#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gef s TYR 2 N 0.00 2.42 0.15 1.12 6.04 -1.26 -4.83 117.35 121.00 1gef s TYR 2 Ca 0.00 -0.70 -0.16 0.00 0.04 0.00 0.00 57.07 56.26 1gef s TYR 2 Cb 0.00 -4.51 0.02 0.00 -1.04 0.00 0.00 41.96 36.43 1gef s TYR 2 CO 0.00 -1.75 1.79 0.00 -1.54 0.00 0.00 175.55 174.05 1gef h ARG 3 N 9.23 0.59 -0.57 4.97 2.47 -2.06 -1.88 114.38 127.13 1gef h ARG 3 Ca 0.27 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 1gef h ARG 3 Cb 0.95 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 29.12 1gef h ARG 3 CO 1.38 0.42 0.30 0.87 0.56 0.00 0.00 179.97 183.50 1gef h LYS 4 N 0.58 0.78 -0.22 0.04 6.56 -2.00 -1.63 116.57 120.69 1gef h LYS 4 Ca 0.16 -0.08 -0.03 0.00 -1.06 0.00 0.00 60.65 59.64 1gef h LYS 4 Cb -0.02 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.48 1gef h LYS 4 CO -0.03 0.59 0.02 0.78 -2.06 0.00 0.00 179.45 178.75 1gef h GLY 5 N 0.86 0.39 1.19 3.86 0.00 -1.87 -2.40 103.07 105.10 1gef h GLY 5 Ca 0.20 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.27 1gef h GLY 5 CO -0.03 0.25 0.54 0.00 0.00 0.00 0.00 176.54 177.30 1gef h ALA 6 N 0.83 1.42 -0.49 3.60 0.00 -0.86 -0.79 119.26 122.97 1gef h ALA 6 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1gef h ALA 6 Cb 0.34 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1gef h ALA 6 CO 0.01 0.54 0.11 0.37 0.00 0.00 0.00 179.25 180.27 1gef h GLN 7 N 1.11 0.79 -0.46 0.00 4.15 -1.19 -1.53 115.11 117.98 1gef h GLN 7 Ca 0.30 -0.20 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 1gef h GLN 7 Cb -0.12 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 1gef h GLN 7 CO -0.07 0.78 0.04 0.00 -1.93 0.00 0.00 178.83 177.65 1gef h ALA 8 N 0.98 0.61 -0.56 3.38 0.00 -0.99 -2.74 119.26 119.96 1gef h ALA 8 Ca 0.15 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1gef h ALA 8 Cb 0.35 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1gef h ALA 8 CO 0.00 0.37 0.33 1.49 0.00 0.00 0.00 179.25 181.45 1gef h GLU 9 N 0.64 0.64 -0.83 0.00 4.81 -0.98 -0.76 114.58 118.11 1gef h GLU 9 Ca 0.14 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1gef h GLU 9 Cb 0.44 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 1gef h GLU 9 CO 0.02 0.42 0.52 0.00 -0.73 0.00 0.00 179.01 179.24 1gef h ARG 10 N 0.66 0.96 -0.26 1.92 3.08 -1.17 -0.77 114.38 118.80 1gef h ARG 10 Ca 0.23 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1gef h ARG 10 Cb 0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1gef h ARG 10 CO -0.10 0.64 0.10 1.49 -1.07 0.00 0.00 179.97 181.02 1gef h GLU 11 N 0.99 0.40 -0.51 0.04 4.81 -1.08 -2.83 114.58 116.40 1gef h GLU 11 Ca 0.34 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1gef h GLU 11 Cb 0.07 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1gef h GLU 11 CO -0.14 0.44 0.31 1.25 -0.73 0.00 0.00 179.01 180.14 1gef h LEU 12 N 0.27 0.61 -0.50 1.64 5.85 -0.71 -2.49 115.31 119.99 1gef h LEU 12 Ca 0.09 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1gef h LEU 12 Cb 0.19 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1gef h LEU 12 CO -0.01 0.48 0.21 0.40 -0.34 0.00 0.00 178.44 179.19 1gef h ILE 13 N 0.68 0.88 -0.68 4.05 2.04 -1.07 -0.48 117.51 122.94 1gef h ILE 13 Ca 0.18 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1gef h ILE 13 Cb -0.02 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1gef h ILE 13 CO -0.04 0.08 0.36 0.11 0.00 0.00 0.00 178.15 178.66 1gef h LYS 14 N 0.41 0.93 -0.41 2.37 1.57 -1.27 0.88 116.57 121.05 1gef h LYS 14 Ca 0.23 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1gef h LYS 14 Cb 0.21 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1gef h LYS 14 CO -0.21 0.69 0.17 -0.07 -0.57 0.00 0.00 179.45 179.47 1gef h LEU 15 N 0.94 0.56 -0.40 2.94 3.38 -0.82 0.14 115.31 122.06 1gef h LEU 15 Ca 0.24 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1gef h LEU 15 Cb 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1gef h LEU 15 CO -0.04 0.57 0.10 -0.07 0.09 0.00 0.00 178.44 179.09 1gef h LEU 16 N 0.53 0.60 -1.05 1.67 3.38 -0.56 -2.68 115.31 