#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fa6 s ASN 2 N 0.00 4.39 0.00 3.54 3.84 -1.26 -4.98 114.94 120.46 3fa6 s ASN 2 Ca 0.00 -1.58 0.22 0.00 0.21 0.00 0.00 52.86 51.71 3fa6 s ASN 2 Cb 0.00 -1.45 1.17 0.00 -0.55 0.00 0.00 41.25 40.42 3fa6 s ASN 2 CO 0.00 -0.27 1.68 0.49 -2.79 0.00 0.00 177.10 176.22 3fa6 n PHE 3 N 4.45 0.00 -1.97 0.43 3.01 -1.26 -4.90 117.46 117.23 3fa6 n PHE 3 Ca -0.08 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.98 3fa6 n PHE 3 Cb 0.42 -0.17 -0.00 0.00 -0.01 0.00 0.00 39.48 39.73 3fa6 n PHE 3 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3fa6 s SER 4 N -2.33 6.29 0.00 4.37 0.01 -1.26 -4.64 113.70 116.14 3fa6 s SER 4 Ca 0.26 2.78 0.00 0.00 1.31 0.00 0.00 55.95 60.29 3fa6 s SER 4 Cb 0.15 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.73 3fa6 s SER 4 CO 0.29 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.67 3fa6 n GLY 5 N 0.64 1.79 3.52 3.44 0.00 -0.23 -4.95 105.19 109.39 3fa6 n GLY 5 Ca 0.03 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 3fa6 n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fa6 s ASN 6 N 0.00 5.40 -0.10 1.61 0.01 -1.26 -1.07 114.94 119.52 3fa6 s ASN 6 Ca 0.00 -0.09 -0.00 0.00 -0.71 0.00 0.00 52.86 52.06 3fa6 s ASN 6 Cb 0.00 -1.96 -0.03 0.00 0.41 0.00 0.00 41.25 39.67 3fa6 s ASN 6 CO 0.00 0.03 -0.09 0.26 -1.51 0.00 0.00 177.10 175.79 3fa6 s TRP 7 N 1.24 2.89 -0.05 2.20 0.52 0.11 -0.37 118.94 125.49 3fa6 s TRP 7 Ca 0.05 -0.22 0.07 0.00 0.02 0.00 0.00 56.10 56.01 3fa6 s TRP 7 Cb -0.14 -1.79 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 3fa6 s TRP 7 CO 0.04 0.11 -0.25 -1.59 0.02 0.00 0.00 176.95 175.27 3fa6 s LYS 8 N -0.27 2.40 0.24 4.98 -2.85 0.23 -2.99 119.74 121.47 3fa6 s LYS 8 Ca 0.03 -0.90 -0.30 0.00 -1.00 0.00 0.00 55.97 53.80 3fa6 s LYS 8 Cb -0.13 -2.11 -0.09 0.00 -2.06 0.00 0.00 37.83 33.45 3fa6 s LYS 8 CO 0.03 0.43 1.13 -1.50 0.10 0.00 0.00 175.35 175.54 3fa6 s ILE 9 N -0.29 3.56 -0.02 3.79 2.07 -1.26 -1.15 121.20 127.91 3fa6 s ILE 9 Ca 0.00 1.45 0.01 0.00 -1.41 0.00 0.00 60.65 60.70 3fa6 s ILE 9 Cb -0.13 -3.93 -0.01 0.00 0.13 0.00 0.00 42.46 38.53 3fa6 s ILE 9 CO 0.02 0.30 0.02 2.30 -1.91 0.00 0.00 174.94 175.67 3fa6 n ILE 10 N 1.76 0.00 -3.62 2.00 -5.35 0.64 -4.90 119.36 109.88 3fa6 n ILE 10 Ca 0.01 -0.31 -0.16 0.00 -0.27 0.00 0.00 62.75 62.03 3fa6 n ILE 10 Cb 0.45 0.81 -0.07 0.00 -1.74 0.00 0.00 39.64 39.08 3fa6 n ILE 10 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3fa6 s ARG 11 N -1.43 0.87 -0.09 6.28 3.52 -1.04 -4.97 118.95 122.10 3fa6 s ARG 11 Ca 0.00 0.18 -0.14 0.00 -0.13 0.00 0.00 55.73 55.64 3fa6 s ARG 11 Cb 0.00 0.41 0.03 0.00 -1.56 0.00 0.00 34.95 33.83 3fa6 s ARG 11 CO 0.02 -0.24 0.35 0.45 -0.81 0.00 0.00 175.30 175.07 3fa6 s SER 12 N -1.03 -0.31 -0.00 -2.12 0.15 -1.26 -0.93 113.70 108.20 3fa6 s SER 12 Ca -0.10 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.02 3fa6 s SER 12 Cb -0.02 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 3fa6 s SER 12 CO 0.07 -0.27 0.00 -1.61 1.20 0.00 0.00 173.24 172.63 3fa6 s GLU 13 N -0.46 0.01 -0.75 5.44 0.41 0.05 -4.94 118.70 118.46 3fa6 s GLU 13 Ca -0.06 0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.54 3fa6 s GLU 13 Cb -0.04 -0.07 0.00 0.00 -1.78 0.00 0.00 34.13 32.24 3fa6 s GLU 13 CO 0.02 -0.03 0.00 0.09 -0.49 0.00 0.00 175.26 174.85 3fa6 n ASN 14 N 3.32 -3.98 0.04 -0.19 3.02 -1.26 -1.84 115.26 114.37 3fa6 n ASN 14 Ca -0.16 0.18 -0.13 0.00 -0.03 0.00 0.00 54.58 54.44 3fa6 n ASN 14 Cb 0.58 -2.10 -0.09 0.00 -0.61 0.00 0.00 39.78 37.56 3fa6 n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3fa6 h PHE 15 N 0.00 -0.08 -0.61 3.10 3.57 -1.92 -0.13 116.94 120.86 3fa6 h PHE 15 Ca -0.15 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.31 3fa6 h PHE 15 Cb 0.50 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 3fa6 h PHE 15 CO 0.23 0.24 0.22 1.49 -2.23 0.00 0.00 178.31 178.26 3fa6 h GLU 16 N -0.42 0.90 -0.89 1.11 4.81 -1.95 -2.34 114.58 115.81 3fa6 h GLU 16 Ca -0.01 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 3fa6 h GLU 16 Cb 0.37 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 3fa6 h GLU 16 CO 0.02 0.76 0.48 1.49 -0.73 0.00 0.00 179.01 181.02 3fa6 h GLU 17 N 0.88 1.24 -0.29 1.92 4.57 -1.91 0.13 114.58 121.12 3fa6 h GLU 17 Ca 0.20 -0.15 0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3fa6 h GLU 17 Cb 0.21 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 3fa6 h GLU 17 CO -0.01 0.91 0.14 1.25 -1.18 0.00 0.00 179.01 180.11 3fa6 h LEU 18 N 1.24 0.19 -0.91 1.64 5.85 -0.51 -1.10 115.31 121.72 3fa6 h LEU 18 Ca 0.31 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 3fa6 h