#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f5g n LEU 3 N 0.00 4.48 -4.75 -4.62 4.77 -1.26 -4.88 117.00 110.74 2f5g n LEU 3 Ca 0.00 1.18 -0.24 0.00 -0.03 0.00 0.00 56.01 56.91 2f5g n LEU 3 Cb 0.00 -1.60 -0.06 0.00 -2.33 0.00 0.00 43.42 39.43 2f5g n LEU 3 CO 0.00 0.14 -0.25 -0.54 -1.33 0.00 0.00 177.39 175.42 2f5g s LYS 4 N -1.07 2.69 0.25 3.23 1.02 0.48 -4.91 119.74 121.43 2f5g s LYS 4 Ca 0.60 -1.08 0.01 0.00 0.02 0.00 0.00 55.97 55.52 2f5g s LYS 4 Cb -0.49 -2.47 -0.05 0.00 -0.52 0.00 0.00 37.83 34.30 2f5g s LYS 4 CO 0.54 0.43 0.08 -1.12 -0.92 0.00 0.00 175.35 174.36 2f5g s SER 5 N -3.43 1.26 0.28 2.83 0.01 -1.26 -0.63 113.70 112.77 2f5g s SER 5 Ca 0.31 -1.36 -0.03 0.00 1.31 0.00 0.00 55.95 56.18 2f5g s SER 5 Cb -0.08 0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.30 2f5g s SER 5 CO 0.22 -0.70 0.43 1.07 0.41 0.00 0.00 173.24 174.67 2f5g n THR 6 N -0.45 0.00 -0.32 1.44 5.66 -0.22 -4.98 114.28 115.41 2f5g n THR 6 Ca -0.01 -1.30 0.04 0.00 -3.05 0.00 0.00 64.05 59.73 2f5g n THR 6 Cb 0.66 0.86 0.23 0.00 -1.55 0.00 0.00 70.33 70.53 2f5g n THR 6 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 2f5g h ARG 7 N 0.00 1.01 -0.22 1.09 2.43 -2.06 -3.23 114.38 113.40 2f5g h ARG 7 Ca -0.22 -0.06 -0.21 0.00 -0.81 0.00 0.00 59.98 58.68 2f5g h ARG 7 Cb 0.95 -0.23 -0.29 0.00 -0.42 0.00 0.00 29.97 29.98 2f5g h ARG 7 CO 0.30 0.67 -0.87 0.72 -1.51 0.00 0.00 179.97 179.28 2f5g n HIS 8 N -4.50 0.74 -3.61 2.20 8.25 -1.26 -5.08 115.22 111.96 2f5g n HIS 8 Ca 0.15 -1.42 -0.15 0.00 -0.26 0.00 0.00 57.72 56.03 2f5g n HIS 8 Cb 0.22 -0.23 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 2f5g n HIS 8 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2f5g s THR 9 N -2.50 0.01 -0.10 1.59 2.01 -1.22 -5.13 115.64 110.29 2f5g s THR 9 Ca 0.37 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.32 2f5g s THR 9 Cb 0.37 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 72.00 2f5g s THR 9 CO -0.08 -0.03 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.18 2f5g s LYS 10 N -0.45 1.71 0.07 4.92 -0.14 -1.26 -1.06 119.74 123.53 2f5g s LYS 10 Ca -0.06 -0.36 -0.14 0.00 -1.36 0.00 0.00 55.97 54.05 2f5g s LYS 10 Cb -0.03 -1.59 0.02 0.00 -1.68 0.00 0.00 37.83 34.55 2f5g s LYS 10 CO 0.05 -0.14 0.33 1.52 -0.76 0.00 0.00 175.35 176.34 2f5g s TYR 11 N 1.26 -0.12 -0.32 3.18 -0.85 0.20 -4.96 117.35 115.74 2f5g s TYR 11 Ca -0.03 -0.07 0.03 0.00 -0.52 0.00 0.00 57.07 56.48 2f5g s TYR 11 Cb -0.14 0.13 0.16 0.00 0.38 0.00 0.00 41.96 42.49 2f5g s TYR 11 CO -0.04 -0.56 0.41 -1.17 -1.52 0.00 0.00 175.55 172.67 2f5g s LEU 12 N -2.31 -0.59 -0.33 -3.49 0.20 -1.26 -0.39 118.68 110.51 2f5g s LEU 12 Ca -0.02 -0.81 0.01 0.00 0.69 0.00 0.00 54.13 54.01 2f5g s LEU 12 Cb 0.00 0.97 0.08 0.00 -0.43 0.00 0.00 46.19 46.82 2f5g s LEU 12 CO -0.06 -0.31 0.03 0.00 -0.29 0.00 0.00 176.35 175.72 2f5g s ASN 14 N 1.19 4.49 0.02 0.00 0.01 -1.26 -0.60 114.94 118.79 2f5g s ASN 14 Ca 0.03 -0.09 0.01 0.00 -0.71 0.00 0.00 52.86 52.10 2f5g s ASN 14 Cb -0.20 -1.22 -0.01 0.00 0.41 0.00 0.00 41.25 40.23 2f5g s ASN 14 CO -0.05 0.32 -0.04 -0.31 -1.51 0.00 0.00 177.10 175.50 2f5g s TYR 15 N -0.56 0.39 -0.23 2.20 1.51 -0.20 -1.17 117.35 119.30 2f5g s TYR 15 Ca 0.08 -0.28 -0.10 0.00 -1.01 0.00 0.00 57.07 55.77 2f5g s TYR 15 Cb -0.12 -0.25 -0.05 0.00 -0.11 0.00 0.00 41.96 41.44 2f5g s TYR 15 CO 0.02 -0.06 0.13 -1.01 -1.11 0.00 0.00 175.55 173.52 2f5g s HIS 16 N -0.73 3.29 -0.08 2.71 3.76 0.35 -1.24 115.29 123.35 2f5g s HIS 16 Ca -0.05 0.15 0.05 0.00 -0.15 0.00 0.00 55.06 55.06 2f5g s HIS 16 Cb -0.06 -2.23 -0.00 0.00 1.11 0.00 0.00 32.58 31.40 2f5g s HIS 16 CO -0.00 0.06 -0.24 -0.06 -0.85 0.00 0.00 174.74 173.65 2f5g s PHE 17 N 0.93 2.52 -0.02 1.40 0.40 0.12 -1.44 117.98 121.89 2f5g s PHE 17 Ca 0.07 -0.90 0.01 0.00 -0.60 0.00 0.00 56.93 55.51 2f5g s PHE 17 Cb -0.13 -1.67 0.01 0.00 0.51 0.00 0.00 43.02 41.74 2f5g s PHE 17 CO 0.03 -0.33 -0.05 0.08 0.70 0.00 0.00 175.22 175.66 2f5g s VAL 18 N 0.13 0.46 0.20 -0.44 1.01 -0.37 -0.42 120.40 120.99 2f5g s VAL 18 Ca -0.12 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 2f5g s VAL 18 Cb -0.16 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.79 2f5g s VAL 18 CO 0.07 0.17 0.53 -1.66 0.00 0.00 0.00 175.10 174.21 2f5g s TRP 19 N 0.43 -0.09 0.14 5.22 -2.14 -0.95 -0.60 118.94 120.95 2f5g s TRP 19 Ca -0.05 -0.26 0.07 0.00 2.66 0.00 0.00 56.10 58.52 2f5g s TRP 19 Cb -0.09 0.39 -0.04 0.00 -3.10 0.00 0.00 33.47 30.63 2f5g s TRP 19 CO -0.00 -0.94 -0.16 0.96 -2.66 0.00 0.00 176.95 174.16 2f5g s ILE 20 N -3.88 1.55 1.02 0.66 -4.36 -1.26 -1.15 121.20 113.77 2f5g s ILE 20 Ca 0.10 -1.84 -0.12 0.00 -0.26 0.00 0.00 60.65 58.54 2f5g s ILE 20 Cb -0.01 -1.70 0.20 0.00 1.25 0.00 0.00 42.46 42.20 2f5g s ILE 20 CO -0.02 -0.39 1.08 -2.84 0.24 0.00 0.00 174.94 173.01 2f5g s PRO 21 N -2.81 0.26 -0.03 0.37 0.02 -1.26 -3.20 135.00 128.35 2f5g s PRO 21 Ca 0.13 0.90 -0.00 0.00 0.02 0.00 0.00 61.00 62.04 2f5g s PRO 21 Cb -0.05 -1.69 -0.26 0.00 0.02 0.00 0.00 34.50 32.52 2f5g s PRO 21 CO 0.05 -2.95 0.72 -0.22 -0.33 0.00 0.00 177.00 174.27 2f5g h LYS 22 N -2.07 0.19 0.00 5.54 3.64 -1.14 -3.43 116.57 119.31 2f5g h LYS 22 Ca -0.54 -0.33 -0.23 0.00 -1.27 0.00 0.00 60.65 58.28 2f5g h LYS 22 Cb 1.31 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.21 2f5g h LYS 22 CO 0.51 1.00 -1.84 0.72 -2.27 0.00 0.00 179.45 177.58 2f5g n HIS 23 N -3.37 0.00 -4.26 1.91 8.25 -1.26 -4.96 115.22 111.53 2f5g n HIS 23 Ca -0.19 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.07 2f5g n HIS 23 Cb 1.04 -0.56 -0.13 0.00 1.12 0.00 0.00 29.99 31.47 2f5g n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2f5g s ARG 24 N -2.29 0.91 0.00 -0.41 0.52 -1.26 -5.03 118.95 111.39 2f5g s ARG 24 Ca -0.20 -0.91 0.30 0.00 -0.52 0.00 0.00 55.73 54.39 2f5g s ARG 24 Cb 0.06 -0.95 1.38 0.00 0.52 0.00 0.00 34.95 35.96 2f5g s ARG 24 CO 0.32 0.22 1.95 0.54 0.02 0.00 0.00 175.30 178.35 2f5g n ARG 25 N 1.49 0.71 -1.87 3.54 1.74 -1.26 -3.54 116.66 117.46 2f5g n ARG 25 Ca -0.20 -0.18 -0.23 0.00 -0.77 0.00 0.00 57.85 56.48 2f5g n ARG 25 Cb 0.54 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.52 2f5g n ARG 25 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2f5g n ASN 26 N -0.99 4.90 -0.03 0.55 2.85 -1.26 -2.41 115.26 118.86 2f5g n ASN 26 Ca 0.16 -3.76 -0.11 0.00 -0.11 0.00 0.00 54.58 50.76 2f5g n ASN 26 Cb 0.25 -0.40 -0.09 0.00 1.24 0.00 0.00 39.78 40.77 2f5g n ASN 26 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 2f5g h THR 27 N 2.01 1.27 -1.34 -0.44 2.02 -1.55 -3.41 112.91 111.47 2f5g h THR 27 Ca 0.36 -1.74 -0.71 0.00 0.77 0.00 0.00 66.41 65.10 2f5g h THR 27 Cb 1.46 2.31 -0.12 0.00 -1.74 0.00 0.00 68.15 70.06 2f5g h THR 27 CO 0.77 0.40 1.92 0.18 0.37 0.00 0.00 175.52 179.15 2f5g n LEU 28 N -4.73 5.20 -4.22 2.58 4.77 -0.92 -4.77 117.00 114.90 2f5g n LEU 28 Ca -0.08 -4.16 -0.13 0.00 -0.03 0.00 0.00 56.01 51.61 2f5g n LEU 28 Cb 0.33 -1.69 -0.10 0.00 -2.33 0.00 0.00 43.42 39.64 2f5g n LEU 28 CO 0.27 0.46 -0.36 0.68 -1.33 0.00 0.00 177.39 177.11 2f5g s VAL 29 N 3.02 0.73 0.00 4.08 -7.23 -1.26 -3.49 120.40 116.24 2f5g s VAL 29 Ca 0.49 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2f5g s VAL 29 Cb 0.02 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 35.00 2f5g s VAL 29 CO 0.04 -0.62 0.00 0.59 -0.31 0.00 0.00 175.10 174.80 2f5g n ASN 30 N -0.18 0.00 -0.03 4.85 3.02 -1.26 -1.43 115.26 120.23 2f5g n ASN 30 Ca -0.09 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.55 2f5g n ASN 30 Cb 0.62 0.00 0.48 0.00 -0.61 0.00 0.00 39.78 40.27 2f5g n ASN 30 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2f5g h GLU 31 N 0.00 0.43 -0.21 3.52 3.07 -1.99 -1.34 114.58 118.06 2f5g h GLU 31 Ca 0.00 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 2f5g h GLU 31 Cb 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 2f5g h GLU 31 CO 0.00 0.28 0.09 0.82 -1.40 0.00 0.00 179.01 178.80 2f5g h ILE 32 N 0.44 1.15 -0.74 3.13 2.04 -1.59 -0.99 117.51 120.95 2f5g h ILE 32 Ca 0.21 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 2f5g h ILE 32 Cb 0.29 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2f5g h ILE 32 CO -0.06 0.15 0.25 0.00 0.00 0.00 0.00 178.15 178.49 2f5g h ALA 33 N 0.94 0.97 -0.60 1.87 0.00 -0.83 -0.72 119.26 120.90 2f5g h ALA 33 Ca 0.07 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2f5g h ALA 33 Cb 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2f5g h ALA 33 CO -0.01 0.63 0.07 1.05 0.00 0.00 0.00 179.25 181.00 2f5g h GLU 34 N 1.09 1.00 -0.31 0.00 4.11 -1.04 -1.73 114.58 117.71 2f5g h GLU 34 Ca 0.24 -0.28 -0.12 0.00 0.07 0.00 0.00 59.36 59.27 2f5g h GLU 34 Cb 0.28 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2f5g h GLU 34 CO -0.01 0.96 -0.31 -0.92 0.07 0.00 0.00 179.01 178.79 2f5g h TYR 35 N 0.90 0.76 -0.65 2.06 3.20 -0.99 -2.11 116.97 120.14 2f5g