117.20 1gef h LEU 16 Ca 0.14 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1gef h LEU 16 Cb 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1gef h LEU 16 CO -0.01 0.67 0.11 -0.33 0.09 0.00 0.00 178.44 178.96 1gef h GLU 17 N 0.50 0.79 -0.65 1.13 5.08 -0.63 -1.44 114.58 119.36 1gef h GLU 17 Ca 0.13 -0.16 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1gef h GLU 17 Cb 0.30 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1gef h GLU 17 CO 0.00 0.72 0.43 -0.22 -1.00 0.00 0.00 179.01 178.95 1gef h LYS 18 N 0.76 0.58 -0.77 2.33 3.64 -0.41 0.92 116.57 123.61 1gef h LYS 18 Ca 0.17 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1gef h LYS 18 Cb 0.31 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1gef h LYS 18 CO 0.00 0.38 0.00 0.72 -2.27 0.00 0.00 179.45 178.28 1gef n HIS 19 N -4.48 0.85 -0.82 1.91 8.25 -0.62 -4.88 115.22 115.42 1gef n HIS 19 Ca 0.10 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1gef n HIS 19 Cb 0.28 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1gef n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gef n GLY 20 N 0.34 0.68 3.81 -1.41 0.00 0.32 -5.05 105.19 103.89 1gef n GLY 20 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1gef n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gef s PHE 21 N -2.47 3.68 -0.24 1.61 0.08 -0.72 -4.64 117.98 115.27 1gef s PHE 21 Ca 0.00 1.38 -0.10 0.00 0.12 0.00 0.00 56.93 58.33 1gef s PHE 21 Cb 0.00 -2.61 -0.05 0.00 -0.57 0.00 0.00 43.02 39.79 1gef s PHE 21 CO 0.00 0.37 0.15 0.00 -0.10 0.00 0.00 175.22 175.64 1gef s ALA 22 N -1.46 3.57 0.01 5.36 0.00 0.11 -3.94 121.76 125.40 1gef s ALA 22 Ca 0.41 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.53 1gef s ALA 22 Cb -0.17 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1gef s ALA 22 CO 0.21 -0.20 -0.16 0.08 0.00 0.00 0.00 175.76 175.69 1gef s VAL 23 N 1.08 2.91 -0.05 0.00 1.01 -1.26 -1.72 120.40 122.37 1gef s VAL 23 Ca 0.07 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1gef s VAL 23 Cb -0.14 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1gef s VAL 23 CO 0.05 0.44 -0.15 -0.69 0.00 0.00 0.00 175.10 174.74 1gef s VAL 24 N -0.85 1.28 -0.15 2.92 1.01 -0.42 -5.01 120.40 119.17 1gef s VAL 24 Ca 0.14 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1gef s VAL 24 Cb -0.11 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1gef s VAL 24 CO 0.04 0.38 0.23 -0.13 0.00 0.00 0.00 175.10 175.62 1gef s ARG 25 N 0.24 4.09 -0.11 2.72 0.52 -1.26 -1.71 118.95 123.44 1gef s ARG 25 Ca -0.07 -0.00 -0.30 0.00 -0.52 0.00 0.00 55.73 54.84 1gef s ARG 25 Cb -0.12 -3.37 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 1gef s ARG 25 CO 0.03 0.37 1.06 0.45 0.02 0.00 0.00 175.30 177.23 1gef s SER 26 N 0.09 7.18 0.18 0.23 0.15 -0.41 -4.98 113.70 116.15 1gef s SER 26 Ca 0.14 1.58 -0.33 0.00 0.70 0.00 0.00 55.95 58.05 1gef s SER 26 Cb -0.13 -2.55 -0.13 0.00 -1.71 0.00 0.00 66.02 61.50 1gef s SER 26 CO 0.03 -0.51 1.61 0.00 1.20 0.00 0.00 173.24 175.57 1gef n ALA 27 N 5.23 1.81 -1.09 5.45 0.00 -1.26 -0.69 120.51 129.96 1gef n ALA 27 Ca 0.10 0.43 -0.03 0.00 0.00 0.00 0.00 53.44 53.93 1gef n ALA 27 Cb 0.48 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.51 1gef n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gef n GLY 28 N 3.46 0.35 2.38 0.00 0.00 -1.26 -2.38 105.19 107.73 1gef n GLY 28 Ca 0.16 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1gef n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gef n SER 29 N -0.95 -4.85 0.00 1.61 7.64 0.13 -4.89 113.62 112.32 1gef n SER 29 Ca -0.03 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1gef n SER 29 Cb 0.49 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 1gef n SER 29 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1gef n LYS 30 N -2.61 0.00 -0.12 1.43 3.00 -1.00 -3.24 118.16 115.62 1gef n LYS 30 Ca -0.19 0.05 -0.15 0.00 -0.00 0.00 0.00 58.31 58.01 1gef n LYS 30 Cb 0.62 -0.09 -0.13 0.00 0.00 0.00 0.00 35.03 35.42 1gef n LYS 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1gef n LYS 