0.00 177.10 173.64 1eio s SER 94 N -1.66 -0.19 0.00 -4.21 0.01 0.85 -0.03 113.70 108.47 1eio s SER 94 Ca -0.10 -0.33 0.22 0.00 1.31 0.00 0.00 55.95 57.04 1eio s SER 94 Cb -0.04 0.45 1.24 0.00 0.21 0.00 0.00 66.02 67.89 1eio s SER 94 CO 0.00 -0.83 1.81 -0.81 0.41 0.00 0.00 173.24 173.82 1eio n PRO 95 N -0.44 1.06 -2.36 12.44 -0.04 -1.26 -2.49 135.00 141.91 1eio n PRO 95 Ca -0.07 -0.09 -0.03 0.00 -0.04 0.00 0.00 63.50 63.28 1eio n PRO 95 Cb 0.61 -1.34 0.09 0.00 -0.04 0.00 0.00 33.50 32.82 1eio n PRO 95 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1eio n ASN 96 N -0.74 -1.31 -3.55 3.54 2.85 -1.26 -5.12 115.26 109.67 1eio n ASN 96 Ca 0.16 -2.10 -0.15 0.00 -0.11 0.00 0.00 54.58 52.38 1eio n ASN 96 Cb 0.10 0.59 -0.06 0.00 1.24 0.00 0.00 39.78 41.65 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 0.10 -0.59 -0.09 1.20 5.04 -1.04 -3.20 117.35 118.78 1eio s TYR 97 Ca 0.07 1.08 -0.16 0.00 -2.44 0.00 0.00 57.07 55.62 1eio s TYR 97 Cb 0.36 0.40 0.04 0.00 0.35 0.00 0.00 41.96 43.11 1eio s TYR 97 CO -0.10 -0.50 0.40 -1.58 -1.34 0.00 0.00 175.55 172.43 1eio s HIS 98 N -0.93 -0.36 0.06 4.97 5.65 0.62 -0.10 115.29 125.19 1eio s HIS 98 Ca -0.07 0.76 -0.15 0.00 0.25 0.00 0.00 55.06 55.85 1eio s HIS 98 Cb -0.01 0.16 0.03 0.00 -1.18 0.00 0.00 32.58 31.58 1eio s HIS 98 CO 0.06 -0.33 0.35 -1.58 -0.65 0.00 0.00 174.74 172.59 1eio s HIS 99 N -0.58 -0.16 -0.27 3.88 5.04 -0.25 0.07 115.29 123.02 1eio s HIS 99 Ca -0.07 0.01 -0.25 0.00 -1.54 0.00 0.00 55.06 53.21 1eio s HIS 99 Cb -0.04 0.15 0.08 0.00 0.04 0.00 0.00 32.58 32.81 1eio s HIS 99 CO 0.03 -0.56 0.75 0.99 -2.34 0.00 0.00 174.74 173.61 1eio s THR 100 N -2.82 0.00 -0.27 0.89 2.01 0.10 0.37 115.64 115.92 1eio s THR 100 Ca -0.03 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 1eio s THR 100 Cb 0.00 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.63 1eio s THR 100 CO -0.05 0.00 0.58 0.00 -0.69 0.00 0.00 174.62 174.46 1eio s ALA 101 N 0.43 -1.79 0.04 7.40 0.00 0.34 -0.25 121.76 127.94 1eio s ALA 101 Ca -0.00 2.06 -0.00 0.00 0.00 0.00 0.00 51.96 54.01 1eio s ALA 101 Cb -0.05 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 1eio s ALA 101 CO -0.01 -0.91 -0.03 -1.83 0.00 0.00 0.00 175.76 172.98 1eio s GLU 102 N 2.81 0.50 -0.11 0.00 -1.05 0.68 0.31 118.70 121.84 1eio s GLU 102 Ca -0.03 -0.98 -0.03 0.00 -0.15 0.00 0.00 54.97 53.78 1eio s GLU 102 Cb -0.12 0.15 -0.03 0.00 -0.44 0.00 0.00 34.13 33.68 1eio s GLU 102 CO -0.17 -0.08 0.02 0.42 0.95 0.00 0.00 175.26 176.40 1eio s ILE 103 N -2.90 4.48 0.00 1.83 -1.09 -0.84 0.35 121.20 123.03 1eio s ILE 103 Ca -0.02 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 1eio s ILE 103 Cb 0.01 -2.92 0.00 0.00 -1.58 0.00 0.00 42.46 37.96 1eio s ILE 103 CO -0.06 0.58 0.00 0.52 -1.23 0.00 0.00 174.94 174.74 1eio n VAL 104 N 2.46 0.00 -0.84 2.92 0.31 0.88 -4.96 118.33 119.11 1eio n VAL 104 Ca -0.18 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.06 1eio n VAL 104 Cb 0.53 