h TYR 35 Ca 0.18 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2f5g h TYR 35 Cb 0.45 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 2f5g h TYR 35 CO 0.03 0.89 0.41 1.15 -1.64 0.00 0.00 178.16 179.00 2f5g h THR 36 N 0.56 1.18 -0.45 1.81 2.02 -0.78 0.08 112.91 117.33 2f5g h THR 36 Ca 0.07 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 2f5g h THR 36 Cb 0.81 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2f5g h THR 36 CO 0.07 0.17 0.22 0.11 0.37 0.00 0.00 175.52 176.46 2f5g h LYS 37 N 0.88 0.64 -0.17 6.66 1.57 -1.08 -1.32 116.57 123.74 2f5g h LYS 37 Ca 0.23 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2f5g h LYS 37 Cb -0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2f5g h LYS 37 CO -0.05 0.54 0.07 1.49 -0.57 0.00 0.00 179.45 180.94 2f5g h GLU 38 N 0.58 0.16 -0.21 3.15 4.81 -0.90 -1.48 114.58 120.68 2f5g h GLU 38 Ca 0.15 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 2f5g h GLU 38 Cb 0.11 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2f5g h GLU 38 CO -0.02 0.10 -0.38 -0.39 -0.73 0.00 0.00 179.01 177.59 2f5g h VAL 39 N 0.16 1.30 -0.40 0.32 -1.51 -0.86 -1.56 116.25 113.69 2f5g h VAL 39 Ca 0.07 -1.51 -0.11 0.00 -1.23 0.00 0.00 66.70 63.92 2f5g h VAL 39 Cb 0.03 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 2f5g h VAL 39 CO -0.06 0.47 -0.20 -0.07 -1.23 0.00 0.00 177.57 176.48 2f5g h LEU 40 N 0.39 0.80 -0.48 4.19 3.38 -1.08 -0.72 115.31 121.79 2f5g h LEU 40 Ca 0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2f5g h LEU 40 Cb 0.84 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2f5g h LEU 40 CO 0.07 0.98 0.15 0.11 0.09 0.00 0.00 178.44 179.84 2f5g h LYS 41 N 0.69 0.75 -0.80 1.13 1.57 -1.05 -1.43 116.57 117.43 2f5g h LYS 41 Ca 0.10 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 2f5g h LYS 41 Cb 0.71 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 2f5g h LYS 41 CO 0.05 0.71 0.31 1.03 -0.57 0.00 0.00 179.45 180.99 2f5g h SER 42 N 0.65 1.10 -0.39 0.86 0.87 -1.03 -2.26 113.55 113.36 2f5g h SER 42 Ca 0.16 -0.18 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 2f5g h SER 42 Cb 0.27 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2f5g h SER 42 CO -0.00 0.98 -0.15 0.40 -0.53 0.00 0.00 176.83 177.52 2f5g h ILE 43 N 1.16 1.27 -0.14 2.23 2.04 -0.93 -1.88 117.51 121.26 2f5g h ILE 43 Ca 0.26 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.87 2f5g h ILE 43 Cb 0.23 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2f5g h ILE 43 CO -0.02 0.43 0.09 0.00 0.00 0.00 0.00 178.15 178.65 2f5g h ALA 44 N 1.06 0.18 -0.12 1.87 0.00 -0.89 -2.02 119.26 119.34 2f5g h ALA 44 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2f5g h ALA 44 Cb 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2f5g h ALA 44 CO 0.05 -0.34 -0.24 1.49 0.00 0.00 0.00 179.25 180.21 2f5g h GLU 45 N 0.18 0.21 -0.51 0.00 4.57 -1.31 0.21 114.58 117.92 2f5g h GLU 45 Ca 0.05 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2f5g h GLU 45 Cb -0.01 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 2f5g h GLU 45 CO -0.02 0.44 0.22 1.49 -1.18 0.00 0.00 179.01 179.96 2f5g h GLU 46 N 0.19 0.73 -0.42 1.92 4.81 -0.81 -2.15 114.58 118.84 2f5g h GLU 46 Ca 0.03 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2f5g h GLU 46 Cb 0.53 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2f5g h GLU 46 CO 0.04 0.59 0.00 1.28 -0.73 0.00 0.00 179.01 180.19 2f5g n LEU 47 N -4.35 2.66 -1.23 1.64 4.77 -0.80 -4.92 117.00 114.77 2f5g n LEU 47 Ca 0.04 -1.26 -0.13 0.00 -0.03 0.00 0.00 56.01 54.64 2f5g n LEU 47 Cb 0.15 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2f5g n LEU 47 CO 0.38 0.63 -0.14 0.61 -1.33 0.00 0.00 177.39 177.53 2f5g n GLY 48 N 1.32 0.51 3.91 -0.72 0.00 -0.81 -4.73 105.19 104.67 2f5g n GLY 48 Ca 0.17 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 2f5g n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f5g s GLU 50 N -2.53 2.94 -0.00 0.00 2.12 0.01 -4.04 118.70 117.20 2f5g s GLU 50 Ca 0.36 -0.92 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 2f5g s GLU 50 Cb -0.13 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 2f5g s GLU 50 CO 0.27 -0.40 1.26 0.42 -0.54 0.00 0.00 175.26 176.27 2f5g s ILE 51 N 1.38 4.01 -0.16 -3.70 1.01 -1.26 -0.72 121.20 121.76 2f5g s ILE 51 Ca 0.01 1.40 -0.12 0.00 0.00 0.00 0.00 60.65 61.94 2f5g s ILE 51 Cb -0.17 -3.90 -0.23 0.00 0.01 0.00 0.00 42.46 38.18 2f5g s ILE 