LEU 18 Cb 0.04 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3fa6 h LEU 18 CO -0.05 0.15 0.18 -0.07 -0.34 0.00 0.00 178.44 178.31 3fa6 h LEU 19 N 0.29 0.92 -0.42 2.25 3.38 -0.94 -2.62 115.31 118.16 3fa6 h LEU 19 Ca 0.12 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3fa6 h LEU 19 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3fa6 h LEU 19 CO -0.09 0.87 0.25 0.50 0.09 0.00 0.00 178.44 180.06 3fa6 h LYS 20 N 0.94 0.56 0.00 1.13 3.64 -0.18 -1.17 116.57 121.50 3fa6 h LYS 20 Ca 0.21 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3fa6 h LYS 20 Cb 0.30 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3fa6 h LYS 20 CO -0.00 0.41 0.00 1.33 -2.27 0.00 0.00 179.45 178.92 3fa6 n VAL 21 N -4.76 0.57 1.41 2.00 0.24 -0.47 -1.27 118.33 116.04 3fa6 n VAL 21 Ca 0.01 -0.08 0.14 0.00 -2.04 0.00 0.00 64.34 62.37 3fa6 n VAL 21 Cb 0.05 -0.73 0.62 0.00 -1.47 0.00 0.00 33.84 32.31 3fa6 n VAL 21 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3fa6 n LEU 22 N -2.07 0.45 0.00 1.34 4.77 -1.00 -4.93 117.00 115.56 3fa6 n LEU 22 Ca 0.05 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3fa6 n LEU 22 Cb 0.35 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3fa6 n LEU 22 CO 0.26 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3fa6 n GLY 23 N 1.28 0.84 3.72 -0.72 0.00 -0.40 -5.06 105.19 104.85 3fa6 n GLY 23 Ca 0.14 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3fa6 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fa6 s VAL 24 N -2.00 3.29 0.68 1.61 1.01 -0.48 -4.98 120.40 119.54 3fa6 s VAL 24 Ca 0.00 0.93 -0.13 0.00 0.00 0.00 0.00 61.98 62.78 3fa6 s VAL 24 Cb 0.00 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.79 3fa6 s VAL 24 CO 0.00 0.08 1.08 0.54 0.00 0.00 0.00 175.10 176.79 3fa6 s ASN 25 N 1.07 5.24 0.37 3.32 2.20 -1.26 -4.58 114.94 121.30 3fa6 s ASN 25 Ca 0.64 1.79 0.04 0.00 -0.94 0.00 0.00 52.86 54.39 3fa6 s ASN 25 Cb -0.37 -2.52 0.72 0.00 -2.00 0.00 0.00 41.25 37.08 3fa6 s ASN 25 CO 0.31 -1.54 2.03 1.62 -2.94 0.00 0.00 177.10 176.58 3fa6 h VAL 26 N -0.36 1.14 -0.60 3.54 3.04 -1.99 0.23 116.25 121.26 3fa6 h VAL 26 Ca -0.45 -0.25 -0.04 0.00 -1.01 0.00 0.00 66.70 64.94 3fa6 h VAL 26 Cb 1.22 0.33 -0.03 0.00 -2.01 0.00 0.00 31.29 30.81 3fa6 h VAL 26 CO 0.55 0.14 0.20 0.24 -1.01 0.00 0.00 177.57 177.69 3fa6 h MET 27 N 0.74 0.92 -0.03 4.17 2.86 -2.00 -0.81 114.93 120.78 3fa6 h MET 27 Ca 0.20 -0.19 -0.17 0.00 -2.06 0.00 0.00 59.70 57.49 3fa6 h MET 27 Cb -0.08 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 3fa6 h MET 27 CO -0.04 0.81 -0.73 -0.07 1.06 0.00 0.00 176.91 177.93 3fa6 h LEU 28 N 0.84 0.24 -0.46 1.22 3.38 -1.65 -2.79 115.31 116.08 3fa6 h LEU 28 Ca 0.19 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3fa6 h LEU 28 Cb 0.26 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3fa6 h LEU 28 CO -0.01 0.89 0.14 0.03 0.09 0.00 0.00 178.44 179.58 3fa6 h ARG 29 N 0.13 0.72 -0.49 1.13 3.08 -0.50 -0.43 114.38 118.02 3fa6 h ARG 29 Ca -0.02 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 3fa6 h ARG 29 Cb 1.29 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 3fa6 h ARG 29 CO 0.11 0.69 0.02 0.87 -1.07 0.00 0.00 179.97 180.59 3fa6 h LYS 30 N 0.61 0.79 -0.34 0.04 1.79 -1.10 0.47 116.57 118.84 3fa6 h LYS 30 Ca 0.15 -0.21 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 3fa6 h LYS 30 Cb 0.27 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3fa6 h LYS 30 CO -0.00 0.79 0.04 0.82 -1.08 0.00 0.00 179.45 180.01 3fa6 h ILE 31 N 0.75 1.24 -0.26 1.86 2.04 -1.31 -1.69 117.51 120.14 3fa6 h ILE 31 Ca 0.15 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3fa6 h ILE 31 Cb 0.43 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3fa6 h ILE 31 CO 0.02 0.29 0.05 0.00 0.00 0.00 0.00 178.15 178.51 3fa6 h ALA 32 N 0.88 0.35 -0.66 1.87 0.00 -0.52 0.72 119.26 121.90 3fa6 h ALA 32 Ca 0.10 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3fa6 h ALA 32 Cb 0.39 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3fa6 h ALA 32 CO 0.01 0.02 0.40 0.28 0.00 0.00 0.00 179.25 179.96 3fa6 h VAL 33 N 0.25 1.06 -0.33 0.00 2.07 -0.06 -0.28 116.25 118.95 3fa6 h VAL 33 Ca 0.08 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 3fa6 h VAL 33 Cb 0.32 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3fa6 h VAL 33 CO 0.00 0.14 -0.23 0.00 0.02 0.00 0.00 177.57 177.51 3fa6 h ALA 34 N 1.30 0.47 -0.04 1.67 0.00 -1.11 -2.76 119.26 118.80 3fa6 h ALA 34 Ca 0.27 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3fa6 h ALA 34 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3fa6 h ALA 34 CO -0.12 0.45 -0.52 0.00 0.00 0.00 0.00 179.25 179.06 3fa6 