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.35 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 5.26 0.00 4.52 5.75 -1.26 -4.24 116.55 126.58 1eio n ASP 105 Ca 0.00 -2.46 0.00 0.00 -0.01 0.00 0.00 54.79 52.32 1eio n ASP 105 Cb 0.00 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 38.76 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 2.19 0.36 3.70 6.12 0.00 -1.26 -4.90 105.19 111.40 1eio n GLY 106 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1eio n GLY 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1eio s LYS 107 N -0.77 4.36 -0.49 1.61 2.47 -1.26 0.03 119.74 125.69 1eio s LYS 107 Ca 0.00 1.79 -0.12 0.00 -1.56 0.00 0.00 55.97 56.08 1eio s LYS 107 Cb 0.00 -3.47 0.11 0.00 -1.46 0.00 0.00 37.83 33.02 1eio s LYS 107 CO 0.00 -0.41 0.40 -1.17 0.16 0.00 0.00 175.35 174.33 1eio s LEU 108 N 1.78 5.81 0.34 5.43 1.98 0.14 -0.08 118.68 134.08 1eio s LEU 108 Ca 0.59 -1.76 -0.26 0.00 -2.89 0.00 0.00 54.13 49.81 1eio s LEU 108 Cb -0.29 -2.10 -0.10 0.00 0.66 0.00 0.00 46.19 44.37 1eio s LEU 108 CO 0.26 -0.73 0.99 -0.69 -1.89 0.00 0.00 176.35 174.29 1eio s VAL 109 N 1.48 4.01 -0.01 1.68 1.01 0.16 0.36 120.40 129.09 1eio s VAL 109 Ca 0.04 1.65 -0.05 0.00 0.00 0.00 0.00 61.98 63.62 1eio s VAL 109 Cb -0.27 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1eio s VAL 109 CO 0.02 0.12 0.11 -1.61 0.00 0.00 0.00 175.10 173.73 1eio s GLU 110 N -2.14 0.33 -0.07 2.72 2.02 0.58 -0.23 118.70 121.91 1eio s GLU 110 Ca 0.52 -0.22 -0.03 0.00 0.02 0.00 0.00 54.97 55.26 1eio s GLU 110 Cb -0.21 0.14 0.04 0.00 0.10 0.00 0.00 34.13 34.20 1eio s GLU 110 CO 0.26 -0.07 0.15 0.08 0.02 0.00 0.00 175.26 175.70 1eio s VAL 111 N -0.86 -0.12 0.32 2.63 1.01 0.65 -0.37 120.40 123.66 1eio s VAL 111 Ca -0.09 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.21 1eio s VAL 111 Cb -0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1eio s VAL 111 CO 0.01 0.10 0.20 -0.44 0.00 0.00 0.00 175.10 174.97 1eio s SER 112 N 1.56 5.05 -0.25 3.32 0.01 0.27 0.01 113.70 123.67 1eio s SER 112 Ca -0.05 -0.57 -0.03 0.00 1.31 0.00 0.00 55.95 56.61 1eio s SER 112 Cb -0.12 -0.94 0.14 0.00 0.21 0.00 0.00 66.02 65.31 1eio s SER 112 CO -0.06 -0.25 0.43 -0.89 0.41 0.00 0.00 173.24 172.88 1eio s THR 113 N -2.32 -0.69 0.55 1.44 2.01 0.11 -1.22 115.64 115.52 1eio s THR 113 Ca 0.38 -0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.43 1eio s THR 113 Cb -0.05 -0.83 0.07 0.00 0.01 0.00 0.00 72.50 71.70 1eio s THR 113 CO 0.24 -0.07 0.76 0.54 -0.69 0.00 0.00 174.62 175.40 1eio s VAL 114 N 2.62 2.38 -0.91 3.82 0.11 -0.24 -0.28 120.40 127.90 1eio s VAL 114 Ca 0.12 -0.94 -0.25 0.00 -2.93 0.00 0.00 61.98 57.98 1eio s VAL 114 Cb -0.15 -2.44 -0.05 0.00 -1.53 0.00 0.00 36.38 32.21 1eio s VAL 114 CO -0.16 0.00 1.97 -0.83 -3.33 0.00 0.00 175.10 172.74 1eio s GLY 115 N -4.59 0.13 0.00 6.54 0.00 -1.19 -2.77 107.32 105.44 1eio s GLY 115 Ca 0.60 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1eio s GLY 115 CO 0.38 3.53 0.00 0.61 0.00 0.00 