51 CO -0.03 0.03 0.26 -0.38 0.00 0.00 0.00 174.94 174.83 2f5g n ILE 52 N 4.40 1.68 -3.66 2.92 5.41 0.52 -4.94 119.36 125.69 2f5g n ILE 52 Ca 0.11 -0.41 -0.14 0.00 1.00 0.00 0.00 62.75 63.30 2f5g n ILE 52 Cb 0.45 -1.84 -0.08 0.00 -0.71 0.00 0.00 39.64 37.46 2f5g n ILE 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2f5g s ALA 53 N -2.48 -1.43 -0.06 -1.39 0.00 -0.95 -5.02 121.76 110.42 2f5g s ALA 53 Ca -0.26 1.46 -0.02 0.00 0.00 0.00 0.00 51.96 53.14 2f5g s ALA 53 Cb 0.07 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.53 2f5g s ALA 53 CO 0.69 -0.29 0.05 -1.17 0.00 0.00 0.00 175.76 175.04 2f5g s LEU 54 N -0.10 0.25 -0.26 0.00 2.96 -1.26 -0.77 118.68 119.50 2f5g s LEU 54 Ca -0.03 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 2f5g s LEU 54 Cb -0.03 -0.20 -0.00 0.00 0.50 0.00 0.00 46.19 46.45 2f5g s LEU 54 CO 0.03 -0.26 0.02 -1.61 -1.32 0.00 0.00 176.35 173.21 2f5g s GLU 55 N 2.13 3.25 -0.54 1.98 2.02 0.05 -4.99 118.70 122.59 2f5g s GLU 55 Ca 0.05 -0.73 -0.06 0.00 0.02 0.00 0.00 54.97 54.24 2f5g s GLU 55 Cb -0.13 -3.20 0.14 0.00 0.10 0.00 0.00 34.13 31.04 2f5g s GLU 55 CO -0.04 -0.32 0.38 0.08 0.02 0.00 0.00 175.26 175.39 2f5g s VAL 56 N 1.49 3.98 0.31 2.63 1.01 -1.26 -1.51 120.40 127.05 2f5g s VAL 56 Ca 0.04 -2.27 0.06 0.00 0.00 0.00 0.00 61.98 59.80 2f5g s VAL 56 Cb -0.16 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2f5g s VAL 56 CO 0.00 -0.81 0.45 -0.04 0.00 0.00 0.00 175.10 174.69 2f5g s MET 57 N 0.76 3.23 0.33 2.72 -1.94 -0.23 -5.01 119.30 119.16 2f5g s MET 57 Ca 0.11 -0.89 0.08 0.00 -1.71 0.00 0.00 55.69 53.28 2f5g s MET 57 Cb -0.22 -2.83 0.78 0.00 2.01 0.00 0.00 34.83 34.57 2f5g s MET 57 CO -0.03 0.17 1.81 -1.35 -0.01 0.00 0.00 175.02 175.61 2f5g h PRO 58 N 0.96 0.71 -0.19 2.03 0.11 -1.81 -2.99 132.00 130.81 2f5g h PRO 58 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2f5g h PRO 58 Cb 1.25 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2f5g h PRO 58 CO 0.56 0.47 0.00 -0.40 -0.21 0.00 0.00 178.00 178.42 2f5g n ASP 59 N -4.67 2.81 -3.60 -2.05 5.75 -1.01 -2.16 116.55 111.61 2f5g n ASP 59 Ca 0.21 -2.35 -0.03 0.00 -0.01 0.00 0.00 54.79 52.61 2f5g n ASP 59 Cb 0.55 -0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 40.36 2f5g n ASP 59 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2f5g s HIS 60 N -1.62 -0.11 -0.05 2.11 -3.43 -1.13 -4.27 115.29 106.78 2f5g s HIS 60 Ca 0.22 0.03 0.05 0.00 -0.80 0.00 0.00 55.06 54.57 2f5g s HIS 60 Cb 0.16 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.83 2f5g s HIS 60 CO 0.09 -0.25 -0.20 0.42 -2.00 0.00 0.00 174.74 172.79 2f5g s ILE 61 N -2.47 1.67 -0.26 -5.38 1.09 -0.30 -1.06 121.20 114.48 2f5g s ILE 61 Ca 0.11 -0.85 0.01 0.00 -1.10 0.00 0.00 60.65 58.82 2f5g s ILE 61 Cb 0.01 -1.42 0.07 0.00 -1.06 0.00 0.00 42.46 40.06 2f5g s ILE 61 CO -0.04 0.47 -0.01 -2.28 -0.10 0.00 0.00 174.94 172.98 2f5g s HIS 62 N -0.03 2.38 -0.24 3.97 2.46 -0.57 -2.24 115.29 121.01 2f5g s HIS 62 Ca -0.04 -1.85 -0.05 0.00 0.47 0.00 0.00 55.06 53.59 2f5g s HIS 62 Cb -0.12 -1.73 -0.01 0.00 -0.13 0.00 0.00 32.58 30.59 2f5g s HIS 62 CO 0.03 -0.80 0.01 -1.17 -2.47 0.00 0.00 174.74 170.33 2f5g s LEU 63 N 1.40 3.20 -0.29 8.88 2.96 0.44 -0.77 118.68 134.50 2f5g s LEU 63 Ca -0.01 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.44 2f5g s LEU 63 Cb -0.19 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.72 2f5g s LEU 63 CO -0.09 -0.06 0.03 0.12 -1.32 0.00 0.00 176.35 175.03 2f5g s PHE 64 N 1.51 3.15 0.02 5.38 5.36 0.05 0.13 117.98 133.59 2f5g s PHE 64 Ca 0.05 -1.34 0.00 0.00 -0.96 0.00 0.00 56.93 54.68 2f5g s PHE 64 Cb -0.15 -2.17 -0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2f5g s PHE 64 CO -0.01 -0.68 -0.04 0.08 -1.46 0.00 0.00 175.22 173.12 2f5g s VAL 65 N 1.40 0.17 -0.23 3.12 1.01 -0.37 -0.35 120.40 125.15 2f5g s VAL 65 Ca 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 2f5g s VAL 65 Cb -0.18 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 2f5g s VAL 65 CO -0.00 -0.47 0.23 0.21 0.00 0.00 0.00 175.10 175.07 2f5g s ASN 66 N -1.45 6.22 0.13 3.32 3.84 0.10 -1.03 114.94 126.07 2f5g s ASN 66 Ca -0.15 0.24 0.05 0.00 0.21 0.00 0.00 52.86 53.21 2f5g s ASN 66 Cb -0.10 -2.14 -0.04 0.00 -0.55 0.00 0.00 41.25 38.42 2f5g s ASN 66 CO -0.01 0.02 -0.11 0.00 -2.79 0.00 0.00 177.10 174.21 2f5g s PRO 68 N -3.22 3.19 0.00 0.00 0.02 -1.26 -4.24 135.00 129.49 2f5g s PRO 68 Ca 0.12 1.89 0.14 0.00 0.02 