h ALA 35 N 0.75 1.07 0.00 0.00 0.00 -0.61 -3.36 119.26 117.12 3fa6 h ALA 35 Ca 0.07 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3fa6 h ALA 35 Cb 0.79 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3fa6 h ALA 35 CO 0.06 0.66 -0.40 0.00 0.00 0.00 0.00 179.25 179.58 3fa6 n ALA 36 N -2.45 3.13 1.09 0.00 0.00 -0.14 -2.31 120.51 119.82 3fa6 n ALA 36 Ca -0.02 -2.98 0.12 0.00 0.00 0.00 0.00 53.44 50.56 3fa6 n ALA 36 Cb 0.54 -0.39 0.17 0.00 0.00 0.00 0.00 19.45 19.77 3fa6 n ALA 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3fa6 n SER 37 N -1.06 1.16 -3.18 0.00 7.64 -1.05 -4.14 113.62 112.99 3fa6 n SER 37 Ca 0.17 -0.93 -0.22 0.00 1.01 0.00 0.00 58.87 58.90 3fa6 n SER 37 Cb 0.71 0.40 -0.05 0.00 -1.01 0.00 0.00 64.21 64.26 3fa6 n SER 37 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3fa6 n LYS 38 N -0.83 1.43 -2.28 1.43 5.02 -1.26 -5.02 118.16 116.66 3fa6 n LYS 38 Ca 0.09 -3.71 -0.42 0.00 -2.02 0.00 0.00 58.31 52.25 3fa6 n LYS 38 Cb 0.37 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 3fa6 n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fa6 s PRO 39 N -2.22 4.40 -0.03 1.97 0.04 -1.26 -4.90 135.00 132.99 3fa6 s PRO 39 Ca 0.40 1.97 -0.28 0.00 0.04 0.00 0.00 61.00 63.13 3fa6 s PRO 39 Cb 0.26 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 3fa6 s PRO 39 CO -0.09 -0.26 0.92 0.00 0.04 0.00 0.00 177.00 177.61 3fa6 s ALA 40 N 0.46 3.24 -0.15 8.56 0.00 -0.26 -4.51 121.76 129.09 3fa6 s ALA 40 Ca 0.58 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3fa6 s ALA 40 Cb -0.35 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.52 3fa6 s ALA 40 CO 0.35 -0.28 -0.14 0.08 0.00 0.00 0.00 175.76 175.77 3fa6 s VAL 41 N 1.16 1.60 -0.09 0.00 1.01 -1.16 -0.58 120.40 122.34 3fa6 s VAL 41 Ca 0.48 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3fa6 s VAL 41 Cb -0.20 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 3fa6 s VAL 41 CO 0.24 0.45 -0.15 -0.70 0.00 0.00 0.00 175.10 174.94 3fa6 s GLU 42 N 1.47 2.92 -0.05 2.72 2.12 -0.02 0.06 118.70 127.93 3fa6 s GLU 42 Ca 0.05 -0.72 0.04 0.00 0.36 0.00 0.00 54.97 54.71 3fa6 s GLU 42 Cb -0.13 -2.47 -0.00 0.00 0.26 0.00 0.00 34.13 31.79 3fa6 s GLU 42 CO -0.11 0.40 -0.18 0.42 -0.54 0.00 0.00 175.26 175.25 3fa6 s ILE 43 N -0.16 1.54 -0.23 -3.70 1.01 -0.23 -0.72 121.20 118.71 3fa6 s ILE 43 Ca -0.01 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.89 3fa6 s ILE 43 Cb -0.14 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.06 3fa6 s ILE 43 CO 0.03 0.44 -0.14 -0.54 0.00 0.00 0.00 174.94 174.73 3fa6 s LYS 44 N 0.06 2.58 -0.13 2.79 1.02 0.06 -1.07 119.74 125.05 3fa6 s LYS 44 Ca -0.05 -1.12 -0.02 0.00 0.02 0.00 0.00 55.97 54.80 3fa6 s LYS 44 Cb -0.12 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 3fa6 s LYS 44 CO 0.03 -0.42 -0.06 -1.14 -0.92 0.00 0.00 175.35 172.84 3fa6 s GLN 45 N 1.19 3.39 -0.45 1.68 0.74 -1.26 -1.20 119.66 123.75 3fa6 s GLN 45 Ca -0.03 -0.55 0.02 0.00 0.05 0.00 0.00 55.36 54.85 3fa6 s GLN 45 Cb -0.17 -2.78 0.14 0.00 1.10 0.00 0.00 33.01 31.30 3fa6 s GLN 45 CO -0.08 0.35 0.26 -1.21 -0.55 0.00 0.00 175.29 174.06 3fa6 s GLU 46 N 0.05 1.27 7.92 1.67 2.02 0.30 -4.82 118.70 127.12 3fa6 s GLU 46 Ca -0.01 -2.04 0.00 0.00 0.02 0.00 0.00 54.97 52.94 3fa6 s GLU 46 Cb -0.14 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.84 3fa6 s GLU 46 CO 0.03 -1.19 0.00 0.41 0.02 0.00 0.00 175.26 174.53 3fa6 n GLY 47 N 3.44 3.84 0.70 -1.39 0.00 -1.26 -1.70 105.19 108.82 3fa6 n GLY 47 Ca 0.11 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3fa6 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fa6 n ASP 48 N 7.90 2.09 -4.73 1.61 8.00 -1.26 -4.83 116.55 125.33 3fa6 n ASP 48 Ca 0.00 -1.79 -0.35 0.00 0.71 0.00 0.00 54.79 53.36 3fa6 n ASP 48 Cb 0.00 -0.14 -0.08 0.00 -0.02 0.00 0.00 41.12 40.88 3fa6 n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3fa6 s THR 49 N -1.71 5.40 0.05 -3.53 2.01 -0.69 -0.82 115.64 116.34 3fa6 s THR 49 Ca 0.33 0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.63 3fa6 s THR 49 Cb 0.18 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 3fa6 s THR 49 CO 0.27 0.43 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.06 3fa6 s PHE 50 N 0.40 1.82 -0.07 4.92 0.40 0.39 -0.54 117.98 125.29 3fa6 s PHE 50 Ca 0.09 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.08 3fa6 s PHE 50 Cb -0.11 -1.08 0.00 0.00 0.51 0.00 0.00 43.02 42.34 3fa6 s PHE 50 CO -0.01 0.10 -0.19 -0.47 0.70 0.00 0.00 175.22 175.35 3fa6 s TYR 51 N -0.82 2.03 -0.06 0.36 5.04 -0.34 -1.65 117.35 121.90 3fa6 s TYR 51 Ca 0.07 -0.74 0.02 0.00 -2.44 0.00 0.00 57.07 53.99 3fa6 s TYR 51 Cb -0.09 -1.38 0.01 0.00 