#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i17 s ASN 2 N 0.00 4.12 0.00 2.55 3.84 -1.26 -4.98 114.94 119.21 3i17 s ASN 2 Ca 0.00 -0.81 0.30 0.00 0.21 0.00 0.00 52.86 52.56 3i17 s ASN 2 Cb 0.00 -1.63 1.40 0.00 -0.55 0.00 0.00 41.25 40.46 3i17 s ASN 2 CO 0.00 -0.10 1.94 0.49 -2.79 0.00 0.00 177.10 176.65 3i17 n PHE 3 N 4.66 0.00 -2.04 0.43 3.01 -1.26 -4.94 117.46 117.32 3i17 n PHE 3 Ca -0.17 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.89 3i17 n PHE 3 Cb 0.48 -0.05 -0.00 0.00 -0.01 0.00 0.00 39.48 39.90 3i17 n PHE 3 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3i17 s SER 4 N -2.12 6.27 0.00 4.37 0.01 -1.26 -4.68 113.70 116.28 3i17 s SER 4 Ca 0.39 2.66 0.00 0.00 1.31 0.00 0.00 55.95 60.32 3i17 s SER 4 Cb 0.21 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3i17 s SER 4 CO 0.38 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.77 3i17 n GLY 5 N 0.66 1.24 3.42 3.44 0.00 -0.36 -4.95 105.19 108.63 3i17 n GLY 5 Ca 0.04 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 3i17 n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i17 s ASN 6 N 0.00 5.88 -0.14 1.61 0.01 -1.26 -1.27 114.94 119.77 3i17 s ASN 6 Ca 0.00 -0.91 -0.07 0.00 -0.71 0.00 0.00 52.86 51.17 3i17 s ASN 6 Cb 0.00 -2.08 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 3i17 s ASN 6 CO 0.00 -0.39 0.10 0.26 -1.51 0.00 0.00 177.10 175.55 3i17 s TRP 7 N 1.61 3.41 -0.04 2.20 0.52 0.81 -0.52 118.94 126.93 3i17 s TRP 7 Ca 0.03 0.33 0.07 0.00 0.02 0.00 0.00 56.10 56.55 3i17 s TRP 7 Cb -0.19 -1.98 -0.01 0.00 -1.15 0.00 0.00 33.47 30.13 3i17 s TRP 7 CO 0.08 0.48 -0.25 0.15 0.02 0.00 0.00 176.95 177.43 3i17 s LYS 8 N -0.44 2.36 0.18 4.98 -0.14 0.12 -1.61 119.74 125.19 3i17 s LYS 8 Ca 0.11 -0.91 -0.30 0.00 -1.36 0.00 0.00 55.97 53.51 3i17 s LYS 8 Cb -0.12 -2.09 -0.08 0.00 -1.68 0.00 0.00 37.83 33.86 3i17 s LYS 8 CO 0.02 0.45 1.17 -1.50 -0.76 0.00 0.00 175.35 174.72 3i17 s ILE 9 N -0.33 3.67 0.00 2.17 2.07 -1.26 -1.34 121.20 126.19 3i17 s ILE 9 Ca 0.02 1.41 0.00 0.00 -1.41 0.00 0.00 60.65 60.67 3i17 s ILE 9 Cb -0.12 -3.90 0.00 0.00 0.13 0.00 0.00 42.46 38.57 3i17 s ILE 9 CO 0.02 0.23 0.00 2.30 -1.91 0.00 0.00 174.94 175.58 3i17 n ILE 10 N 2.49 0.00 -3.80 2.00 -5.35 0.41 -4.92 119.36 110.20 3i17 n ILE 10 Ca 0.04 -0.13 -0.13 0.00 -0.27 0.00 0.00 62.75 62.26 3i17 n ILE 10 Cb 0.45 0.61 -0.10 0.00 -1.74 0.00 0.00 39.64 38.86 3i17 n ILE 10 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3i17 s ARG 11 N -1.51 0.48 -0.10 6.28 1.81 -1.01 -4.97 118.95 119.92 3i17 s ARG 11 Ca 0.00 -0.02 -0.05 0.00 -1.72 0.00 0.00 55.73 53.94 3i17 s ARG 11 Cb 0.00 0.21 0.05 0.00 -0.45 0.00 0.00 34.95 34.76 3i17 s ARG 11 CO 0.00 -0.11 0.24 0.45 -0.68 0.00 0.00 175.30 175.20 3i17 s SER 12 N -0.75 -0.24 -0.06 0.23 0.15 -1.26 -1.27 113.70 110.50 3i17 s SER 12 Ca -0.08 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.08 3i17 s SER 12 Cb -0.04 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 3i17 s SER 12 CO 0.02 -0.17 -0.03 -0.70 1.20 0.00 0.00 173.24 173.56 3i17 s GLU 13 N 1.28 0.83 -0.21 5.44 2.56 0.25 -4.86 118.70 123.99 3i17 s GLU 13 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.97 54.83 3i17 s GLU 13 Cb -0.10 -0.96 0.00 0.00 2.00 0.00 0.00 34.13 35.06 3i17 s GLU 13 CO -0.08 -0.17 0.00 -1.71 -0.56 0.00 0.00 175.26 172.73 3i17 n ASN 14 N 4.50 -3.70 -0.03 -1.70 5.15 -1.26 -1.71 115.26 116.52 3i17 n ASN 14 Ca -0.18 0.05 -0.12 0.00 -0.60 0.00 0.00 54.58 53.73 3i17 n ASN 14 Cb 0.50 -1.38 -0.07 0.00 -0.53 0.00 0.00 39.78 38.31 3i17 n ASN 14 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3i17 h PHE 15 N 0.00 0.19 -0.37 