31 N -0.67 0.66 -4.07 1.64 4.76 -1.26 -5.04 118.16 114.18 1gef n LYS 31 Ca 0.00 0.10 -0.10 0.00 -2.87 0.00 0.00 58.31 55.44 1gef n LYS 31 Cb 0.00 -1.52 -0.07 0.00 -1.84 0.00 0.00 35.03 31.60 1gef n LYS 31 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1gef s VAL 32 N -2.51 0.00 -0.14 -0.18 0.11 -1.20 -4.57 120.40 111.91 1gef s VAL 32 Ca -0.26 -1.62 -0.27 0.00 -2.93 0.00 0.00 61.98 56.90 1gef s VAL 32 Cb 0.08 -2.32 -0.26 0.00 -1.53 0.00 0.00 36.38 32.35 1gef s VAL 32 CO 0.68 0.00 0.69 0.44 -3.33 0.00 0.00 175.10 173.58 1gef h ASP 33 N 2.38 0.06 -5.09 3.54 3.32 -1.59 -3.40 116.42 115.64 1gef h ASP 33 Ca -0.29 -0.91 -0.14 0.00 0.02 0.00 0.00 57.03 55.70 1gef h ASP 33 Cb 1.25 -0.02 -0.18 0.00 0.22 0.00 0.00 39.33 40.60 1gef h ASP 33 CO 0.42 1.14 -0.64 -0.76 -1.72 0.00 0.00 179.24 177.67 1gef s LEU 34 N -8.11 2.17 -0.06 1.55 1.43 -0.65 -1.29 118.68 113.72 1gef s LEU 34 Ca -0.20 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.27 1gef s LEU 34 Cb -0.01 0.29 0.01 0.00 0.03 0.00 0.00 46.19 46.51 1gef s LEU 34 CO 0.69 -0.45 -0.11 -0.69 0.23 0.00 0.00 176.35 176.02 1gef s VAL 35 N -2.53 1.05 -0.01 -1.59 1.01 -0.69 -0.03 120.40 117.61 1gef s VAL 35 Ca -0.06 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1gef s VAL 35 Cb -0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1gef s VAL 35 CO -0.05 0.34 -0.10 0.00 0.00 0.00 0.00 175.10 175.29 1gef s ALA 36 N 0.72 0.87 0.01 5.51 0.00 0.42 -1.30 121.76 127.98 1gef s ALA 36 Ca -0.14 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1gef s ALA 36 Cb -0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1gef s ALA 36 CO 0.03 0.21 -0.03 0.20 0.00 0.00 0.00 175.76 176.17 1gef s GLY 37 N -0.21 0.18 -0.05 0.00 0.00 -0.70 0.69 107.32 107.23 1gef s GLY 37 Ca 0.03 -0.30 0.07 0.00 0.00 0.00 0.00 44.72 44.52 1gef s GLY 37 CO -0.00 -0.32 1.00 1.16 0.00 0.00 0.00 173.10 174.94 1gef n ASN 38 N 2.44 1.73 0.00 1.64 6.94 -0.85 -0.71 115.26 126.45 1gef n ASN 38 Ca -0.17 -2.30 0.00 0.00 -0.02 0.00 0.00 54.58 52.09 1gef n ASN 38 Cb 0.58 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 1gef n ASN 38 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1gef n GLY 39 N -0.75 2.23 0.00 4.83 0.00 -1.26 -4.77 105.19 105.47 1gef n GLY 39 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1gef n GLY 39 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gef n LYS 40 N -0.11 2.69 -4.87 1.61 2.85 -1.26 -5.07 118.16 114.00 1gef n LYS 40 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 1gef n LYS 40 Cb 0.00 -0.86 -0.15 0.00 -0.65 0.00 0.00 35.03 33.38 1gef n LYS 40 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1gef s LYS 41 N -1.72 1.77 -0.07 -1.58 2.20 -1.26 -5.13 119.74 113.94 1gef s LYS 41 Ca 0.00 -1.12 0.03 0.00 -0.36 0.00 0.00 55.97 54.52 1gef s LYS 41 Cb 0.00 -1.96 0.01 0.00 -1.51 0.00 0.00 37.83 34.36 1gef s LYS 41 CO 0.00 0.51 -0.17 0.71 -0.36 0.00 0.00 175.35 176.04 1gef s TYR 42 N -0.82 1.87 -0.04 4.03 2.02 -1.26 -2.01 117.35 121.13 1gef s TYR 42 Ca 0.12 -0.71 0.06 0.00 -0.37 0.00 0.00 57.07 56.17 1gef s TYR 42 Cb -0.10 -1.30 -0.02 0.00 -0.40 0.00 0.00 41.96 40.14 1gef s TYR 42 CO 0.02 -0.31 -0.20 -0.51 -1.57 0.00 0.00 175.55 172.97 1gef s LEU 43 N 0.48 2.36 -0.25 -1.29 1.43 0.22 -0.49 118.68 121.14 1gef s LEU 43 Ca -0.15 -0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1gef s LEU 43 Cb -0.16 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.65 1gef s LEU 43 CO 0.05 0.31 -0.08 0.00 0.23 0.00 0.00 176.35 176.86 1gef s ILE 45 N 1.26 2.77 -0.17 0.00 1.01 0.96 -0.97 121.20 126.05 1gef s ILE 45 Ca -0.02 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 1gef s ILE 45 Cb -0.17 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1gef s ILE 45 CO -0.05 0.58 -0.06 -1.61 0.00 0.00 0.00 174.94 173.79 1gef s GLU 46 N -0.50 3.49 -0.15 2.79 0.41 -0.30 -1.63 118.70 122.80 1gef s GLU 46 Ca 0.06 -0.60 -0.05 0.00 -0.41 0.00 0.00 54.97 53.97 1gef s GLU 46 Cb -0.12 -2.88 -0.04 0.00 -1.78 0.00 0.00 34.13 29.32 1gef s GLU 46 CO 0.01 0.06 0.03 0.08 -0.49 0.00 0.00 