0.35 0.00 0.00 41.96 40.85 3fa6 s TYR 51 CO 0.02 -0.30 -0.12 0.42 -1.34 0.00 0.00 175.55 174.23 3fa6 s ILE 52 N 0.33 1.08 -0.15 3.14 1.01 -0.19 -0.76 121.20 125.66 3fa6 s ILE 52 Ca -0.13 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.09 3fa6 s ILE 52 Cb -0.16 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.34 3fa6 s ILE 52 CO 0.05 0.34 -0.22 -0.75 0.00 0.00 0.00 174.94 174.37 3fa6 s LYS 53 N 0.61 3.02 -0.19 2.79 2.20 0.10 -0.53 119.74 127.74 3fa6 s LYS 53 Ca -0.13 -0.85 -0.02 0.00 -0.36 0.00 0.00 55.97 54.61 3fa6 s LYS 53 Cb -0.15 -2.46 -0.00 0.00 -1.51 0.00 0.00 37.83 33.71 3fa6 s LYS 53 CO 0.03 -0.04 -0.10 0.08 -0.36 0.00 0.00 175.35 174.96 3fa6 s VAL 54 N 0.88 2.96 -0.13 4.02 1.01 0.35 -0.84 120.40 128.65 3fa6 s VAL 54 Ca -0.05 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3fa6 s VAL 54 Cb -0.15 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 3fa6 s VAL 54 CO -0.03 0.47 -0.19 -0.44 0.00 0.00 0.00 175.10 174.91 3fa6 s SER 55 N 1.22 3.41 0.41 3.32 0.01 0.26 -0.78 113.70 121.56 3fa6 s SER 55 Ca 0.02 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.78 3fa6 s SER 55 Cb -0.14 -1.50 -0.00 0.00 0.21 0.00 0.00 66.02 64.59 3fa6 s SER 55 CO -0.04 0.12 0.01 0.35 0.41 0.00 0.00 173.24 174.08 3fa6 n THR 56 N 3.83 0.00 0.31 1.44 -2.24 -0.03 -1.11 114.28 116.48 3fa6 n THR 56 Ca -0.19 -1.97 0.19 0.00 -2.27 0.00 0.00 64.05 59.81 3fa6 n THR 56 Cb 0.52 0.41 0.98 0.00 -2.10 0.00 0.00 70.33 70.14 3fa6 n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3fa6 h THR 57 N 1.23 0.12 0.00 4.28 1.35 -1.82 -3.21 112.91 114.86 3fa6 h THR 57 Ca -0.34 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3fa6 h THR 57 Cb 1.05 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3fa6 h THR 57 CO 0.57 0.02 0.00 1.33 -0.25 0.00 0.00 175.52 177.19 3fa6 n VAL 58 N -3.21 0.07 -3.76 6.82 0.24 -1.26 -5.07 118.33 112.16 3fa6 n VAL 58 Ca -0.02 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.34 61.77 3fa6 n VAL 58 Cb 0.17 1.25 -0.11 0.00 -1.47 0.00 0.00 33.84 33.67 3fa6 n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3fa6 s ARG 59 N -0.07 0.40 -0.16 7.34 3.52 -1.21 -5.13 118.95 123.63 3fa6 s ARG 59 Ca 0.00 0.41 0.02 0.00 -0.13 0.00 0.00 55.73 56.03 3fa6 s ARG 59 Cb 0.00 0.19 0.01 0.00 -1.56 0.00 0.00 34.95 33.59 3fa6 s ARG 59 CO 0.00 -0.05 -0.20 0.99 -0.81 0.00 0.00 175.30 175.23 3fa6 s THR 60 N 0.08 2.15 -0.20 4.11 2.01 -1.26 -0.85 115.64 121.68 3fa6 s THR 60 Ca -0.01 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 61.04 3fa6 s THR 60 Cb -0.02 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.60 3fa6 s THR 60 CO 0.01 0.54 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.49 3fa6 s THR 61 N 1.02 2.93 -0.13 -0.82 2.01 0.04 -4.98 115.64 115.71 3fa6 s THR 61 Ca -0.02 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.34 3fa6 s THR 61 Cb -0.14 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 3fa6 s THR 61 CO -0.06 0.47 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.57 3fa6 s GLU 62 N 1.32 3.29 -0.04 4.92 2.02 -1.26 -0.50 118.70 128.46 3fa6 s GLU 62 Ca 0.04 -0.73 0.06 0.00 0.02 0.00 0.00 54.97 54.36 3fa6 s GLU 62 Cb -0.14 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.51 3fa6 s GLU 62 CO -0.06 0.18 -0.23 0.42 0.02 0.00 0.00 175.26 175.60 3fa6 s ILE 63 N 0.41 1.84 -0.13 -1.63 1.01 0.31 -4.98 121.20 118.04 3fa6 s ILE 63 Ca -0.12 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.57 3fa6 s ILE 63 Cb -0.16 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.78 3fa6 s ILE 63 CO 0.06 0.52 -0.11 0.20 0.00 0.00 0.00 174.94 175.61 3fa6 s ASN 64 N -0.25 2.39 0.10 3.58 0.01 -1.26 -1.02 114.94 118.48 3fa6 s ASN 64 Ca 0.01 -0.38 -0.11 0.00 -0.71 0.00 0.00 52.86 51.66 3fa6 s ASN 64 Cb -0.12 -0.99 0.01 0.00 0.41 0.00 0.00 41.25 40.57 3fa6 s ASN 64 CO 0.02 -0.09 0.27 0.72 -1.51 0.00 0.00 177.10 176.51 3fa6 s PHE 65 N 1.57 0.02 -0.06 2.20 -0.12 -0.66 -4.97 117.98 115.97 3fa6 s PHE 65 Ca 0.04 -0.40 0.05 0.00 -0.05 0.00 0.00 56.93 56.57 3fa6 s PHE 65 Cb -0.13 0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.30 3fa6 s PHE 65 CO -0.09 -0.60 -0.20 0.21 -0.05 0.00 0.00 175.22 174.50 3fa6 s LYS 66 N -3.80 2.56 0.22 1.99 2.20 -1.26 -0.46 119.74 121.18 3fa6 s LYS 66 Ca 0.04 -0.80 -0.32 0.00 -0.36 0.00 0.00 55.97 54.53 3fa6 s LYS 66 Cb 0.04 -2.28 -0.13 0.00 -1.51 0.00 0.00 37.83 33.94 3fa6 s LYS 66 CO -0.11 0.49 1.55 0.28 -0.36 0.00 0.00 175.35 177.19 3fa6 n VAL 67 N 2.68 0.48 -0.43 4.02 0.31 -0.00 -1.71 118.33 123.69 3fa6 n VAL 67 Ca -0.17 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3fa6 n VAL 67 Cb 0.52 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 