1.20 3.57 -1.89 -1.52 116.94 118.11 3i17 h PHE 15 Ca -0.04 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.29 3i17 h PHE 15 Cb 0.28 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3i17 h PHE 15 CO 0.15 0.46 -0.31 1.49 -2.23 0.00 0.00 178.31 177.87 3i17 h GLU 16 N -0.14 0.81 -0.50 1.11 4.81 -1.93 -1.67 114.58 117.07 3i17 h GLU 16 Ca 0.02 -0.38 -0.08 0.00 -0.13 0.00 0.00 59.36 58.80 3i17 h GLU 16 Cb 0.40 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3i17 h GLU 16 CO 0.01 1.01 -0.02 0.93 -0.73 0.00 0.00 179.01 180.21 3i17 h GLU 17 N 0.68 0.84 -0.36 1.92 3.07 -1.97 0.90 114.58 119.66 3i17 h GLU 17 Ca 0.08 -0.24 -0.03 0.00 -0.50 0.00 0.00 59.36 58.66 3i17 h GLU 17 Cb 0.85 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 3i17 h GLU 17 CO 0.07 0.86 0.10 1.25 -1.40 0.00 0.00 179.01 179.89 3i17 h LEU 18 N 0.78 0.53 -1.31 1.33 5.85 -1.00 -1.84 115.31 119.65 3i17 h LEU 18 Ca 0.15 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3i17 h LEU 18 Cb 0.49 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3i17 h LEU 18 CO 0.02 0.61 0.47 -0.07 -0.34 0.00 0.00 178.44 179.14 3i17 h LEU 19 N 0.42 0.80 -0.22 2.25 3.38 -0.76 -2.47 115.31 118.71 3i17 h LEU 19 Ca 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3i17 h LEU 19 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3i17 h LEU 19 CO -0.00 0.57 0.11 0.50 0.09 0.00 0.00 178.44 179.70 3i17 h LYS 20 N 0.94 0.32 0.00 1.13 3.64 -0.30 -1.66 116.57 120.63 3i17 h LYS 20 Ca 0.27 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3i17 h LYS 20 Cb -0.06 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3i17 h LYS 20 CO -0.06 0.34 -0.01 -0.39 -2.27 0.00 0.00 179.45 177.06 3i17 h VAL 21 N 0.23 0.02 -0.00 2.00 -1.51 -1.12 -1.53 116.25 114.34 3i17 h VAL 21 Ca 0.08 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 3i17 h VAL 21 Cb 0.13 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3i17 h VAL 21 CO -0.01 0.01 -0.11 0.18 -1.23 0.00 0.00 177.57 176.41 3i17 n LEU 22 N -3.10 0.27 0.00 4.19 4.77 -0.95 -4.94 117.00 117.24 3i17 n LEU 22 Ca 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3i17 n LEU 22 Cb 0.28 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i17 n LEU 22 CO 0.26 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3i17 n GLY 23 N 1.35 0.79 3.72 -0.72 0.00 -0.57 -5.05 105.19 104.70 3i17 n GLY 23 Ca 0.12 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3i17 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i17 s VAL 24 N -2.00 3.53 0.84 1.61 1.01 -0.65 -4.99 120.40 119.75 3i17 s VAL 24 Ca 0.00 1.14 -0.11 0.00 0.00 0.00 0.00 61.98 63.01 3i17 s VAL 24 Cb 0.00 -3.73 0.10 0.00 0.00 0.00 0.00 36.38 32.75 3i17 s VAL 24 CO 0.00 0.11 1.10 0.54 0.00 0.00 0.00 175.10 176.85 3i17 s ASN 25 N 0.85 3.87 0.27 3.32 4.22 -1.26 -4.61 114.94 121.61 3i17 s ASN 25 Ca 0.60 1.77 0.01 0.00 -2.14 0.00 0.00 52.86 53.10 3i17 s ASN 25 Cb -0.34 -2.42 0.38 0.00 1.28 0.00 0.00 41.25 40.15 3i17 s ASN 25 CO 0.32 -2.43 1.73 1.62 -2.04 0.00 0.00 177.10 176.30 3i17 h VAL 26 N -1.40 1.25 0.10 3.54 3.04 -1.99 -1.55 116.25 119.24 3i17 h VAL 26 Ca -0.46 -1.19 -0.00 0.00 -1.01 0.00 0.00 66.70 64.05 3i17 h VAL 26 Cb 1.25 1.21 -0.00 0.00 -2.01 0.00 0.00 31.29 31.74 3i17 h VAL 26 CO 0.51 0.39 -0.07 0.24 -1.01 0.00 0.00 177.57 177.63 3i17 h MET 27 N 0.53 -0.16 -0.82 4.17 2.86 -2.00 -1.33 114.93 118.17 3i17 h MET 27 Ca 0.09 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3i17 h MET 27 Cb 0.61 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 3i17 h MET 27 CO 0.04 -0.11 0.36 -0.07 1.06 0.00 0.00 176.91 178.20 3i17 h LEU 28 N -0.17 1.09 0.02 