0.00 0.00 61.00 63.16 2f5g s PRO 68 Cb -0.01 -2.10 0.63 0.00 0.02 0.00 0.00 34.50 33.04 2f5g s PRO 68 CO 0.01 -1.04 1.41 -0.35 -0.33 0.00 0.00 177.00 176.70 2f5g n PRO 69 N -1.23 0.07 0.00 5.54 -0.04 -1.26 -3.01 135.00 135.08 2f5g n PRO 69 Ca 0.12 0.22 0.09 0.00 -0.04 0.00 0.00 63.50 63.89 2f5g n PRO 69 Cb 0.48 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.87 2f5g n PRO 69 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2f5g n ARG 70 N -1.42 0.06 -4.30 0.54 1.85 -1.26 -4.77 116.66 107.36 2f5g n ARG 70 Ca 0.05 0.15 -0.34 0.00 -1.00 0.00 0.00 57.85 56.70 2f5g n ARG 70 Cb 0.14 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.95 2f5g n ARG 70 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2f5g s TYR 71 N -2.91 3.15 0.32 2.89 2.02 -1.16 -5.10 117.35 116.55 2f5g s TYR 71 Ca 0.11 0.04 -0.22 0.00 -0.37 0.00 0.00 57.07 56.64 2f5g s TYR 71 Cb 0.13 -1.89 -0.10 0.00 -0.40 0.00 0.00 41.96 39.70 2f5g s TYR 71 CO 0.34 0.27 0.86 0.00 -1.57 0.00 0.00 175.55 175.45 2f5g s ALA 72 N -0.30 3.25 0.27 3.71 0.00 -1.26 -4.92 121.76 122.51 2f5g s ALA 72 Ca 0.06 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.36 2f5g s ALA 72 Cb -0.12 -3.02 0.60 0.00 0.00 0.00 0.00 23.12 20.57 2f5g s ALA 72 CO 0.02 0.23 1.75 -1.35 0.00 0.00 0.00 175.76 176.41 2f5g h PRO 73 N 2.86 0.59 -0.64 0.00 0.11 -1.99 0.03 132.00 132.96 2f5g h PRO 73 Ca -0.48 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2f5g h PRO 73 Cb 1.19 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2f5g h PRO 73 CO 0.64 0.39 0.19 0.77 -0.21 0.00 0.00 178.00 179.79 2f5g h SER 74 N 0.61 0.90 -0.38 -2.05 0.02 -1.99 -0.03 113.55 110.63 2f5g h SER 74 Ca 0.50 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 2f5g h SER 74 Cb 0.76 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2f5g h SER 74 CO -0.39 0.85 0.10 0.22 -1.14 0.00 0.00 176.83 176.47 2f5g h TYR 75 N 0.94 0.63 -0.08 3.45 3.20 -1.42 -1.78 116.97 121.91 2f5g h TYR 75 Ca 0.21 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2f5g h TYR 75 Cb 0.28 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 2f5g h TYR 75 CO 0.02 0.61 0.03 -0.07 -1.64 0.00 0.00 178.16 177.11 2f5g h LEU 76 N 0.47 0.11 -0.39 2.82 3.38 -0.93 -0.80 115.31 119.97 2f5g h LEU 76 Ca 0.12 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2f5g h LEU 76 Cb 0.29 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2f5g h LEU 76 CO -0.00 0.25 0.14 0.00 0.09 0.00 0.00 178.44 178.92 2f5g h ALA 77 N 0.87 0.45 0.00 1.53 0.00 -0.94 -0.32 119.26 120.85 2f5g h ALA 77 Ca 0.03 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2f5g h ALA 77 Cb 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2f5g h ALA 77 CO -0.00 -0.25 -0.35 -0.91 0.00 0.00 0.00 179.25 177.74 2f5g h ASN 78 N 0.29 0.00 -0.00 0.00 2.35 -1.25 -0.32 115.58 116.66 2f5g h ASN 78 Ca 0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2f5g h ASN 78 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2f5g h ASN 78 CO -0.18 0.35 -0.02 0.22 -1.65 0.00 0.00 177.43 176.15 2f5g h TYR 79 N 0.00 0.02 -0.32 1.19 3.20 -0.55 0.15 116.97 120.66 2f5g h TYR 79 Ca -0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 2f5g h TYR 79 Cb 0.80 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 2f5g h TYR 79 CO 0.00 0.68 0.19 0.74 -1.64 0.00 0.00 178.16 178.13 2f5g h PHE 80 N -0.64 0.43 -0.03 -3.82 0.04 -1.01 -1.26 116.94 110.64 2f5g h PHE 80 Ca -0.00 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2f5g h PHE 80 Cb 0.68 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.69 2f5g h PHE 80 CO 0.16 0.32 -0.04 0.87 -0.60 0.00 0.00 178.31 179.01 2f5g h LYS 81 N 0.42 0.08 -0.27 1.51 1.57 -1.11 -2.46 116.57 116.29 2f5g h LYS 81 Ca 0.12 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2f5g h LYS 81 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2f5g h LYS 81 CO -0.02 0.60 0.13 0.78 -0.57 0.00 0.00 179.45 180.37 2f5g h GLY 82 N -0.44 0.42 1.38 3.86 0.00 -0.71 -0.93 103.07 106.66 2f5g h GLY 82 Ca 0.00 -0.21 -0.19 0.00 0.00 0.00 0.00 47.33 46.93 2f5g h GLY 82 CO 0.01 0.20 -0.65 1.70 0.00 0.00 0.00 176.54 177.80 2f5g h LYS 83 N 0.30 0.63 -0.52 4.80 3.64 -1.35 -2.62 116.57 121.45 2f5g h LYS 83 Ca 0.09 -0.45 -0.11 0.00 -1.27 0.00 0.00 60.65 58.91 2f5g h LYS 83 Cb 0.13 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2f5g h LYS 83 CO -0.01 1.07 -0.10 0.66 -2.27 0.00 0.00 179.45 178.80 2f5g h SER 84 N 0.46 0.97 -0.61 4.20 