175.26 174.95 1gef s VAL 47 N 0.80 4.48 0.08 2.63 1.01 -1.26 -0.66 120.40 127.48 1gef s VAL 47 Ca -0.02 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1gef s VAL 47 Cb -0.15 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1gef s VAL 47 CO 0.02 0.51 -0.12 -0.54 0.00 0.00 0.00 175.10 174.96 1gef s LYS 48 N 0.03 0.82 -0.05 2.72 -0.14 0.47 -4.97 119.74 118.62 1gef s LYS 48 Ca 0.04 -1.02 -0.03 0.00 -1.36 0.00 0.00 55.97 53.59 1gef s LYS 48 Cb -0.13 -0.71 0.02 0.00 -1.68 0.00 0.00 37.83 35.34 1gef s LYS 48 CO 0.02 0.14 0.13 0.54 -0.76 0.00 0.00 175.35 175.41 1gef s VAL 49 N -1.70 -0.02 0.05 3.17 0.11 -1.26 -1.13 120.40 119.62 1gef s VAL 49 Ca 0.01 0.08 -0.15 0.00 -2.93 0.00 0.00 61.98 58.98 1gef s VAL 49 Cb -0.08 -0.20 0.03 0.00 -1.53 0.00 0.00 36.38 34.60 1gef s VAL 49 CO 0.02 0.03 0.34 0.28 -3.33 0.00 0.00 175.10 172.44 1gef s THR 50 N 0.54 0.07 -1.31 5.04 -1.32 -0.80 -4.94 115.64 112.93 1gef s THR 50 Ca -0.04 -0.61 0.22 0.00 -1.21 0.00 0.00 61.69 60.05 1gef s THR 50 Cb -0.06 -0.97 -0.13 0.00 -1.51 0.00 0.00 72.50 69.84 1gef s THR 50 CO -0.02 -0.34 1.02 2.29 -2.21 0.00 0.00 174.62 175.36 1gef n LYS 51 N 0.49 0.36 -2.28 7.08 2.85 -1.26 -0.03 118.16 125.36 1gef n LYS 51 Ca -0.18 -0.29 -0.28 0.00 -1.05 0.00 0.00 58.31 56.51 1gef n LYS 51 Cb 0.60 -1.49 0.02 0.00 -0.65 0.00 0.00 35.03 33.50 1gef n LYS 51 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1gef s LYS 52 N -2.84 3.22 -0.04 -1.58 1.02 -1.26 -4.80 119.74 113.47 1gef s LYS 52 Ca 0.12 0.28 0.09 0.00 0.02 0.00 0.00 55.97 56.48 1gef s LYS 52 Cb 0.17 -2.22 0.33 0.00 -0.52 0.00 0.00 37.83 35.59 1gef s LYS 52 CO 0.76 -0.58 1.19 -0.40 -0.92 0.00 0.00 175.35 175.40 1gef n ASP 53 N -2.59 2.33 -3.49 2.83 5.68 -1.26 -4.78 116.55 115.26 1gef n ASP 53 Ca 0.04 -2.15 -0.11 0.00 -0.50 0.00 0.00 54.79 52.06 1gef n ASP 53 Cb 0.56 -0.36 -0.03 0.00 -1.14 0.00 0.00 41.12 40.16 1gef n ASP 53 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1gef s HIS 54 N -1.64 -0.43 -0.13 2.11 -3.43 -1.26 -4.33 115.29 106.18 1gef s HIS 54 Ca 0.24 0.19 -0.06 0.00 -0.80 0.00 0.00 55.06 54.62 1gef s HIS 54 Cb 0.15 0.48 0.05 0.00 -1.43 0.00 0.00 32.58 31.83 1gef s HIS 54 CO 0.13 -0.82 0.30 -1.17 -2.00 0.00 0.00 174.74 171.18 1gef s LEU 55 N -2.77 0.19 -0.02 5.38 2.96 -0.02 -4.98 118.68 119.42 1gef s LEU 55 Ca 0.02 0.65 -0.17 0.00 -0.22 0.00 0.00 54.13 54.41 1gef s LEU 55 Cb -0.00 0.93 -0.05 0.00 0.50 0.00 0.00 46.19 47.56 1gef s LEU 55 CO -0.12 -0.18 0.46 -0.31 -1.32 0.00 0.00 176.35 174.88 1gef s TYR 56 N 1.41 3.69 -0.20 5.38 1.51 -1.26 -0.65 117.35 127.22 1gef s TYR 56 Ca -0.09 1.03 0.01 0.00 -1.01 0.00 0.00 57.07 57.01 1gef s TYR 56 Cb -0.10 -2.41 0.04 0.00 -0.11 0.00 0.00 41.96 39.38 1gef s TYR 56 CO -0.10 0.50 -0.11 0.08 -1.11 0.00 0.00 175.55 174.81 1gef s VAL 57 N -0.60 1.70 0.77 0.71 1.01 -0.28 -5.00 120.40 118.71 1gef s VAL 57 Ca 0.25 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 1gef s VAL 57 Cb -0.17 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.49 1gef s VAL 57 CO 0.14 0.18 1.06 0.61 0.00 0.00 0.00 175.10 177.09 1gef n GLY 58 N 4.66 -0.27 0.34 4.51 0.00 -1.26 -2.88 105.19 110.30 1gef n GLY 58 Ca -0.15 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.41 1gef n GLY 58 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1gef h LYS 59 N -0.57 1.20 0.18 1.61 3.64 -1.92 -1.98 116.57 118.73 1gef h LYS 59 Ca -0.47 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 58.74 1gef h LYS 59 Cb 1.32 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1gef h LYS 59 CO 0.46 0.91 -0.09 -0.09 -2.27 0.00 0.00 179.45 178.38 1gef h ARG 60 N 1.19 -0.23 -0.54 1.90 2.43 -1.91 0.18 114.38 117.40 1gef h ARG 60 Ca 0.29 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.55 1gef h ARG 60 Cb 0.09 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 1gef h ARG 60 CO -0.04 -0.10 0.21 -0.44 -1.51 0.00 0.00 179.97 178.09 1gef h ASP 61 N -0.31 0.23 -0.54 -3.80 3.32 -1.90 0.63 116.42 114.05 1gef h ASP 61 Ca -0.02 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1gef h ASP 61 Cb 