0.00 173.10 177.62 1eio n GLY 116 N 6.80 1.41 3.07 0.20 0.00 -1.26 -5.06 105.19 110.35 1eio n GLY 116 Ca 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.94 0.01 0.22 1.61 1.01 -1.12 -5.16 120.40 115.03 1eio s VAL 117 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1eio s VAL 117 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1eio s VAL 117 CO 0.00 -0.04 0.38 -0.94 0.00 0.00 0.00 175.10 174.50 1eio s SER 118 N -0.07 6.35 -0.24 3.32 1.04 -1.26 -1.08 113.70 121.76 1eio s SER 118 Ca -0.02 0.27 -0.07 0.00 0.48 0.00 0.00 55.95 56.62 1eio s SER 118 Cb -0.02 -1.95 0.12 0.00 0.10 0.00 0.00 66.02 64.26 1eio s SER 118 CO 0.00 -0.07 0.50 -0.47 0.98 0.00 0.00 173.24 174.19 1eio s TYR 119 N -1.93 -1.04 0.17 5.02 5.04 -0.36 -4.89 117.35 119.36 1eio s TYR 119 Ca 0.37 1.70 0.11 0.00 -2.44 0.00 0.00 57.07 56.81 1eio s TYR 119 Cb -0.10 0.44 -0.04 0.00 0.35 0.00 0.00 41.96 42.61 1eio s TYR 119 CO 0.30 -0.60 -0.25 -1.83 -1.34 0.00 0.00 175.55 171.83 1eio s GLU 120 N 2.71 1.49 0.19 4.97 1.03 -1.26 0.97 118.70 128.79 1eio s GLU 120 Ca 0.01 -1.44 -0.18 0.00 0.03 0.00 0.00 54.97 53.38 1eio s GLU 120 Cb -0.13 -1.88 0.03 0.00 -0.80 0.00 0.00 34.13 31.36 1eio s GLU 120 CO -0.16 0.42 0.53 -0.98 -1.33 0.00 0.00 175.26 173.74 1eio s ARG 121 N -2.42 1.36 -0.16 -4.83 1.70 0.50 -1.83 118.95 113.28 1eio s ARG 121 Ca 0.18 -0.83 0.00 0.00 -0.47 0.00 0.00 55.73 54.62 1eio s ARG 121 Cb -0.09 0.53 0.03 0.00 -0.57 0.00 0.00 34.95 34.85 1eio s ARG 121 CO 0.08 -0.58 -0.12 0.14 -1.08 0.00 0.00 175.30 173.75 1eio s VAL 122 N -3.86 1.50 0.38 4.99 -7.23 0.40 -0.31 120.40 116.27 1eio s VAL 122 Ca 0.08 -0.69 0.07 0.00 -1.81 0.00 0.00 61.98 59.63 1eio s VAL 122 Cb -0.01 -1.48 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 1eio s VAL 122 CO -0.04 0.35 0.47 -0.44 -0.31 0.00 0.00 175.10 175.13 1eio s SER 123 N 1.50 5.59 -0.13 4.85 0.01 0.16 0.38 113.70 126.05 1eio s SER 123 Ca 0.03 -0.42 -0.05 0.00 1.31 0.00 0.00 55.95 56.81 1eio s SER 123 Cb -0.14 -0.84 0.06 0.00 0.21 0.00 0.00 66.02 65.31 1eio s SER 123 CO -0.10 -0.60 0.27 -0.75 0.41 0.00 0.00 173.24 172.48 1eio s LYS 124 N -4.22 0.18 -0.20 12.44 2.47 0.15 0.28 119.74 130.84 1eio s LYS 124 Ca 0.49 0.70 -0.29 0.00 -1.56 0.00 0.00 55.97 55.31 1eio s LYS 124 Cb -0.08 -0.04 -0.01 0.00 -1.46 0.00 0.00 37.83 36.24 1eio s LYS 124 CO 0.31 -0.24 1.24 0.21 0.16 0.00 0.00 175.35 177.03 1eio s LYS 125 N 2.07 4.16 0.00 4.03 2.20 0.10 -0.89 119.74 131.41 1eio s LYS 125 Ca -0.02 1.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.12 1eio s LYS 125 Cb -0.11 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 1eio s LYS 125 CO -0.09 -0.79 0.35 -0.11 -0.36 0.00 0.00 175.35 174.35 1eio n LEU 126 N 6.80 0.00 0.00 5.43 7.94 -1.16 -4.88 117.00 131.14 1eio n LEU 126 Ca 0.14 -0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 1eio n LEU 126 Cb 0.45 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.40 1eio n LEU 126 CO 0.57 0.05 0.00 0.00 -1.11 0.00 0.00 177.39 176.90