1.22 3.38 -1.84 -2.27 115.31 116.74 3i17 h LEU 28 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3i17 h LEU 28 Cb 0.15 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3i17 h LEU 28 CO -0.00 0.94 -0.03 0.03 0.09 0.00 0.00 178.44 179.47 3i17 h ARG 29 N 1.17 -0.06 -0.90 1.13 3.08 -1.15 -0.26 114.38 117.39 3i17 h ARG 29 Ca 0.28 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.36 3i17 h ARG 29 Cb 0.16 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 3i17 h ARG 29 CO -0.03 -0.04 0.58 0.87 -1.07 0.00 0.00 179.97 180.29 3i17 h LYS 30 N -0.06 1.11 -0.38 0.04 6.56 -1.08 -1.59 116.57 121.17 3i17 h LYS 30 Ca 0.00 -0.07 -0.16 0.00 -1.06 0.00 0.00 60.65 59.37 3i17 h LYS 30 Cb 0.06 -0.25 -0.01 0.00 -0.57 0.00 0.00 32.23 31.47 3i17 h LYS 30 CO -0.01 0.73 -0.38 -0.84 -2.06 0.00 0.00 179.45 176.89 3i17 h ILE 31 N 1.14 1.27 -0.23 1.86 3.07 -1.26 -2.34 117.51 121.02 3i17 h ILE 31 Ca 0.36 -1.56 0.07 0.00 1.55 0.00 0.00 64.86 65.28 3i17 h ILE 31 Cb -0.01 1.38 -0.01 0.00 -0.27 0.00 0.00 36.82 37.92 3i17 h ILE 31 CO -0.11 0.52 0.19 0.00 -1.05 0.00 0.00 178.15 177.70 3i17 h ALA 32 N 0.81 2.05 -0.23 0.16 0.00 -0.08 -1.72 119.26 120.24 3i17 h ALA 32 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i17 h ALA 32 Cb 0.97 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3i17 h ALA 32 CO 0.09 -0.31 0.00 1.33 0.00 0.00 0.00 179.25 180.37 3i17 n VAL 33 N -4.17 0.41 -1.72 0.00 0.24 -0.86 -4.76 118.33 107.46 3i17 n VAL 33 Ca 0.03 -0.71 -0.33 0.00 -2.04 0.00 0.00 64.34 61.29 3i17 n VAL 33 Cb 0.33 1.00 0.05 0.00 -1.47 0.00 0.00 33.84 33.75 3i17 n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i17 s ALA 34 N -1.23 2.47 0.29 2.33 0.00 -0.65 -4.91 121.76 120.06 3i17 s ALA 34 Ca 0.26 0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.76 3i17 s ALA 34 Cb 0.16 -3.31 0.68 0.00 0.00 0.00 0.00 23.12 20.65 3i17 s ALA 34 CO 0.22 -1.30 1.75 0.00 0.00 0.00 0.00 175.76 176.43 3i17 h ALA 35 N -0.07 1.51 0.00 0.00 0.00 -1.91 0.18 119.26 118.98 3i17 h ALA 35 Ca -0.46 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3i17 h ALA 35 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3i17 h ALA 35 CO 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3i17 n ALA 36 N -2.39 1.47 -0.40 0.00 0.00 -1.26 -1.86 120.51 116.07 3i17 n ALA 36 Ca 0.21 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.85 3i17 n ALA 36 Cb 0.56 -1.36 0.24 0.00 0.00 0.00 0.00 19.45 18.89 3i17 n ALA 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i17 n SER 37 N -2.22 3.63 -4.68 0.00 7.64 0.64 -1.93 113.62 116.69 3i17 n SER 37 Ca 0.01 -2.20 -0.42 0.00 1.01 0.00 0.00 58.87 57.27 3i17 n SER 37 Cb 0.17 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 3i17 n SER 37 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3i17 s LYS 38 N -1.37 4.19 0.17 1.43 1.02 -0.78 -4.85 119.74 119.55 3i17 s LYS 38 Ca 0.37 2.32 -0.30 0.00 0.02 0.00 0.00 55.97 58.38 3i17 s LYS 38 Cb 0.22 -3.71 -0.07 0.00 -0.52 0.00 0.00 37.83 33.75 3i17 s LYS 38 CO 0.21 -0.77 0.96 -1.25 -0.92 0.00 0.00 175.35 173.58 3i17 s PRO 39 N 3.02 4.75 -0.09 -1.68 0.04 -1.26 -4.54 135.00 135.24 3i17 s PRO 39 Ca 0.75 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 3i17 s PRO 39 Cb -0.39 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 3i17 s PRO 39 CO 0.32 0.32 0.05 0.00 0.04 0.00 0.00 177.00 177.73 3i17 s ALA 40 N -0.47 3.49 -0.10 8.56 0.00 0.25 -4.05 121.76 129.44 3i17 s ALA 40 Ca 0.45 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.66 3i17 s ALA 40 Cb -0.25 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.25 3i17 s ALA 40 CO 0.31 0.61 -0.15 0.08 0.00 0.00 