0.24 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1gef h ASP 61 CO 0.04 0.15 0.33 0.24 -1.72 0.00 0.00 179.24 178.29 1gef h MET 62 N 0.40 0.65 -0.75 3.56 2.86 -1.14 -2.43 114.93 118.07 1gef h MET 62 Ca 0.26 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.82 1gef h MET 62 Cb 0.27 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 1gef h MET 62 CO -0.25 0.43 0.29 0.78 1.06 0.00 0.00 176.91 179.22 1gef h GLY 63 N 0.67 1.21 0.96 8.32 0.00 0.30 -1.85 103.07 112.67 1gef h GLY 63 Ca 0.21 -0.67 0.01 0.00 0.00 0.00 0.00 47.33 46.88 1gef h GLY 63 CO -0.08 0.63 0.20 -0.09 0.00 0.00 0.00 176.54 177.19 1gef h ARG 64 N 1.09 0.39 -0.12 4.80 2.43 -0.65 -0.63 114.38 121.68 1gef h ARG 64 Ca 0.25 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1gef h ARG 64 Cb 0.23 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1gef h ARG 64 CO -0.02 0.26 0.05 1.25 -1.51 0.00 0.00 179.97 180.00 1gef h LEU 65 N 0.40 0.17 -0.56 3.80 5.85 -1.25 -1.51 115.31 122.22 1gef h LEU 65 Ca 0.12 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1gef h LEU 65 Cb -0.02 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1gef h LEU 65 CO -0.04 0.30 0.24 0.40 -0.34 0.00 0.00 178.44 179.00 1gef h ILE 66 N 0.03 1.21 0.18 4.05 2.04 -1.25 -0.83 117.51 122.94 1gef h ILE 66 Ca 0.04 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1gef h ILE 66 Cb 0.18 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1gef h ILE 66 CO -0.00 0.25 -0.08 -0.08 0.00 0.00 0.00 178.15 178.23 1gef h GLU 67 N 0.75 -0.23 -0.57 2.37 4.57 -1.06 -1.11 114.58 119.31 1gef h GLU 67 Ca 0.19 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 1gef h GLU 67 Cb 0.16 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 1gef h GLU 67 CO -0.02 -0.12 0.27 0.35 -1.18 0.00 0.00 179.01 178.32 1gef h PHE 68 N -0.28 0.83 -0.90 0.92 3.04 -1.20 -2.18 116.94 117.17 1gef h PHE 68 Ca -0.02 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.87 1gef h PHE 68 Cb 0.22 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 38.43 1gef h PHE 68 CO -0.05 0.64 0.52 0.77 -2.02 0.00 0.00 178.31 178.17 1gef h SER 69 N 0.78 1.10 -0.44 0.41 0.02 -1.04 0.89 113.55 115.27 1gef h SER 69 Ca 0.20 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 1gef h SER 69 Cb 0.12 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1gef h SER 69 CO -0.02 0.86 -0.10 -0.09 -1.14 0.00 0.00 176.83 176.33 1gef h ARG 70 N 1.24 0.84 -0.31 3.45 2.43 -0.99 0.69 114.38 121.74 1gef h ARG 70 Ca 0.32 -0.32 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1gef h ARG 70 Cb -0.02 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1gef h ARG 70 CO -0.06 0.95 -0.32 -0.09 -1.51 0.00 0.00 179.97 178.95 1gef h ARG 71 N 0.68 0.77 -0.32 0.20 2.43 -1.05 -3.26 114.38 113.83 1gef h ARG 71 Ca 0.11 -0.41 -0.18 0.00 -0.81 0.00 0.00 59.98 58.69 1gef h ARG 71 Cb 0.64 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1gef h ARG 71 CO 0.04 1.04 -0.50 0.35 -1.51 0.00 0.00 179.97 179.39 1gef h PHE 72 N 0.53 1.10 0.00 2.20 3.04 -0.81 -3.48 116.94 119.53 1gef h PHE 72 Ca 0.05 -0.37 0.00 0.00 3.98 0.00 0.00 57.97 61.63 1gef h PHE 72 Cb 0.90 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.19 1gef h PHE 72 CO 0.07 1.20 0.00 0.41 -2.02 0.00 0.00 178.31 177.97 1gef n GLY 73 N 0.29 0.92 3.28 2.40 0.00 0.11 -5.08 105.19 107.10 1gef n GLY 73 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 1gef n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gef s GLY 74 N -1.83 1.29 -0.17 -0.02 0.00 -0.45 -4.70 107.32 101.43 1gef s GLY 74 Ca 0.00 -1.62 -0.29 0.00 0.00 0.00 0.00 44.72 42.81 1gef s GLY 74 CO 0.00 -1.62 1.10 -0.42 0.00 0.00 0.00 173.10 172.16 1gef s ILE 75 N -3.40 4.56 -0.23 0.90 1.01 0.36 -4.47 121.20 119.94 1gef s ILE 75 Ca 0.22 1.87 -0.29 0.00 0.00 0.00 0.00 60.65 62.46 1gef s ILE 75 Cb 0.04 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 1gef s ILE 75 CO 0.04 -0.11 1.50 -2.16 0.00 0.00 0.00 174.94 174.22 1gef s PRO 76 N 2.89 3.89 -0.08 2.79 0.04 -1.26 -1.78 135.00 141.49 1gef s PRO 76 Ca 0.49 1.58 0.03 0.00 0.04 