3fa6 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fa6 n GLY 68 N 2.88 0.88 3.22 2.92 0.00 0.22 -5.02 105.19 110.29 3fa6 n GLY 68 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3fa6 n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fa6 s GLU 69 N -0.49 3.08 0.43 1.61 2.12 -0.69 -4.99 118.70 119.76 3fa6 s GLU 69 Ca 0.00 -0.85 -0.25 0.00 0.36 0.00 0.00 54.97 54.23 3fa6 s GLU 69 Cb 0.00 -2.37 -0.08 0.00 0.26 0.00 0.00 34.13 31.94 3fa6 s GLU 69 CO 0.00 0.14 1.26 -2.00 -0.54 0.00 0.00 175.26 174.11 3fa6 s GLU 70 N 0.46 3.87 0.20 4.30 2.12 -1.26 -4.56 118.70 123.83 3fa6 s GLU 70 Ca -0.15 2.03 -0.04 0.00 0.36 0.00 0.00 54.97 57.17 3fa6 s GLU 70 Cb -0.17 -2.63 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 3fa6 s GLU 70 CO 0.06 -0.53 0.21 -0.59 -0.54 0.00 0.00 175.26 173.87 3fa6 s PHE 71 N -1.34 0.90 -0.06 5.30 -0.71 -0.27 -4.97 117.98 116.82 3fa6 s PHE 71 Ca 0.59 -1.18 -0.11 0.00 -1.04 0.00 0.00 56.93 55.20 3fa6 s PHE 71 Cb -0.35 -0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 41.06 3fa6 s PHE 71 CO 0.44 -0.71 0.28 -1.21 -1.34 0.00 0.00 175.22 172.68 3fa6 s GLU 72 N -4.10 3.69 0.32 1.99 0.41 -1.26 -0.14 118.70 119.60 3fa6 s GLU 72 Ca 0.32 0.14 -0.07 0.00 -0.41 0.00 0.00 54.97 54.96 3fa6 s GLU 72 Cb 0.05 -3.21 0.01 0.00 -1.78 0.00 0.00 34.13 29.20 3fa6 s GLU 72 CO 0.09 0.73 0.50 -2.00 -0.49 0.00 0.00 175.26 174.09 3fa6 s GLU 73 N -1.02 1.82 0.17 1.61 2.12 -0.60 -4.92 118.70 117.89 3fa6 s GLU 73 Ca 0.19 -1.57 0.11 0.00 0.36 0.00 0.00 54.97 54.06 3fa6 s GLU 73 Cb -0.14 0.47 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 3fa6 s GLU 73 CO 0.09 -0.77 -0.24 -0.65 -0.54 0.00 0.00 175.26 173.16 3fa6 s GLN 74 N -3.28 1.54 1.05 4.30 -0.21 -1.26 -1.01 119.66 120.79 3fa6 s GLN 74 Ca 0.27 -1.45 -0.15 0.00 0.02 0.00 0.00 55.36 54.04 3fa6 s GLN 74 Cb -0.01 -1.89 0.21 0.00 1.00 0.00 0.00 33.01 32.33 3fa6 s GLN 74 CO 0.16 0.42 1.14 0.95 -2.12 0.00 0.00 175.29 175.84 3fa6 s THR 75 N -1.50 1.85 0.36 -0.19 -4.23 0.18 -4.84 115.64 107.27 3fa6 s THR 75 Ca 0.19 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.99 3fa6 s THR 75 Cb -0.09 -2.63 0.30 0.00 1.34 0.00 0.00 72.50 71.43 3fa6 s THR 75 CO 0.09 0.00 2.04 1.62 -0.54 0.00 0.00 174.62 177.83 3fa6 h VAL 76 N -2.02 0.48 -0.41 2.29 3.04 -1.98 0.40 116.25 118.05 3fa6 h VAL 76 Ca -0.49 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 64.61 3fa6 h VAL 76 Cb 1.31 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.99 3fa6 h VAL 76 CO 0.47 0.12 0.00 -0.90 -1.01 0.00 0.00 177.57 176.25 3fa6 n ASP 77 N -3.52 2.88 0.00 3.17 5.75 -1.26 -4.98 116.55 118.60 3fa6 n ASP 77 Ca -0.01 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 3fa6 n ASP 77 Cb 0.27 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3fa6 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fa6 n GLY 78 N 1.38 0.99 3.75 6.12 0.00 0.13 -5.08 105.19 112.48 3fa6 n GLY 78 Ca 0.18 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3fa6 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fa6 s ARG 79 N -0.52 4.14 0.23 1.61 0.52 -1.26 -4.74 118.95 118.93 3fa6 s ARG 79 Ca 0.00 0.13 -0.32 0.00 -0.52 0.00 0.00 55.73 55.02 3fa6 s ARG 79 Cb 0.00 -3.38 -0.13 0.00 0.52 0.00 0.00 34.95 31.96 3fa6 s ARG 79 CO 0.00 0.34 1.49 -2.30 0.02 0.00 0.00 175.30 174.85 3fa6 n PRO 80 N 3.21 2.19 -3.96 3.54 -0.02 -1.26 -0.64 135.00 138.05 3fa6 n PRO 80 Ca -0.13 0.78 -0.08 0.00 -2.02 0.00 0.00 63.50 62.05 3fa6 n PRO 80 Cb 0.52 -2.49 -0.08 0.00 -0.02 0.00 0.00 33.50 31.43 3fa6 n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fa6 s LYS 82 N -3.89 4.22 0.18 0.00 1.02 0.26 -1.55 119.74 119.97 3fa6 s LYS 82 Ca 0.07 0.03 0.10 0.00 0.02 0.00 0.00 55.97 56.19 3fa6 s LYS 82 Cb 0.06 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 3fa6 s LYS 82 CO -0.10 0.19 -0.18 -1.12 -0.92 0.00 0.00 175.35 173.23 3fa6 s SER 83 N 0.59 3.79 -0.17 2.83 0.01 0.80 -0.57 113.70 120.98 3fa6 s SER 83 Ca 0.15 -0.72 -0.06 0.00 1.31 0.00 0.00 55.95 56.63 3fa6 s SER 83 Cb -0.13 -0.46 0.08 0.00 0.21 0.00 0.00 66.02 65.71 3fa6 s SER 83 CO 0.04 0.12 0.36 -0.22 0.41 0.00 0.00 173.24 173.95 3fa6 s LEU 84 N -2.64 -0.45 -0.16 2.44 2.96 -0.41 -1.12 118.68 119.30 3fa6 s LEU 84 Ca 0.22 0.83 -0.08 0.00 -0.22 0.00 0.00 54.13 54.88 3fa6 s LEU 84 Cb -0.09 1.11 -0.04 0.00 0.50 0.00 0.00 46.19 47.67 3fa6 s LEU 84 CO 0.12 -0.23 0.13 -0.69 -1.32 0.00 0.00 176.35 174.36 3fa6 s VAL 85 N 2.40 5.45 0.12 1.68 1.01 -1.26 -1.43 120.40 128.38 3fa6 s VAL 85 Ca -0.02 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.23 3fa6 s VAL 85 Cb -0.12 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3fa6 s VAL 