0.00 175.76 176.60 3i17 s VAL 41 N -0.96 1.50 -0.17 0.00 1.01 -0.64 -1.00 120.40 120.15 3i17 s VAL 41 Ca 0.15 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 3i17 s VAL 41 Cb -0.12 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 3i17 s VAL 41 CO 0.04 0.44 -0.08 -0.70 0.00 0.00 0.00 175.10 174.80 3i17 s GLU 42 N 0.91 3.44 -0.03 2.72 2.12 0.17 -0.13 118.70 127.89 3i17 s GLU 42 Ca -0.08 -0.63 0.07 0.00 0.36 0.00 0.00 54.97 54.69 3i17 s GLU 42 Cb -0.15 -2.83 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 3i17 s GLU 42 CO -0.00 0.07 -0.23 0.42 -0.54 0.00 0.00 175.26 174.97 3i17 s ILE 43 N 0.77 1.88 -0.18 -3.70 1.01 -0.40 -0.56 121.20 120.02 3i17 s ILE 43 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.63 3i17 s ILE 43 Cb -0.15 -1.57 0.04 0.00 0.01 0.00 0.00 42.46 40.79 3i17 s ILE 43 CO 0.02 0.53 -0.10 -0.54 0.00 0.00 0.00 174.94 174.85 3i17 s LYS 44 N -0.36 1.93 -0.15 2.79 1.02 -0.15 -1.22 119.74 123.60 3i17 s LYS 44 Ca 0.03 -0.72 -0.03 0.00 0.02 0.00 0.00 55.97 55.27 3i17 s LYS 44 Cb -0.11 -2.27 -0.02 0.00 -0.52 0.00 0.00 37.83 34.91 3i17 s LYS 44 CO 0.01 -0.40 -0.06 -1.14 -0.92 0.00 0.00 175.35 172.84 3i17 s GLN 45 N 1.47 3.60 -0.39 1.68 0.74 -1.26 -1.37 119.66 124.12 3i17 s GLN 45 Ca 0.00 -0.56 0.02 0.00 0.05 0.00 0.00 55.36 54.87 3i17 s GLN 45 Cb -0.15 -2.86 0.12 0.00 1.10 0.00 0.00 33.01 31.22 3i17 s GLN 45 CO -0.08 0.21 0.16 -1.21 -0.55 0.00 0.00 175.29 173.82 3i17 s GLU 46 N 0.41 1.25 7.93 1.67 2.02 0.39 -4.85 118.70 127.52 3i17 s GLU 46 Ca -0.05 -1.79 0.00 0.00 0.02 0.00 0.00 54.97 53.14 3i17 s GLU 46 Cb -0.15 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.54 3i17 s GLU 46 CO 0.03 -1.06 0.00 0.41 0.02 0.00 0.00 175.26 174.67 3i17 n GLY 47 N 4.01 3.60 0.54 -1.39 0.00 -1.26 -1.77 105.19 108.92 3i17 n GLY 47 Ca 0.04 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.12 3i17 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i17 n ASP 48 N 8.60 1.68 -4.70 1.61 8.00 -1.26 -4.87 116.55 125.61 3i17 n ASP 48 Ca 0.00 -1.59 -0.37 0.00 0.71 0.00 0.00 54.79 53.54 3i17 n ASP 48 Cb 0.00 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 40.99 3i17 n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i17 s THR 49 N -1.94 5.29 0.01 -3.53 2.01 -0.73 -0.83 115.64 115.92 3i17 s THR 49 Ca 0.36 0.50 0.07 0.00 0.31 0.00 0.00 61.69 62.93 3i17 s THR 49 Cb 0.20 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 3i17 s THR 49 CO 0.32 0.34 -0.22 -0.36 -0.69 0.00 0.00 174.62 174.01 3i17 s PHE 50 N 0.83 1.95 -0.14 4.92 0.40 0.34 -0.46 117.98 125.81 3i17 s PHE 50 Ca 0.15 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 3i17 s PHE 50 Cb -0.13 -1.22 0.01 0.00 0.51 0.00 0.00 43.02 42.19 3i17 s PHE 50 CO 0.05 0.02 -0.19 -0.47 0.70 0.00 0.00 175.22 175.33 3i17 s TYR 51 N -0.62 2.46 -0.13 0.36 5.04 -0.47 -1.57 117.35 122.41 3i17 s TYR 51 Ca 0.09 -1.29 0.00 0.00 -2.44 0.00 0.00 57.07 53.42 3i17 s TYR 51 Cb -0.09 -1.71 0.02 0.00 0.35 0.00 0.00 41.96 40.53 3i17 s TYR 51 CO 0.00 -0.63 -0.11 0.42 -1.34 0.00 0.00 175.55 173.89 3i17 s ILE 52 N 1.04 1.29 -0.19 3.14 1.01 -0.18 -0.98 121.20 126.33 3i17 s ILE 52 Ca -0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 3i17 s ILE 52 Cb -0.14 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 3i17 s ILE 52 CO -0.05 0.41 -0.06 -0.75 0.00 0.00 0.00 174.94 174.49 3i17 s LYS 53 N 1.57 3.45 -0.17 2.79 2.20 0.28 -0.93 119.74 128.94 3i17 s LYS 53 Ca 0.04 -0.61 -0.02 0.00 -0.36 0.00 0.00 55.97 55.02 3i17 s LYS 53 Cb -0.13 -2.92 -0.01 0.00 -1.51 0.00 0.00 37.83 33.26 3i17 s LYS 53 CO -0.09 -0.01 -0.09 0.99 -0.36 0.00 0.00 175.35 175.79 3i17 s