4.64 -1.41 -2.35 113.55 119.45 2f5g h SER 84 Ca -0.02 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 2f5g h SER 84 Cb 1.24 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 63.04 2f5g h SER 84 CO 0.13 1.08 0.31 0.00 -0.87 0.00 0.00 176.83 177.47 2f5g h ALA 85 N 1.01 0.79 -0.20 5.18 0.00 -1.13 0.58 119.26 125.48 2f5g h ALA 85 Ca 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2f5g h ALA 85 Cb 0.65 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2f5g h ALA 85 CO 0.04 0.33 0.12 -0.09 0.00 0.00 0.00 179.25 179.65 2f5g h ARG 86 N 0.83 0.28 -0.30 0.00 1.12 -1.29 -0.91 114.38 114.11 2f5g h ARG 86 Ca 0.21 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 59.01 2f5g h ARG 86 Cb 0.09 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.98 2f5g h ARG 86 CO -0.03 0.24 0.02 -0.07 -3.11 0.00 0.00 179.97 177.02 2f5g h LEU 87 N 0.23 0.50 -0.49 3.80 3.38 -1.21 -1.86 115.31 119.66 2f5g h LEU 87 Ca 0.07 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 2f5g h LEU 87 Cb 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2f5g h LEU 87 CO -0.01 0.67 0.07 0.40 0.09 0.00 0.00 178.44 179.66 2f5g h ILE 88 N 0.32 1.25 -0.10 1.22 2.04 -0.82 -1.85 117.51 119.57 2f5g h ILE 88 Ca 0.09 -0.94 -0.11 0.00 1.00 0.00 0.00 64.86 64.90 2f5g h ILE 88 Cb 0.40 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2f5g h ILE 88 CO 0.01 0.33 -0.43 -0.07 0.00 0.00 0.00 178.15 178.00 2f5g h LEU 89 N 0.69 0.25 -0.64 1.44 3.38 -1.18 -2.08 115.31 117.16 2f5g h LEU 89 Ca 0.15 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2f5g h LEU 89 Cb 0.41 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2f5g h LEU 89 CO 0.01 0.66 -0.28 0.50 0.09 0.00 0.00 178.44 179.42 2f5g h LYS 90 N 0.20 0.76 0.03 1.13 3.64 -1.11 -3.28 116.57 117.94 2f5g h LYS 90 Ca 0.02 -0.33 -0.26 0.00 -1.27 0.00 0.00 60.65 58.80 2f5g h LYS 90 Cb 0.85 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2f5g h LYS 90 CO 0.07 0.95 -1.06 -0.22 -2.27 0.00 0.00 179.45 176.91 2f5g h LYS 91 N 0.65 0.59 -4.31 1.90 3.64 -1.14 -3.42 116.57 114.48 2f5g h LYS 91 Ca 0.08 -0.67 -0.70 0.00 -1.27 0.00 0.00 60.65 58.09 2f5g h LYS 91 Cb 0.80 0.20 -0.34 0.00 -0.41 0.00 0.00 32.23 32.48 2f5g h LYS 91 CO 0.07 1.27 -0.50 -0.06 -2.27 0.00 0.00 179.45 177.96 2f5g s PHE 92 N -3.22 3.54 0.52 1.91 0.40 -0.80 -4.96 117.98 115.37 2f5g s PHE 92 Ca -0.08 -2.39 0.21 0.00 -0.60 0.00 0.00 56.93 54.06 2f5g s PHE 92 Cb 0.07 -3.26 1.40 0.00 0.51 0.00 0.00 43.02 41.74 2f5g s PHE 92 CO 0.91 -0.96 2.14 -1.00 0.70 0.00 0.00 175.22 177.02 2f5g h PRO 93 N 7.94 0.00 0.00 0.24 0.13 -1.82 -2.40 132.00 136.09 2f5g h PRO 93 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2f5g h PRO 93 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2f5g h PRO 93 CO 0.72 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.54 2f5g n GLN 94 N -4.21 0.03 -2.39 0.86 10.64 -1.26 -4.74 117.38 116.31 2f5g n GLN 94 Ca -0.03 0.18 -0.42 0.00 -1.83 0.00 0.00 57.00 54.90 2f5g n GLN 94 Cb 0.13 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 27.98 2f5g n GLN 94 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2f5g s LEU 95 N -2.95 4.33 0.24 2.61 1.43 -0.90 -4.97 118.68 118.47 2f5g s LEU 95 Ca 0.10 1.98 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 2f5g s LEU 95 Cb 0.12 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.68 2f5g s LEU 95 CO 0.33 -0.55 1.14 0.20 0.23 0.00 0.00 176.35 177.69 2f5g s ASN 96 N 1.32 7.18 0.41 2.29 0.01 -1.26 -4.92 114.94 119.97 2f5g s ASN 96 Ca 0.59 2.26 0.00 0.00 -0.71 0.00 0.00 52.86 55.00 2f5g s ASN 96 Cb -0.28 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.76 2f5g s ASN 96 CO 0.26 -0.24 0.00 0.29 -1.51 0.00 0.00 177.10 175.90 2f5g n LYS 97 N 1.70 -1.01 0.05 -0.60 5.02 -1.26 -4.43 118.16 117.63 2f5g n LYS 97 Ca 0.01 0.66 0.12 0.00 -2.02 0.00 0.00 58.31 57.08 2f5g n LYS 97 Cb 0.45 -1.23 0.20 0.00 -0.02 0.00 0.00 35.03 34.43 2f5g n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f5g n GLY 98 N -1.66 -1.39 3.37 0.72 0.00 -1.26 -4.84 105.19 100.12 2f5g n GLY 98 Ca 0.00 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 2f5g n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f5g s LYS 99 N -3.13 3.40 -0.18 1.61 -0.14 -1.26 -4.99 119.74 115.04 2f5g s LYS 99 Ca 0.07 -0.67 -0.05 0.00 -1.36 0.00 0.00 55.97 53.96 2f5g s LYS 99 Cb 0.14 -2.69 -0.22 0.00 -1.68 0.00 0.00 37.83 33.39 2f5g s LYS 99 CO 0.71 0.17 0.10 -0.11 -0.76 0.00 0.00 175.35 175.46 2f5g n LEU 100 N 3.67 2.67 -4.83 3.17 7.94 -1.26 -4.79 117.00 123.56 2f5g n LEU 100 Ca -0.18 0.11 -0.22 0.00 -1.11 0.00 0.00 56.01 54.61 2f5g n LEU 100 Cb 0.52 -1.02 -0.04 0.00 0.53 0.00 0.00 43.42 43.41 2f5g n LEU 100 CO 0.31 0.83 -0.12 0.26 -1.11 0.00 0.00 177.39 177.55 2f5g s TRP 101 N -2.53 2.97 0.74 1.96 0.52 -1.26 -0.60 118.94 120.74 2f5g s TRP 101 Ca -0.28 -0.23 -0.08 0.00 0.02 0.00 0.00 56.10 55.53 2f5g s TRP 101 Cb 0.08 -1.63 0.08 0.00 -1.15 0.00 0.00 33.47 30.84 2f5g s TRP 101 CO 0.68 0.32 1.06 0.95 0.02 0.00 0.00 176.95 179.98 2f5g s THR 102 N -2.25 2.21 -0.88 2.01 -4.23 -1.19 -4.72 115.64 106.59 2f5g s THR 102 Ca 0.38 -0.23 0.27 0.00 -1.18 0.00 0.00 61.69 60.93 2f5g s THR 102 Cb -0.06 -2.98 0.26 0.00 1.34 0.00 0.00 72.50 71.05 2f5g s THR 102 CO 0.26 0.00 1.85 -1.14 -0.54 0.00 0.00 174.62 175.04 2f5g n ARG 103 N -3.03 0.11 -2.83 3.99 0.63 -1.26 -4.88 116.66 109.40 2f5g n ARG 103 Ca 0.09 0.11 -0.28 0.00 -0.92 0.00 0.00 57.85 56.85 2f5g n ARG 103 Cb 0.60 -1.64 -0.01 0.00 0.45 0.00 0.00 32.46 31.86 2f5g n ARG 103 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2f5g s SER 104 N -3.67 6.36 0.13 6.15 0.15 -1.26 -5.10 113.70 116.46 2f5g s SER 104 Ca 0.12 0.93 -0.24 0.00 0.70 0.00 0.00 55.95 57.46 2f5g s SER 104 Cb 0.16 -2.24 0.07 0.00 -1.71 0.00 0.00 66.02 62.30 2f5g s SER 104 CO 0.55 -0.46 0.61 -0.72 1.20 0.00 0.00 173.24 174.42 2f5g s TYR 105 N -2.53 -0.55 -0.06 3.44 -0.85 -1.26 -4.68 117.35 110.86 2f5g s TYR 105 Ca 0.48 0.42 0.03 0.00 -0.52 0.00 0.00 57.07 57.47 2f5g s TYR 105 Cb -0.10 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.75 2f5g s TYR 105 CO 0.39 -0.82 -0.13 0.12 -1.52 0.00 0.00 175.55 173.59 2f5g s PHE 106 N -3.45 2.74 -0.03 -3.49 2.19 0.23 -4.97 117.98 111.20 2f5g s PHE 106 Ca -0.00 -0.19 -0.01 0.00 0.33 0.00 0.00 56.93 57.06 2f5g s PHE 106 Cb -0.01 -1.66 0.02 0.00 -1.31 0.00 0.00 43.02 40.06 2f5g s PHE 106 CO -0.10 0.16 0.06 0.54 1.83 0.00 0.00 175.22 177.71 2f5g s VAL 107 N -0.62 -0.03 -0.04 3.12 0.11 -1.26 -1.23 120.40 120.45 2f5g s VAL 107 Ca 0.09 0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 59.26 2f5g s VAL 107 Cb -0.11 -0.11 0.03 0.00 -1.53 0.00 0.00 36.38 34.66 2f5g s VAL 107 CO 0.01 0.05 0.06 0.00 -3.33 0.00 0.00 175.10 171.90 2f5g s ALA 108 N 0.69 0.03 0.65 1.54 0.00 -0.52 -4.96 121.76 119.19 2f5g s ALA 108 Ca -0.06 0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 2f5g s ALA 108 Cb -0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2f5g s ALA 108 CO -0.02 -0.21 1.10 0.95 0.00 0.00 0.00 175.76 177.57 2f5g s THR 109 N 1.36 3.37 0.01 0.00 -4.23 -1.26 -0.49 115.64 114.39 2f5g s THR 109 Ca -0.06 0.63 0.01 0.00 -1.18 0.00 0.00 61.69 61.10 2f5g s THR 109 Cb -0.13 -3.16 -0.01 0.00 1.34 0.00 0.00 72.50 70.55 2f5g s THR 109 CO -0.04 -0.40 -0.05 0.00 -0.54 0.00 0.00 174.62 173.60 2f5g s ALA 110 N -2.38 0.35 0.00 3.99 0.00 -0.32 -4.86 121.76 118.55 2f5g s ALA 110 Ca 0.66 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2f5g s ALA 110 Cb -0.19 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2f5g s ALA 110 CO 0.41 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.63 2f5g n GLY 111 N 2.64 3.64 2.74 0.00 0.00 -1.26 -4.13 105.19 108.82 2f5g n GLY 111 Ca -0.15 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.30 2f5g n GLY 111 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2f5g s ASN 112 N 0.00 1.49 -0.33 1.61 -0.87 -1.26 -5.12 114.94 110.45 2f5g s ASN 112 Ca 0.00 -0.28 -0.13 0.00 -1.57 0.00 0.00 52.86 50.88 2f5g s ASN 112 Cb 0.00 0.33 -0.02 0.00 -0.02 0.00 0.00 41.25 41.53 2f5g s ASN 112 CO 0.00 -0.33 0.24 -0.69 -2.57 0.00 0.00 177.10 173.75 2f5g s VAL 113 N 2.31 5.28 0.66 1.60 1.01 -1.26 -5.08 120.40 124.91 2f5g s VAL 113 Ca 0.07 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 2f5g s VAL 113 Cb -0.16 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2f5g s VAL 113 CO -0.13 0.03 1.05 -0.94 0.00 0.00 0.00 175.10 175.11 2f5g s SER 114 N 1.73 5.85 0.43 3.32 1.04 -1.26 -4.96 113.70 119.86 2f5g s SER 114 Ca 0.07 1.26 0.14 0.00 0.48 0.00 0.00 55.95 57.90 2f5g s SER 114 Cb -0.17 -2.19 0.94 0.00 0.10 0.00 0.00 66.02 64.70 2f5g s SER 114 CO 0.11 -1.09 1.96 0.77 0.98 0.00 0.00 173.24 175.97 2f5g h SER 115 N -0.46 0.00 -0.60 7.02 4.64 -1.99 -2.57 113.55 119.59 2f5g h SER 115 Ca -0.45 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 2f5g h SER 115 