0.00 0.00 61.00 63.14 1gef s PRO 76 Cb -0.18 -3.97 0.01 0.00 0.04 0.00 0.00 34.50 30.40 1gef s PRO 76 CO 0.12 -1.17 -0.18 0.08 0.04 0.00 0.00 177.00 175.89 1gef s VAL 77 N 4.75 1.61 -0.29 -0.36 1.01 -0.14 -1.98 120.40 124.99 1gef s VAL 77 Ca 0.66 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 1gef s VAL 77 Cb -0.23 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1gef s VAL 77 CO 0.26 0.46 0.15 -0.22 0.00 0.00 0.00 175.10 175.75 1gef s LEU 78 N 0.44 3.97 -0.28 3.92 2.96 -0.50 -1.15 118.68 128.04 1gef s LEU 78 Ca -0.16 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.37 1gef s LEU 78 Cb -0.16 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.52 1gef s LEU 78 CO 0.06 -0.13 0.03 0.00 -1.32 0.00 0.00 176.35 174.99 1gef s ALA 79 N 1.66 2.95 -0.07 5.97 0.00 0.17 -1.49 121.76 130.94 1gef s ALA 79 Ca 0.06 -1.43 0.05 0.00 0.00 0.00 0.00 51.96 50.63 1gef s ALA 79 Cb -0.16 -1.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 1gef s ALA 79 CO 0.07 -0.86 -0.22 0.08 0.00 0.00 0.00 175.76 174.83 1gef s VAL 80 N 1.45 2.32 -0.46 0.00 1.01 -0.46 -0.39 120.40 123.87 1gef s VAL 80 Ca 0.02 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1gef s VAL 80 Cb -0.17 -1.88 0.11 0.00 0.00 0.00 0.00 36.38 34.44 1gef s VAL 80 CO 0.00 0.57 0.33 -0.75 0.00 0.00 0.00 175.10 175.25 1gef s LYS 81 N -0.12 2.56 -0.77 2.72 2.20 -0.29 -0.60 119.74 125.44 1gef s LYS 81 Ca -0.04 -1.66 -0.25 0.00 -0.36 0.00 0.00 55.97 53.65 1gef s LYS 81 Cb -0.14 -3.91 0.04 0.00 -1.51 0.00 0.00 37.83 32.31 1gef s LYS 81 CO 0.04 -1.13 1.24 -0.06 -0.36 0.00 0.00 175.35 175.08 1gef s PHE 82 N 1.40 2.42 0.20 4.03 0.40 -0.41 -1.90 117.98 124.12 1gef s PHE 82 Ca 0.05 -0.31 -0.31 0.00 -0.60 0.00 0.00 56.93 55.76 1gef s PHE 82 Cb -0.25 -4.57 -0.16 0.00 0.51 0.00 0.00 43.02 38.55 1gef s PHE 82 CO 0.00 -1.96 0.93 1.28 0.70 0.00 0.00 175.22 176.18 1gef n LEU 83 N 8.90 0.73 0.00 -0.37 4.77 0.95 -0.34 117.00 131.64 1gef n LEU 83 Ca 0.07 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 1gef n LEU 83 Cb 0.49 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 1gef n LEU 83 CO 0.68 -1.84 0.00 0.59 -1.33 0.00 0.00 177.39 175.49 1gef n ASN 84 N 1.72 -3.76 0.00 -1.43 5.03 -1.26 -4.71 115.26 110.86 1gef n ASN 84 Ca 0.15 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.60 1gef n ASN 84 Cb 0.26 -1.39 0.00 0.00 -1.02 0.00 0.00 39.78 37.63 1gef n ASN 84 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1gef n VAL 85 N -2.67 0.00 0.00 2.41 0.31 0.40 -5.18 118.33 113.60 1gef n VAL 85 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1gef n VAL 85 Cb 0.15 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 1gef n VAL 85 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gef n GLY 86 N 1.75 0.84 3.76 2.92 0.00 0.54 -4.97 105.19 110.02 1gef n GLY 86 Ca 0.00 -2.30 -0.40 0.00 0.00 0.00 0.00 46.02 43.31 1gef n GLY 86 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1gef s TRP 87 N -0.94 3.56 -0.04 1.61 0.52 -1.26 -1.29 118.94 121.10 1gef s TRP 87 Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 56.10 57.78 1gef s TRP 87 Cb 0.00 -3.30 0.03 0.00 -1.15 0.00 0.00 33.47 29.04 1gef s TRP 87 CO 0.00 -0.63 -0.00 1.03 0.02 0.00 0.00 176.95 177.37 1gef s ARG 88 N -1.25 0.39 -0.07 4.98 1.81 0.23 -4.76 118.95 120.28 1gef s ARG 88 Ca 0.46 0.08 0.03 0.00 -1.72 0.00 0.00 55.73 54.57 1gef s ARG 88 Cb -0.32 -0.60 -0.02 0.00 -0.45 0.00 0.00 34.95 33.56 1gef s ARG 88 CO 0.40 -0.17 -0.13 -0.06 -0.68 0.00 0.00 175.30 174.66 1gef s PHE 89 N 1.23 2.75 -0.12 -0.53 0.08 0.08 -1.36 117.98 120.11 1gef s PHE 89 Ca -0.07 -0.24 -0.00 0.00 0.12 0.00 0.00 56.93 56.74 1gef s PHE 89 Cb -0.13 -1.68 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 1gef s PHE 89 CO -0.02 0.12 -0.09 -1.50 -0.10 0.00 0.00 175.22 173.63 1gef s ILE 90 N -0.51 1.11 -0.67 0.64 1.10 -0.56 -0.60 121.20 121.72 1gef s ILE 90 Ca 0.07 -0.34 -0.26 0.00 -0.51 0.00 0.00 60.65 59.60 1gef s ILE 90 Cb -0.12 -1.11 0.04 0.00 0.15 0.00 0.00 42.46 41.42 1gef s ILE 90 CO 0.02 0.38 1.16 -0.70 -2.11 0.00 0.00 174.94 