THR 54 N 1.00 3.25 -0.00 3.43 2.01 0.00 -0.66 115.64 124.66 3i17 s THR 54 Ca 0.00 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.46 3i17 s THR 54 Cb -0.15 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 3i17 s THR 54 CO 0.00 0.48 -0.09 -0.44 -0.69 0.00 0.00 174.62 173.88 3i17 s SER 55 N 0.79 1.11 0.05 3.53 0.01 -0.17 -1.20 113.70 117.82 3i17 s SER 55 Ca -0.03 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.04 3i17 s SER 55 Cb -0.15 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.97 3i17 s SER 55 CO 0.01 0.10 0.01 0.35 0.41 0.00 0.00 173.24 174.13 3i17 n THR 56 N 2.77 0.00 0.27 1.44 -2.24 0.39 -0.58 114.28 116.34 3i17 n THR 56 Ca -0.14 -0.23 0.15 0.00 -2.27 0.00 0.00 64.05 61.56 3i17 n THR 56 Cb 0.57 -0.12 0.76 0.00 -2.10 0.00 0.00 70.33 69.43 3i17 n THR 56 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3i17 h THR 57 N 0.86 0.30 -0.00 4.28 1.35 -1.64 -3.31 112.91 114.75 3i17 h THR 57 Ca -0.04 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3i17 h THR 57 Cb 0.13 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3i17 h THR 57 CO 0.07 0.08 -0.08 1.33 -0.25 0.00 0.00 175.52 176.67 3i17 n VAL 58 N -3.34 0.00 -3.99 6.82 0.24 -1.26 -5.06 118.33 111.74 3i17 n VAL 58 Ca -0.01 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.34 61.74 3i17 n VAL 58 Cb 0.26 1.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.52 3i17 n VAL 58 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3i17 s ARG 59 N -1.10 0.36 -0.13 7.34 3.52 -1.25 -5.14 118.95 122.54 3i17 s ARG 59 Ca 0.01 -0.69 -0.07 0.00 -0.13 0.00 0.00 55.73 54.85 3i17 s ARG 59 Cb 0.01 0.13 0.05 0.00 -1.56 0.00 0.00 34.95 33.58 3i17 s ARG 59 CO 0.07 -0.06 0.32 -0.08 -0.81 0.00 0.00 175.30 174.73 3i17 s THR 60 N -1.80 -0.05 0.03 4.11 -1.32 -1.26 -0.46 115.64 114.89 3i17 s THR 60 Ca -0.13 0.13 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 3i17 s THR 60 Cb -0.07 -0.48 -0.02 0.00 -1.51 0.00 0.00 72.50 70.41 3i17 s THR 60 CO -0.02 0.05 -0.07 0.42 -2.21 0.00 0.00 174.62 172.79 3i17 s THR 61 N 1.37 0.49 -0.01 5.08 -4.23 -0.34 -5.01 115.64 112.98 3i17 s THR 61 Ca -0.09 -0.94 0.04 0.00 -1.18 0.00 0.00 61.69 59.52 3i17 s THR 61 Cb -0.10 -0.55 -0.01 0.00 1.34 0.00 0.00 72.50 73.19 3i17 s THR 61 CO -0.10 -0.31 -0.12 -1.83 -0.54 0.00 0.00 174.62 171.71 3i17 s GLU 62 N -1.35 1.05 0.11 3.99 -1.05 -1.26 -0.82 118.70 119.38 3i17 s GLU 62 Ca -0.08 -0.43 0.10 0.00 -0.15 0.00 0.00 54.97 54.41 3i17 s GLU 62 Cb -0.09 -1.00 -0.04 0.00 -0.44 0.00 0.00 34.13 32.57 3i17 s GLU 62 CO 0.00 0.24 -0.25 0.96 0.95 0.00 0.00 175.26 177.16 3i17 s ILE 63 N -0.18 2.11 -0.06 1.83 -4.36 -0.11 -5.00 121.20 115.43 3i17 s ILE 63 Ca 0.03 -1.65 0.01 0.00 -0.26 0.00 0.00 60.65 58.78 3i17 s ILE 63 Cb -0.06 -1.87 0.02 0.00 1.25 0.00 0.00 42.46 41.81 3i17 s ILE 63 CO -0.00 0.10 -0.06 0.20 0.24 0.00 0.00 174.94 175.42 3i17 s ASN 64 N -1.89 1.43 0.11 4.36 0.01 -1.26 -1.01 114.94 116.68 3i17 s ASN 64 Ca 0.12 -0.19 -0.14 0.00 -0.71 0.00 0.00 52.86 51.94 3i17 s ASN 64 Cb -0.10 -0.59 0.03 0.00 0.41 0.00 0.00 41.25 40.99 3i17 s ASN 64 CO 0.05 -0.07 0.35 0.72 -1.51 0.00 0.00 177.10 176.64 3i17 s PHE 65 N 1.16 -0.12 -0.04 2.20 -0.12 -0.61 -4.95 117.98 115.49 3i17 s PHE 65 Ca -0.07 -0.21 0.06 0.00 -0.05 0.00 0.00 56.93 56.66 3i17 s PHE 65 Cb -0.14 0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.41 3i17 s PHE 65 CO -0.01 -0.66 -0.23 0.21 -0.05 0.00 0.00 175.22 174.48 3i17 s LYS 66 N -3.77 2.39 0.21 1.99 2.20 -1.26 -0.51 119.74 121.00 3i17 s LYS 66 Ca 0.03 -0.86 -0.32 0.00 -0.36 0.00 0.00 55.97 54.46 3i17 s LYS 66 Cb 0.02 -2.18 -0.13 0.00 -1.51 0.00 0.00 37.83 