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2f5g h SER 115 CO 0.63 0.22 0.07 -0.33 -0.87 0.00 0.00 176.83 176.55 2f5g h GLU 116 N 0.00 1.02 -0.54 4.77 3.07 -1.99 0.24 114.58 121.14 2f5g h GLU 116 Ca -0.00 -0.29 -0.08 0.00 -0.50 0.00 0.00 59.36 58.49 2f5g h GLU 116 Cb 0.39 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 2f5g h GLU 116 CO 0.03 0.97 0.01 0.28 -1.40 0.00 0.00 179.01 178.90 2f5g h VAL 117 N 0.92 1.26 -0.30 3.13 2.07 -1.85 -0.77 116.25 120.71 2f5g h VAL 117 Ca 0.18 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 2f5g h VAL 117 Cb 0.46 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2f5g h VAL 117 CO 0.02 0.39 0.02 0.40 0.02 0.00 0.00 177.57 178.41 2f5g h ILE 118 N 0.83 1.25 -0.77 4.57 1.08 -1.31 -2.06 117.51 121.09 2f5g h ILE 118 Ca 0.15 -0.90 -0.04 0.00 -0.39 0.00 0.00 64.86 63.68 2f5g h ILE 118 Cb 0.52 1.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.49 2f5g h ILE 118 CO 0.03 0.29 0.32 0.11 -0.69 0.00 0.00 178.15 178.21 2f5g h LYS 119 N 0.32 1.15 -0.60 2.37 1.57 -0.84 -2.04 116.57 118.50 2f5g h LYS 119 Ca 0.09 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2f5g h LYS 119 Cb 0.41 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 2f5g h LYS 119 CO 0.01 0.92 0.34 -0.22 -0.57 0.00 0.00 179.45 179.93 2f5g h LYS 120 N 1.11 0.84 -0.42 3.15 3.64 -1.04 -1.69 116.57 122.16 2f5g h LYS 120 Ca 0.26 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2f5g h LYS 120 Cb 0.20 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2f5g h LYS 120 CO -0.02 0.63 0.25 -0.92 -2.27 0.00 0.00 179.45 177.12 2f5g h TYR 121 N 0.82 0.55 -0.39 1.91 3.20 -1.05 -0.76 116.97 121.25 2f5g h TYR 121 Ca 0.21 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.10 2f5g h TYR 121 Cb 0.03 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 2f5g h TYR 121 CO -0.01 0.39 0.23 0.82 -1.64 0.00 0.00 178.16 177.95 2f5g h ILE 122 N 0.55 1.03 -0.30 1.81 1.08 -1.11 -1.46 117.51 119.11 2f5g h ILE 122 Ca 0.15 -0.16 -0.08 0.00 -0.39 0.00 0.00 64.86 64.38 2f5g h ILE 122 Cb 0.00 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 2f5g h ILE 122 CO -0.03 0.08 -0.14 -0.33 -0.69 0.00 0.00 178.15 177.05 2f5g h GLU 123 N 0.46 0.53 -0.47 2.37 4.39 -1.06 -2.23 114.58 118.58 2f5g h GLU 123 Ca 0.16 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 2f5g h GLU 123 Cb 0.01 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2f5g h GLU 123 CO -0.08 0.66 -0.16 0.93 -1.16 0.00 0.00 179.01 179.20 2f5g h GLU 124 N 0.49 0.90 -0.47 2.33 5.08 -0.71 -0.71 114.58 121.49 2f5g h GLU 124 Ca 0.09 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.99 2f5g h GLU 124 Cb 0.53 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2f5g h GLU 124 CO 0.03 0.99 -0.14 1.96 -1.00 0.00 0.00 179.01 180.86 2f5g h GLN 125 N 0.80 0.92 -0.21 2.33 1.08 -1.00 -0.81 115.11 118.21 2f5g h GLN 125 Ca 0.12 -0.36 -0.14 0.00 -1.45 0.00 0.00 58.65 56.82 2f5g h GLN 125 Cb 0.70 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 2f5g h GLN 125 CO 0.05 1.02 -0.45 -1.49 -0.95 0.00 0.00 178.83 177.01 2f5g h TRP 126 N 0.76 0.64 -0.52 2.96 4.06 -1.32 0.41 115.95 122.94 2f5g h TRP 126 Ca 0.12 -0.20 -0.07 0.00 2.06 0.00 0.00 58.89 60.80 2f5g h TRP 126 Cb 0.69 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.70 2f5g h TRP 126 CO 0.05 0.89 0.04 -0.09 -3.56 0.00 0.00 178.44 175.77 2f5g h ARG 127 N 0.43 0.85 0.04 0.49 2.43 -1.00 0.64 114.38 118.26 2f5g h ARG 127 Ca 0.03 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2f5g h ARG 127 Cb 0.95 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2f5g h ARG 127 CO 0.08 0.82 -0.02 -0.22 -1.51 0.00 0.00 179.97 179.13 2f5g h LYS 128 N 0.80 -0.05 -0.00 0.20 3.64 -0.75 -3.34 116.57 117.06 2f5g h LYS 128 Ca 0.16 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 2f5g h LYS 128 Cb 0.42 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2f5g h LYS 128 CO 0.01 0.59 -0.64 0.93 -2.27 0.00 0.00 179.45 178.07 2f5g h GLU 129 N -0.78 0.02 0.00 1.90 4.39 -0.21 -3.50 114.58 116.40 2f5g h GLU 129 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2f5g h GLU 129 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2f5g h GLU 129 CO 0.01 0.66 0.00 0.41 -1.16 0.00 0.00 179.01 178.93 2f5g n GLY 130 N 0.32 -0.41 0.75 -3.84 0.00 0.21 -5.07 105.19 97.16 2f5g n GLY 130 Ca -0.01 -1.54 0.09 0.00 0.00 0.00 0.00 46.02 44.56 2f5g n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50