173.69 1gef s GLU 91 N 1.66 3.26 0.31 3.50 2.12 -1.26 -1.41 118.70 126.87 1gef s GLU 91 Ca 0.05 -0.26 -0.29 0.00 0.36 0.00 0.00 54.97 54.82 1gef s GLU 91 Cb -0.13 -4.14 -0.10 0.00 0.26 0.00 0.00 34.13 30.02 1gef s GLU 91 CO -0.08 -1.91 1.35 0.14 -0.54 0.00 0.00 175.26 174.22 1gef s VAL 92 N 5.04 2.67 0.82 3.70 -7.23 -0.84 -5.02 120.40 119.53 1gef s VAL 92 Ca 0.33 0.64 -0.12 0.00 -1.81 0.00 0.00 61.98 61.03 1gef s VAL 92 Cb -0.10 -3.41 0.08 0.00 0.56 0.00 0.00 36.38 33.51 1gef s VAL 92 CO 0.17 0.14 1.12 -0.94 -0.31 0.00 0.00 175.10 175.27 1gef s SER 93 N -0.21 4.36 0.62 4.85 1.04 -1.26 -4.77 113.70 118.33 1gef s SER 93 Ca 0.52 1.14 0.37 0.00 0.48 0.00 0.00 55.95 58.46 1gef s SER 93 Cb -0.41 -1.82 2.08 0.00 0.10 0.00 0.00 66.02 65.98 1gef s SER 93 CO 0.51 -2.03 2.30 -0.65 0.98 0.00 0.00 173.24 174.34 1gef h PRO 94 N -1.14 0.00 -6.20 4.02 0.11 -2.00 -3.43 132.00 123.36 1gef h PRO 94 Ca -0.48 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.04 1gef h PRO 94 Cb 1.29 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.41 1gef h PRO 94 CO 0.61 0.01 1.26 1.63 -0.21 0.00 0.00 178.00 181.30 1gef n LYS 95 N -3.46 2.21 -3.27 1.05 4.01 -1.26 -4.93 118.16 112.51 1gef n LYS 95 Ca -0.03 0.76 -0.46 0.00 -0.51 0.00 0.00 58.31 58.07 1gef n LYS 95 Cb 0.09 -2.85 -0.05 0.00 -0.51 0.00 0.00 35.03 31.71 1gef n LYS 95 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1gef s ILE 96 N 5.46 5.14 0.27 -0.18 1.01 -1.26 -4.97 121.20 126.66 1gef s ILE 96 Ca 0.95 -1.43 -0.20 0.00 0.00 0.00 0.00 60.65 59.97 1gef s ILE 96 Cb -0.56 -4.38 0.06 0.00 0.01 0.00 0.00 42.46 37.59 1gef s ILE 96 CO 0.45 -0.93 0.88 -0.70 0.00 0.00 0.00 174.94 174.64 1gef s GLU 97 N 1.78 1.71 1.24 2.79 2.56 -1.26 -4.96 118.70 122.56 1gef s GLU 97 Ca 0.05 -1.06 -0.16 0.00 0.00 0.00 0.00 54.97 53.81 1gef s GLU 97 Cb -0.28 0.51 0.30 0.00 2.00 0.00 0.00 34.13 36.66 1gef s GLU 97 CO 0.03 -0.80 1.01 0.15 -0.56 0.00 0.00 175.26 175.09 1gef s LYS 98 N -2.68 -1.49 0.00 4.30 -0.14 -1.26 -4.29 119.74 114.18 1gef s LYS 98 Ca 0.16 0.50 0.00 0.00 -1.36 0.00 0.00 55.97 55.27 1gef s LYS 98 Cb -0.04 -1.51 0.00 0.00 -1.68 0.00 0.00 37.83 34.60 1gef s LYS 98 CO 0.07 -4.02 0.00 0.34 -0.76 0.00 0.00 175.35 170.99 1gef n PHE 99 N -5.08 0.00 -4.53 3.18 -0.00 -1.14 -4.92 117.46 104.97 1gef n PHE 99 Ca 0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.18 1gef n PHE 99 Cb 0.57 0.00 -0.14 0.00 -0.00 0.00 0.00 39.48 39.90 1gef n PHE 99 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1gef s VAL 100 N -1.67 3.06 -0.05 -2.13 1.01 -1.26 -1.13 120.40 118.23 1gef s VAL 100 Ca 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1gef s VAL 100 Cb 0.00 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1gef s VAL 100 CO 0.00 0.50 -0.15 -0.36 0.00 0.00 0.00 175.10 175.09 1gef s PHE 101 N 0.67 2.67 0.35 5.22 0.40 0.18 -4.94 117.98 122.53 1gef s PHE 101 Ca -0.06 -0.18 0.09 0.00 -0.60 0.00 0.00 56.93 56.18 1gef s PHE 101 Cb -0.15 -1.62 -0.06 0.00 0.51 0.00 0.00 43.02 41.69 1gef s PHE 101 CO 0.02 0.17 -0.08 0.95 0.70 0.00 0.00 175.22 176.98 1gef s THR 102 N -0.71 2.25 0.42 0.64 -4.23 -1.26 -0.85 115.64 111.90 1gef s THR 102 Ca 0.11 -2.18 0.11 0.00 -1.18 0.00 0.00 61.69 58.55 1gef s THR 102 Cb -0.11 -2.68 0.31 0.00 1.34 0.00 0.00 72.50 71.36 1gef s THR 102 CO 0.00 -0.19 2.00 1.55 -0.54 0.00 0.00 174.62 177.44 1gef h PRO 103 N 1.99 0.48 0.00 3.99 0.13 -1.96 0.29 132.00 136.92 1gef h PRO 103 Ca -0.42 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1gef h PRO 103 Cb 1.25 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1gef h PRO 103 CO 0.71 0.32 0.00 0.43 -0.23 0.00 0.00 178.00 179.23 1gef n SER 104 N -4.47 0.04 0.17 1.44 7.64 -1.26 -2.47 113.62 114.70 1gef n SER 104 Ca 0.08 0.51 0.10 0.00 1.01 0.00 0.00 58.87 60.57 1gef n SER 104 Cb 0.27 -0.52 0.09 0.00 -1.01 0.00 0.00 64.21 63.04 1gef n SER 104 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1gef h SER 105 N 0.00 0.00 -1.57 6.43 0.02 -0.80 -3.47 113.55 114.16 1gef h SER 105 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1gef