34.04 3i17 s LYS 66 CO -0.11 0.50 1.58 0.28 -0.36 0.00 0.00 175.35 177.24 3i17 n VAL 67 N 2.63 0.35 -0.68 4.02 0.31 -0.01 -1.87 118.33 123.08 3i17 n VAL 67 Ca -0.17 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3i17 n VAL 67 Cb 0.52 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 3i17 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i17 n GLY 68 N 3.10 0.82 3.23 2.92 0.00 0.61 -5.01 105.19 110.86 3i17 n GLY 68 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3i17 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i17 s GLU 69 N -0.32 3.10 0.45 1.61 2.02 -0.78 -4.99 118.70 119.79 3i17 s GLU 69 Ca 0.00 -0.83 -0.25 0.00 0.02 0.00 0.00 54.97 53.91 3i17 s GLU 69 Cb 0.00 -2.43 -0.08 0.00 0.10 0.00 0.00 34.13 31.72 3i17 s GLU 69 CO 0.00 0.10 1.30 -1.21 0.02 0.00 0.00 175.26 175.47 3i17 s GLU 70 N 0.56 3.74 0.27 1.61 2.02 -1.26 -4.56 118.70 121.08 3i17 s GLU 70 Ca -0.12 2.14 -0.02 0.00 0.02 0.00 0.00 54.97 56.99 3i17 s GLU 70 Cb -0.17 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.45 3i17 s GLU 70 CO 0.04 -0.68 0.31 -0.59 0.02 0.00 0.00 175.26 174.36 3i17 s PHE 71 N -1.31 1.13 -0.10 1.61 -0.71 -0.40 -4.98 117.98 113.22 3i17 s PHE 71 Ca 0.61 -1.30 0.00 0.00 -1.04 0.00 0.00 56.93 55.20 3i17 s PHE 71 Cb -0.38 -0.35 -0.02 0.00 -1.21 0.00 0.00 43.02 41.06 3i17 s PHE 71 CO 0.47 -0.87 -0.09 -2.00 -1.34 0.00 0.00 175.22 171.38 3i17 s GLU 72 N -3.71 3.05 0.00 1.99 2.12 -1.26 0.24 118.70 121.13 3i17 s GLU 72 Ca 0.34 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.07 3i17 s GLU 72 Cb 0.03 -2.62 0.00 0.00 0.26 0.00 0.00 34.13 31.80 3i17 s GLU 72 CO 0.17 0.45 0.00 -0.85 -0.54 0.00 0.00 175.26 174.49 3i17 n GLU 73 N 2.84 0.00 -4.52 4.30 0.28 -0.57 -4.95 120.64 118.02 3i17 n GLU 73 Ca -0.18 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.53 3i17 n GLU 73 Cb 0.53 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.26 3i17 n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3i17 s GLN 74 N 0.79 1.56 1.00 3.44 -0.21 -1.26 -0.60 119.66 124.38 3i17 s GLN 74 Ca 0.00 -1.26 -0.14 0.00 0.02 0.00 0.00 55.36 53.98 3i17 s GLN 74 Cb 0.00 -1.95 0.19 0.00 1.00 0.00 0.00 33.01 32.24 3i17 s GLN 74 CO 0.00 0.47 1.13 0.95 -2.12 0.00 0.00 175.29 175.72 3i17 s THR 75 N -1.00 1.94 -1.97 -0.19 -4.23 0.10 -4.81 115.64 105.48 3i17 s THR 75 Ca 0.14 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.68 3i17 s THR 75 Cb -0.10 -2.63 0.09 0.00 1.34 0.00 0.00 72.50 71.20 3i17 s THR 75 CO 0.05 0.00 0.69 0.55 -0.54 0.00 0.00 174.62 175.38 3i17 n VAL 76 N -4.08 0.05 -2.37 2.29 3.14 -1.26 -0.53 118.33 115.57 3i17 n VAL 76 Ca 0.07 0.01 0.01 0.00 -2.96 0.00 0.00 64.34 61.48 3i17 n VAL 76 Cb 0.59 -0.96 0.06 0.00 -1.06 0.00 0.00 33.84 32.47 3i17 n VAL 76 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3i17 n ASP 77 N -1.02 1.63 0.00 6.55 5.75 -1.26 -5.03 116.55 123.18 3i17 n ASP 77 Ca 0.02 -2.52 0.00 0.00 -0.01 0.00 0.00 54.79 52.28 3i17 n ASP 77 Cb 0.01 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 3i17 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i17 n GLY 78 N -0.18 0.41 3.76 6.12 0.00 0.31 -5.02 105.19 110.59 3i17 n GLY 78 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3i17 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i17 s ARG 79 N -0.49 4.26 0.27 1.61 0.52 -1.26 -4.75 118.95 119.11 3i17 s ARG 79 Ca 0.00 0.54 -0.31 0.00 -0.52 0.00 0.00 55.73 55.44 3i17 s ARG 79 Cb 0.00 -3.37 -0.12 0.00 0.52 0.00 0.00 34.95 31.98 3i17 s ARG 79 CO 0.00 0.32 1.52 -2.30 0.02 0.00 0.00 175.30 174.86 3i17 n PRO 80 N 3.03 2.43 -4.07 3.54 -0.02 -1.26 0.01 135.00 138.66 3i17 n PRO 80 Ca -0.08 