85 CO -0.11 0.53 -0.16 -0.54 0.00 0.00 0.00 175.10 174.81 3fa6 s LYS 86 N -0.33 1.08 -0.02 2.72 1.02 -0.32 -0.61 119.74 123.28 3fa6 s LYS 86 Ca 0.11 -1.23 -0.30 0.00 0.02 0.00 0.00 55.97 54.57 3fa6 s LYS 86 Cb -0.11 -1.09 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 3fa6 s LYS 86 CO 0.01 0.23 1.22 -1.58 -0.92 0.00 0.00 175.35 174.30 3fa6 s TRP 87 N -1.83 3.21 0.05 3.18 0.52 -1.26 -0.84 118.94 121.98 3fa6 s TRP 87 Ca 0.09 1.20 -0.04 0.00 0.02 0.00 0.00 56.10 57.36 3fa6 s TRP 87 Cb -0.07 -3.44 -0.28 0.00 -1.15 0.00 0.00 33.47 28.53 3fa6 s TRP 87 CO 0.04 -1.41 1.06 1.49 0.02 0.00 0.00 176.95 178.14 3fa6 h GLU 88 N 7.35 0.27 -3.41 4.98 4.81 -0.85 -3.48 114.58 124.26 3fa6 h GLU 88 Ca -0.36 -0.46 -0.12 0.00 -0.13 0.00 0.00 59.36 58.30 3fa6 h GLU 88 Cb 1.17 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 3fa6 h GLU 88 CO 0.87 1.19 0.11 -1.54 -0.73 0.00 0.00 179.01 178.91 3fa6 s SER 89 N -7.10 0.36 0.56 1.04 1.04 -1.01 -4.99 113.70 103.60 3fa6 s SER 89 Ca -0.05 -1.29 0.29 0.00 0.48 0.00 0.00 55.95 55.38 3fa6 s SER 89 Cb 0.07 0.79 1.65 0.00 0.10 0.00 0.00 66.02 68.64 3fa6 s SER 89 CO 0.88 -1.57 2.16 -0.08 0.98 0.00 0.00 173.24 175.61 3fa6 h GLU 90 N 2.03 0.00 -0.15 4.02 4.81 -2.02 -2.85 114.58 120.42 3fa6 h GLU 90 Ca -0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3fa6 h GLU 90 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3fa6 h GLU 90 CO 0.40 0.06 0.00 0.09 -0.73 0.00 0.00 179.01 178.84 3fa6 n ASN 91 N -3.68 2.24 -3.74 1.04 3.02 -1.26 -4.83 115.26 108.06 3fa6 n ASN 91 Ca -0.02 -1.73 -0.14 0.00 -0.03 0.00 0.00 54.58 52.65 3fa6 n ASN 91 Cb 0.17 -0.10 -0.15 0.00 -0.61 0.00 0.00 39.78 39.09 3fa6 n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3fa6 s LYS 92 N -0.86 0.07 0.13 3.52 2.20 -1.08 -0.94 119.74 122.78 3fa6 s LYS 92 Ca 0.13 0.38 0.08 0.00 -0.36 0.00 0.00 55.97 56.19 3fa6 s LYS 92 Cb 0.08 -0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.15 3fa6 s LYS 92 CO 0.10 -0.19 -0.09 0.00 -0.36 0.00 0.00 175.35 174.82 3fa6 s MET 93 N 1.33 2.13 -0.06 4.03 0.23 -0.17 -0.12 119.30 126.67 3fa6 s MET 93 Ca -0.07 -1.10 0.02 0.00 -1.03 0.00 0.00 55.69 53.51 3fa6 s MET 93 Cb -0.12 -2.27 0.01 0.00 -1.53 0.00 0.00 34.83 30.93 3fa6 s MET 93 CO -0.06 0.48 -0.10 0.08 -2.03 0.00 0.00 175.02 173.39 3fa6 s VAL 94 N -1.39 0.97 -0.33 5.16 1.01 -0.02 -1.63 120.40 124.17 3fa6 s VAL 94 Ca 0.23 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 3fa6 s VAL 94 Cb -0.10 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.39 3fa6 s VAL 94 CO 0.15 0.32 0.16 0.00 0.00 0.00 0.00 175.10 175.72 3fa6 s GLU 96 N 1.56 4.13 -0.04 0.00 0.41 -0.51 -2.09 118.70 122.16 3fa6 s GLU 96 Ca 0.03 0.67 0.05 0.00 -0.41 0.00 0.00 54.97 55.31 3fa6 s GLU 96 Cb -0.18 -3.09 -0.01 0.00 -1.78 0.00 0.00 34.13 29.07 3fa6 s GLU 96 CO 0.06 0.56 -0.19 -0.65 -0.49 0.00 0.00 175.26 174.54 3fa6 s GLN 97 N -1.50 1.86 -0.11 1.61 -0.21 -1.20 -1.29 119.66 118.81 3fa6 s GLN 97 Ca 0.34 -0.68 0.03 0.00 0.02 0.00 0.00 55.36 55.06 3fa6 s GLN 97 Cb -0.18 -1.65 0.01 0.00 1.00 0.00 0.00 33.01 32.19 3fa6 s GLN 97 CO 0.19 0.32 -0.19 0.15 -2.12 0.00 0.00 175.29 173.64 3fa6 s LYS 98 N -0.14 2.60 0.41 2.91 1.02 0.26 -4.61 119.74 122.20 3fa6 s LYS 98 Ca -0.01 -0.71 -0.26 0.00 0.02 0.00 0.00 55.97 55.01 3fa6 s LYS 98 Cb -0.11 -2.09 -0.09 0.00 -0.52 0.00 0.00 37.83 35.02 3fa6 s LYS 98 CO 0.02 0.03 1.39 -0.51 -0.92 0.00 0.00 175.35 175.36 3fa6 s LEU 99 N 0.71 4.22 0.20 3.17 1.43 -1.26 -0.57 118.68 126.57 3fa6 s LEU 99 Ca -0.11 2.84 0.04 0.00 -1.03 0.00 0.00 54.13 55.86 3fa6 s LEU 99 Cb -0.16 -3.85 0.13 0.00 0.03 0.00 0.00 46.19 42.35 3fa6 s LEU 99 CO 0.02 -0.95 1.48 -0.07 0.23 0.00 0.00 176.35 177.06 3fa6 h LEU 100 N 2.67 0.24 -7.60 1.79 3.38 -1.74 -3.45 115.31 110.59 3fa6 h LEU 100 Ca -0.50 -0.16 -0.22 0.00 0.09 0.00 0.00 57.88 57.08 3fa6 h LEU 100 Cb 1.25 -0.07 -0.29 0.00 0.09 0.00 0.00 40.66 41.64 3fa6 h LEU 100 CO 0.63 0.89 -0.63 -0.54 0.09 0.00 0.00 178.44 178.87 3fa6 s LYS 101 N -3.48 0.08 1.16 1.13 1.02 -1.26 -5.11 119.74 113.28 3fa6 s LYS 101 Ca -0.03 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.12 3fa6 s LYS 101 Cb 0.11 -0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 3fa6 s LYS 101 CO 0.81 -0.05 0.00 0.41 -0.92 0.00 0.00 175.35 175.60 3fa6 n GLY 102 N 3.34 -1.98 3.41 -3.33 0.00 -1.26 -4.98 105.19 100.39 3fa6 n GLY 102 Ca -0.16 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 3fa6 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa6 s GLU 103 N 0.00 1.51 0.00 1.61 2.02 -1.26 -4.82 118.70 117.76 3fa6 s GLU 103 Ca 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.25 3fa6 s GLU 103 Cb 