h SER 105 Cb 0.24 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.69 1gef h SER 105 CO 0.00 0.11 -0.49 -0.83 -1.14 0.00 0.00 176.83 174.48 1gef s GLY 106 N -4.32 2.33 0.46 -3.77 0.00 -1.03 -4.88 107.32 96.11 1gef s GLY 106 Ca 0.04 -2.09 0.07 0.00 0.00 0.00 0.00 44.72 42.74 1gef s GLY 106 CO 0.72 -1.90 0.34 -1.34 0.00 0.00 0.00 173.10 170.92 1gef s VAL 107 N -2.60 2.20 0.69 1.40 -7.23 0.23 -4.73 120.40 110.36 1gef s VAL 107 Ca 0.41 -1.48 -0.10 0.00 -1.81 0.00 0.00 61.98 59.00 1gef s VAL 107 Cb 0.03 -2.68 0.03 0.00 0.56 0.00 0.00 36.38 34.32 1gef s VAL 107 CO 0.23 0.00 1.05 -0.94 -0.31 0.00 0.00 175.10 175.13 1gef s SER 108 N -4.13 5.28 0.27 4.85 1.04 -1.26 -0.74 113.70 119.00 1gef s SER 108 Ca 0.41 0.91 -0.03 0.00 0.48 0.00 0.00 55.95 57.72 1gef s SER 108 Cb -0.01 -1.69 0.38 0.00 0.10 0.00 0.00 66.02 64.79 1gef s SER 108 CO 0.24 -1.38 1.91 0.25 0.98 0.00 0.00 173.24 175.24 1gef h LEU 109 N -0.59 1.06 -0.32 2.42 5.85 -1.96 0.42 115.31 122.19 1gef h LEU 109 Ca -0.45 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.30 1gef h LEU 109 Cb 1.27 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1gef h LEU 109 CO 0.63 0.71 0.12 -0.33 -0.34 0.00 0.00 178.44 179.23 1gef h GLU 110 N 1.22 0.26 -0.44 1.25 3.07 -1.98 -1.19 114.58 116.77 1gef h GLU 110 Ca 0.40 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 59.10 1gef h GLU 110 Cb 0.05 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1gef h GLU 110 CO -0.13 0.17 -0.30 0.28 -1.40 0.00 0.00 179.01 177.63 1gef h VAL 111 N 0.27 1.27 -0.69 3.13 2.07 -1.77 -0.00 116.25 120.52 1gef h VAL 111 Ca 0.14 -1.47 0.10 0.00 0.82 0.00 0.00 66.70 66.29 1gef h VAL 111 Cb 0.10 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 1gef h VAL 111 CO -0.14 0.50 0.31 0.25 0.02 0.00 0.00 177.57 178.52 1gef h LEU 112 N 0.82 0.37 0.00 2.57 5.85 -0.54 0.96 115.31 125.34 1gef h LEU 112 Ca 0.09 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1gef h LEU 112 Cb 0.89 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1gef h LEU 112 CO 0.08 0.20 0.00 0.18 -0.34 0.00 0.00 178.44 178.56 1gef n LEU 113 N -4.92 0.00 -0.47 2.25 4.77 -0.48 -4.91 117.00 113.22 1gef n LEU 113 Ca 0.11 0.44 -0.04 0.00 -0.03 0.00 0.00 56.01 56.48 1gef n LEU 113 Cb 0.30 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1gef n LEU 113 CO 0.23 -0.02 -0.05 0.61 -1.33 0.00 0.00 177.39 176.82 1gef n GLY 114 N 1.29 0.27 0.24 -0.72 0.00 0.33 -4.94 105.19 101.67 1gef n GLY 114 Ca 0.09 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 1gef n GLY 114 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1gef h ILE 115 N 0.00 1.24 0.00 -0.61 1.08 -1.27 -2.71 117.51 115.24 1gef h ILE 115 Ca -0.10 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.29 1gef h ILE 115 Cb 0.96 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.95 1gef h ILE 115 CO 0.12 0.34 0.00 0.06 -0.69 0.00 0.00 178.15 177.99 1gef h GLN 116 N 0.40 0.00 -0.51 2.37 -0.00 -1.90 -2.83 115.11 112.64 1gef h GLN 116 Ca 0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 58.65 58.35 1gef h GLN 116 Cb 0.54 0.00 -0.36 0.00 -0.00 0.00 0.00 27.48 27.65 1gef h GLN 116 CO 0.03 0.00 -0.88 0.36 -0.00 0.00 0.00 178.83 178.34 1gef n LYS 117 N -2.35 2.57 -3.77 0.06 2.85 -1.02 -4.99 118.16 111.51 1gef n LYS 117 Ca -0.00 -3.72 -0.23 0.00 -1.05 0.00 0.00 58.31 53.30 1gef n LYS 117 Cb 0.12 -1.85 -0.17 0.00 -0.65 0.00 0.00 35.03 32.48 1gef n LYS 117 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gef s THR 118 N -3.88 0.40 0.22 0.58 2.01 -1.07 -5.03 115.64 108.86 1gef s THR 118 Ca 0.41 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.40 1gef s THR 118 Cb 0.38 -0.58 0.16 0.00 0.01 0.00 0.00 72.50 72.47 1gef s THR 118 CO -0.01 0.24 1.81 -0.07 -0.69 0.00 0.00 174.62 175.90 1gef h LEU 119 N 8.32 0.60 0.00 4.42 3.38 -1.94 -3.48 115.31 126.61 1gef h LEU 119 Ca -0.20 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1gef h LEU 119 Cb 1.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1gef h LEU 119 CO 0.27 0.38 0.00 -1.84 0.09 0.00 0.00 178.44 177.34