0.86 -0.07 0.00 -2.02 0.00 0.00 63.50 62.19 3i17 n PRO 80 Cb 0.52 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 3i17 n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i17 s LYS 82 N -3.54 4.26 0.19 0.00 2.20 0.42 -1.51 119.74 121.76 3i17 s LYS 82 Ca 0.03 0.23 0.11 0.00 -0.36 0.00 0.00 55.97 55.99 3i17 s LYS 82 Cb 0.05 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3i17 s LYS 82 CO -0.09 0.13 -0.22 -1.12 -0.36 0.00 0.00 175.35 173.69 3i17 s SER 83 N 0.69 3.54 -0.11 1.43 0.01 0.14 -0.75 113.70 118.65 3i17 s SER 83 Ca 0.20 -0.84 -0.05 0.00 1.31 0.00 0.00 55.95 56.57 3i17 s SER 83 Cb -0.14 -0.31 0.05 0.00 0.21 0.00 0.00 66.02 65.83 3i17 s SER 83 CO 0.07 0.12 0.24 -0.22 0.41 0.00 0.00 173.24 173.86 3i17 s LEU 84 N -2.72 0.14 -0.11 2.44 2.96 -0.78 -1.27 118.68 119.35 3i17 s LEU 84 Ca 0.22 0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 54.62 3i17 s LEU 84 Cb -0.08 0.68 -0.03 0.00 0.50 0.00 0.00 46.19 47.26 3i17 s LEU 84 CO 0.11 -0.20 0.01 -0.69 -1.32 0.00 0.00 176.35 174.26 3i17 s VAL 85 N 1.73 4.37 0.13 1.68 1.01 -1.26 -1.98 120.40 126.08 3i17 s VAL 85 Ca -0.05 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.78 3i17 s VAL 85 Cb -0.11 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 3i17 s VAL 85 CO -0.08 0.58 -0.16 -1.59 0.00 0.00 0.00 175.10 173.85 3i17 s LYS 86 N -0.61 1.09 -0.13 2.72 -2.85 -0.17 -0.28 119.74 119.51 3i17 s LYS 86 Ca 0.10 -1.28 -0.29 0.00 -1.00 0.00 0.00 55.97 53.51 3i17 s LYS 86 Cb -0.12 -1.05 -0.01 0.00 -2.06 0.00 0.00 37.83 34.60 3i17 s LYS 86 CO 0.02 0.21 0.97 -1.58 0.10 0.00 0.00 175.35 175.07 3i17 s TRP 87 N -2.05 3.48 0.00 1.78 0.52 -1.26 -0.90 118.94 120.51 3i17 s TRP 87 Ca 0.10 1.51 -0.01 0.00 0.02 0.00 0.00 56.10 57.72 3i17 s TRP 87 Cb -0.05 -3.15 -0.27 0.00 -1.15 0.00 0.00 33.47 28.85 3i17 s TRP 87 CO 0.04 -0.24 0.86 1.49 0.02 0.00 0.00 176.95 179.11 3i17 h GLU 88 N 7.17 0.21 0.00 4.98 4.81 -1.27 -3.48 114.58 127.00 3i17 h GLU 88 Ca -0.30 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 58.58 3i17 h GLU 88 Cb 1.14 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 3i17 h GLU 88 CO 0.86 1.05 0.00 -1.13 -0.73 0.00 0.00 179.01 179.06 3i17 n SER 89 N -3.41 -0.01 0.00 1.04 3.41 -1.10 -5.00 113.62 108.57 3i17 n SER 89 Ca -0.16 -1.01 0.10 0.00 -0.26 0.00 0.00 58.87 57.55 3i17 n SER 89 Cb 1.04 0.01 0.52 0.00 -0.26 0.00 0.00 64.21 65.51 3i17 n SER 89 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3i17 h GLU 90 N 0.00 0.34 -0.08 4.33 4.39 -2.02 -2.99 114.58 118.54 3i17 h GLU 90 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3i17 h GLU 90 Cb 0.00 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3i17 h GLU 90 CO 0.00 0.22 0.00 0.09 -1.16 0.00 0.00 179.01 178.17 3i17 n ASN 91 N -4.47 2.49 -3.69 1.42 3.02 -1.26 -3.34 115.26 109.42 3i17 n ASN 91 Ca 0.06 -2.50 -0.15 0.00 -0.03 0.00 0.00 54.58 51.95 3i17 n ASN 91 Cb 0.26 -0.25 -0.15 0.00 -0.61 0.00 0.00 39.78 39.03 3i17 n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3i17 s LYS 92 N -1.88 0.08 0.09 3.52 2.20 -1.13 -1.33 119.74 121.29 3i17 s LYS 92 Ca 0.20 0.53 0.06 0.00 -0.36 0.00 0.00 55.97 56.39 3i17 s LYS 92 Cb 0.16 -0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.23 3i17 s LYS 92 CO 0.04 -0.25 -0.06 0.00 -0.36 0.00 0.00 175.35 174.72 3i17 s MET 93 N 1.90 2.33 -0.01 4.03 0.23 -0.11 -0.72 119.30 126.95 3i17 s MET 93 Ca -0.02 -0.92 0.05 0.00 -1.03 0.00 0.00 55.69 53.77 3i17 s MET 93 Cb -0.12 -2.41 -0.01 0.00 -1.53 0.00 0.00 34.83 30.76 3i17 s MET 93 CO -0.06 0.53 -0.16 0.08 -2.03 0.00 0.00 175.02 173.38 3i17 s VAL 94 N -1.23 1.26 -0.11 5.16 1.01 -0.08 -1.45 120.40 