0.00 -1.22 0.00 0.00 0.10 0.00 0.00 34.13 33.01 3fa6 s GLU 103 CO 0.00 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.80 3fa6 n GLY 104 N -0.54 -1.38 3.65 -1.39 0.00 -1.26 -5.12 105.19 99.15 3fa6 n GLY 104 Ca -0.06 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 3fa6 n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fa6 n PRO 105 N -0.13 0.18 -2.73 1.61 -0.02 -1.26 -4.93 135.00 127.72 3fa6 n PRO 105 Ca 0.00 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 3fa6 n PRO 105 Cb 0.00 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.12 3fa6 n PRO 105 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3fa6 s LYS 106 N -3.92 4.33 0.13 -0.52 2.20 -1.26 -4.84 119.74 115.87 3fa6 s LYS 106 Ca 0.72 1.27 0.11 0.00 -0.36 0.00 0.00 55.97 57.71 3fa6 s LYS 106 Cb -0.29 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.40 3fa6 s LYS 106 CO 0.52 -0.44 -0.26 0.95 -0.36 0.00 0.00 175.35 175.77 3fa6 s THR 107 N 2.49 2.23 0.24 3.43 -4.23 -1.26 -0.45 115.64 118.09 3fa6 s THR 107 Ca 0.44 -1.77 -0.22 0.00 -1.18 0.00 0.00 61.69 58.96 3fa6 s THR 107 Cb -0.17 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.73 3fa6 s THR 107 CO 0.12 0.06 0.76 -0.94 -0.54 0.00 0.00 174.62 174.08 3fa6 s SER 108 N -2.10 -0.27 0.05 3.99 1.04 -1.05 -3.24 113.70 112.12 3fa6 s SER 108 Ca 0.14 -0.52 -0.02 0.00 0.48 0.00 0.00 55.95 56.03 3fa6 s SER 108 Cb -0.10 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 3fa6 s SER 108 CO 0.06 -1.23 0.02 -1.66 0.98 0.00 0.00 173.24 171.41 3fa6 s TRP 109 N -3.78 0.39 0.08 5.02 1.48 -0.89 -1.38 118.94 119.86 3fa6 s TRP 109 Ca 0.10 -0.84 0.03 0.00 -1.06 0.00 0.00 56.10 54.33 3fa6 s TRP 109 Cb -0.05 -0.28 -0.03 0.00 -1.16 0.00 0.00 33.47 31.95 3fa6 s TRP 109 CO 0.04 -0.37 -0.08 0.95 -4.06 0.00 0.00 176.95 173.43 3fa6 s THR 110 N -3.32 0.74 -0.03 0.66 -4.23 0.08 0.08 115.64 109.61 3fa6 s THR 110 Ca 0.01 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 3fa6 s THR 110 Cb 0.03 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.66 3fa6 s THR 110 CO -0.08 -0.60 -0.04 -0.76 -0.54 0.00 0.00 174.62 172.60 3fa6 s LEU 111 N -2.36 1.45 -0.01 4.79 1.43 -0.65 -1.76 118.68 121.57 3fa6 s LEU 111 Ca 0.03 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3fa6 s LEU 111 Cb -0.03 -0.38 -0.00 0.00 0.03 0.00 0.00 46.19 45.81 3fa6 s LEU 111 CO -0.01 -0.03 -0.06 -0.70 0.23 0.00 0.00 176.35 175.77 3fa6 s GLU 112 N 0.70 0.57 -0.24 1.70 2.12 -0.27 -1.00 118.70 122.27 3fa6 s GLU 112 Ca -0.09 -0.22 -0.05 0.00 0.36 0.00 0.00 54.97 54.97 3fa6 s GLU 112 Cb -0.12 -0.55 -0.01 0.00 0.26 0.00 0.00 34.13 33.71 3fa6 s GLU 112 CO -0.00 0.12 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.66 3fa6 s LEU 113 N -0.04 3.14 0.67 2.70 0.20 -0.12 -0.58 118.68 124.65 3fa6 s LEU 113 Ca 0.01 -0.45 -0.09 0.00 0.69 0.00 0.00 54.13 54.29 3fa6 s LEU 113 Cb -0.04 -1.78 0.02 0.00 -0.43 0.00 0.00 46.19 43.96 3fa6 s LEU 113 CO -0.00 -0.06 1.02 0.42 -0.29 0.00 0.00 176.35 177.44 3fa6 s THR 114 N 1.49 3.36 0.46 3.68 -4.23 0.52 -4.85 115.64 116.08 3fa6 s THR 114 Ca 0.05 0.21 0.17 0.00 -1.18 0.00 0.00 61.69 60.94 3fa6 s THR 114 Cb -0.15 -3.40 0.22 0.00 1.34 0.00 0.00 72.50 70.51 3fa6 s THR 114 CO -0.01 -0.48 2.04 0.78 -0.54 0.00 0.00 174.62 176.41 3fa6 h ASN 115 N -0.50 0.00 0.29 3.99 -0.26 -1.99 0.10 115.58 117.21 3fa6 h ASN 115 Ca -0.45 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.29 3fa6 h ASN 115 Cb 1.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.52 3fa6 h ASN 115 CO 0.63 0.14 -0.02 0.47 -1.06 0.00 0.00 177.43 177.58 3fa6 n ASP 116 N -4.24 0.15 0.00 5.81 8.00 -1.26 -4.91 116.55 120.09 3fa6 n ASP 116 Ca -0.02 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.87 3fa6 n ASP 116 Cb 0.21 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 3fa6 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fa6 n GLY 117 N 1.17 0.69 3.88 0.44 0.00 0.02 -5.07 105.19 106.33 3fa6 n GLY 117 Ca 0.18 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 3fa6 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fa6 s GLU 118 N -0.99 3.69 -0.23 1.61 2.02 -1.26 -4.37 118.70 119.17 3fa6 s GLU 118 Ca 0.00 0.06 -0.08 0.00 0.02 0.00 0.00 54.97 54.97 3fa6 s GLU 118 Cb 0.00 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 3fa6 s GLU 118 CO 0.00 0.47 0.09 -1.17 0.02 0.00 0.00 175.26 174.67 3fa6 s LEU 119 N -2.44 3.65 -0.20 1.80 2.96 -0.38 -0.35 118.68 123.72 3fa6 s LEU 119 Ca 0.40 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 54.17 3fa6 s LEU 119 Cb -0.13 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 3fa6 s LEU 119 CO 0.22 0.03 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.65 3fa6 s ILE 120 N 1.24 3.93 -0.13 6.68 1.01 0.26 -0.57 121.20 133.62 3fa6 s ILE 120 Ca 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 3fa6 s ILE 120 Cb -0.14 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 3fa6 s ILE 120 CO 0.04 0.43 -0.02 -0.62 0.00 0.00 0.00 174.94 174.77 3fa6 s ASP 121 N 1.02 4.97 0.12 3.58 2.15 0.35 -1.11 116.67 127.74 3fa6 s ASP 121 Ca 0.02 -0.03 0.09 0.00 0.43 0.00 0.00 52.55 53.07 3fa6 s ASP 121 Cb -0.14 -1.64 -0.04 0.00 -0.30 0.00 0.00 42.92 40.80 3fa6 s ASP 121 CO 0.02 0.25 -0.23 0.42 -0.17 0.00 0.00 175.17 175.45 3fa6 s THR 122 N -0.11 1.97 -0.04 1.71 -4.23 -0.72 -0.60 115.64 113.62 3fa6 s THR 122 Ca 0.03 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 3fa6 s THR 122 Cb -0.13 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 71.95 3fa6 s THR 122 CO 0.02 -0.01 -0.08 -0.04 -0.54 0.00 0.00 174.62 173.97 3fa6 s MET 123 N -2.02 1.03 0.07 3.99 -1.94 -0.52 -0.74 119.30 119.16 3fa6 s MET 123 Ca 0.10 -0.27 0.06 0.00 -1.71 0.00 0.00 55.69 53.87 3fa6 s MET 123 Cb -0.10 -0.95 -0.03 0.00 2.01 0.00 0.00 34.83 35.76 3fa6 s MET 123 CO 0.05 0.06 -0.16 -0.08 -0.01 0.00 0.00 175.02 174.88 3fa6 s THR 124 N 0.42 1.25 -0.15 2.05 -1.32 -0.48 -0.68 115.64 116.73 3fa6 s THR 124 Ca -0.07 -1.25 -0.02 0.00 -1.21 0.00 0.00 61.69 59.14 3fa6 s THR 124 Cb -0.11 -1.16 0.05 0.00 -1.51 0.00 0.00 72.50 69.77 3fa6 s THR 124 CO 0.01 -0.10 0.02 0.00 -2.21 0.00 0.00 174.62 172.33 3fa6 s ALA 125 N -1.10 0.95 0.00 11.08 0.00 -0.49 -2.53 121.76 129.67 3fa6 s ALA 125 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3fa6 s ALA 125 Cb -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.99 3fa6 s ALA 125 CO 0.02 -0.91 0.00 -0.25 0.00 0.00 0.00 175.76 174.62 3fa6 n ASP 126 N 5.06 0.00 -1.44 0.00 8.00 0.40 -1.12 116.55 127.45 3fa6 n ASP 126 Ca -0.09 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.50 3fa6 n ASP 126 Cb 0.48 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.91 3fa6 n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3fa6 n ASP 127 N 6.18 4.54 -4.65 -2.24 5.75 -1.26 -4.90 116.55 119.98 3fa6 n ASP 127 Ca 0.00 -2.46 -0.35 0.00 -0.01 0.00 0.00 54.79 51.97 3fa6 n ASP 127 Cb 0.00 -0.55 -0.09 0.00 -1.03 0.00 0.00 41.12 39.45 3fa6 n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3fa6 s VAL 128 N -1.86 4.88 -0.10 2.12 1.01 -0.27 -5.09 120.40 121.09 3fa6 s VAL 128 Ca 0.48 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.48 3fa6 s VAL 128 Cb 0.31 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.50 3fa6 s VAL 128 CO 0.22 0.45 -0.17 -0.69 0.00 0.00 0.00 175.10 174.92 3fa6 s VAL 129 N 0.41 1.58 -0.13 2.92 1.01 -1.26 -1.40 120.40 123.53 3fa6 s VAL 129 Ca 0.04 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 3fa6 s VAL 129 Cb -0.12 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3fa6 s VAL 129 CO -0.00 0.46 0.21 0.00 0.00 0.00 0.00 175.10 175.77 3fa6 s THR 131 N -0.44 1.34 0.03 0.00 2.01 -0.77 -1.44 115.64 116.38 3fa6 s THR 131 Ca 0.15 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 61.61 3fa6 s THR 131 Cb -0.13 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 3fa6 s THR 131 CO 0.04 0.40 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.66 3fa6 s LYS 132 N 0.61 1.19 -0.03 4.92 1.02 0.24 -0.77 119.74 126.92 3fa6 s LYS 132 Ca -0.15 -0.78 0.07 0.00 0.02 0.00 0.00 55.97 55.13 3fa6 s LYS 132 Cb -0.16 -1.22 -0.01 0.00 -0.52 0.00 0.00 37.83 35.91 3fa6 s LYS 132 CO 0.05 0.31 -0.23 0.08 -0.92 0.00 0.00 175.35 174.65 3fa6 s VAL 133 N -0.71 1.81 0.13 3.17 1.01 -0.10 -0.49 120.40 125.21 3fa6 s VAL 133 Ca 0.05 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3fa6 s VAL 133 Cb -0.08 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3fa6 s VAL 133 CO 0.01 0.51 -0.09 -0.36 0.00 0.00 0.00 175.10 175.17 3fa6 s PHE 134 N -0.42 1.13 0.22 5.22 0.40 0.26 -0.26 117.98 124.54 3fa6 s PHE 134 Ca 0.05 -0.81 0.09 0.00 -0.60 0.00 0.00 56.93 55.66 3fa6 s PHE 134 Cb -0.10 -0.60 -0.05 0.00 0.51 0.00 0.00 43.02 42.79 3fa6 s PHE 134 CO 0.00 0.00 -0.16 0.14 0.70 0.00 0.00 175.22 175.90 3fa6 s VAL 135 N -3.43 1.96 0.01 -0.44 -7.23 -0.30 -1.25 120.40 109.73 3fa6 s VAL 135 Ca 0.15 -2.25 -0.30 0.00 -1.81 0.00 0.00 61.98 57.78 3fa6 s VAL 135 Cb 0.04 -2.10 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 3fa6 s VAL 135 CO -0.01 -0.52 0.96 -0.60 -0.31 0.00 0.00 175.10 174.62 3fa6 s ARG 136 N -3.54 4.57 0.00 4.82 3.52 -1.26 -0.60 118.95 126.46 3fa6 s ARG 136 Ca 0.24 1.40 0.23 0.00 -0.13 0.00 0.00 55.73 57.47 3fa6 s ARG 136 Cb -0.02 -3.45 1.38 0.00 -1.56 0.00 0.00 34.95 31.29 3fa6 s ARG 136 CO 0.09 -0.01 1.75 -1.91 -0.81 0.00 0.00 175.30 174.41