124.95 3i17 s VAL 94 Ca 0.23 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3i17 s VAL 94 Cb -0.11 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.23 3i17 s VAL 94 CO 0.15 0.33 -0.14 0.00 0.00 0.00 0.00 175.10 175.43 3i17 s GLU 96 N 1.10 3.80 0.05 0.00 2.02 -0.84 -1.84 118.70 123.01 3i17 s GLU 96 Ca -0.04 0.08 0.09 0.00 0.02 0.00 0.00 54.97 55.12 3i17 s GLU 96 Cb -0.14 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 3i17 s GLU 96 CO -0.03 0.61 -0.26 -0.65 0.02 0.00 0.00 175.26 174.95 3i17 s GLN 97 N -0.65 1.76 -0.06 1.61 -0.21 -1.16 -1.86 119.66 119.09 3i17 s GLN 97 Ca 0.18 -1.14 0.01 0.00 0.02 0.00 0.00 55.36 54.43 3i17 s GLN 97 Cb -0.14 -1.97 0.02 0.00 1.00 0.00 0.00 33.01 31.92 3i17 s GLN 97 CO 0.06 0.51 -0.07 0.15 -2.12 0.00 0.00 175.29 173.82 3i17 s LYS 98 N -1.34 1.21 0.37 2.91 1.02 0.07 -4.60 119.74 119.38 3i17 s LYS 98 Ca 0.12 -0.21 -0.28 0.00 0.02 0.00 0.00 55.97 55.62 3i17 s LYS 98 Cb -0.10 -1.15 -0.11 0.00 -0.52 0.00 0.00 37.83 35.95 3i17 s LYS 98 CO 0.03 -0.09 1.45 1.28 -0.92 0.00 0.00 175.35 177.09 3i17 n LEU 99 N 4.18 4.51 0.02 3.17 4.77 -1.26 -0.44 117.00 131.95 3i17 n LEU 99 Ca -0.21 1.22 -0.15 0.00 -0.03 0.00 0.00 56.01 56.85 3i17 n LEU 99 Cb 0.51 -1.59 -0.04 0.00 -2.33 0.00 0.00 43.42 39.97 3i17 n LEU 99 CO 0.22 0.02 0.27 -0.07 -1.33 0.00 0.00 177.39 176.50 3i17 h LEU 100 N 2.87 0.75 -7.88 2.23 3.38 -1.79 -3.45 115.31 111.43 3i17 h LEU 100 Ca -0.50 -0.51 -0.41 0.00 0.09 0.00 0.00 57.88 56.55 3i17 h LEU 100 Cb 1.25 -0.22 -0.32 0.00 0.09 0.00 0.00 40.66 41.46 3i17 h LEU 100 CO 0.64 1.29 -0.78 -0.54 0.09 0.00 0.00 178.44 179.14 3i17 s LYS 101 N -3.63 0.90 1.26 1.13 1.02 -1.26 -5.10 119.74 114.06 3i17 s LYS 101 Ca -0.08 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 55.69 3i17 s LYS 101 Cb 0.09 -0.85 0.00 0.00 -0.52 0.00 0.00 37.83 36.55 3i17 s LYS 101 CO 0.88 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 175.75 3i17 n GLY 102 N 3.58 -1.91 3.42 -3.33 0.00 -1.26 -4.99 105.19 100.70 3i17 n GLY 102 Ca -0.21 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 3i17 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i17 s GLU 103 N 0.00 1.53 0.00 1.61 2.02 -1.26 -4.85 118.70 117.74 3i17 s GLU 103 Ca 0.00 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.28 3i17 s GLU 103 Cb 0.00 -1.41 0.00 0.00 0.10 0.00 0.00 34.13 32.82 3i17 s GLU 103 CO 0.00 0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.90 3i17 n GLY 104 N -0.53 -1.31 3.74 -1.39 0.00 -1.26 -5.12 105.19 99.31 3i17 n GLY 104 Ca -0.06 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 3i17 n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i17 s PRO 105 N -0.81 2.67 -0.23 1.61 0.02 -1.26 -4.93 135.00 132.06 3i17 s PRO 105 Ca 0.00 1.88 -0.29 0.00 0.02 0.00 0.00 61.00 62.61 3i17 s PRO 105 Cb 0.00 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 3i17 s PRO 105 CO 0.00 -1.46 1.29 0.21 -0.33 0.00 0.00 177.00 176.71 3i17 s LYS 106 N -3.48 4.06 0.13 5.54 2.20 -1.26 -4.83 119.74 122.10 3i17 s LYS 106 Ca 0.78 1.46 0.09 0.00 -0.36 0.00 0.00 55.97 57.94 3i17 s LYS 106 Cb -0.32 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 3i17 s LYS 106 CO 0.38 -0.93 -0.16 0.95 -0.36 0.00 0.00 175.35 175.23 3i17 s THR 107 N 3.98 2.94 0.32 3.43 -4.23 -1.26 -0.79 115.64 120.03 3i17 s THR 107 Ca 0.56 -1.51 -0.13 0.00 -1.18 0.00 0.00 61.69 59.43 3i17 s THR 107 Cb -0.19 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.30 3i17 s THR 107 CO 0.19 0.07 0.63 -0.94 -0.54 0.00 0.00 174.62 174.03 3i17 s SER 108 N -2.26 0.14 0.12 3.99 1.04 -0.73 -2.96 113.70 113.04 3i17 s SER 108 Ca 0.19 -1.07 -0.11 0.00 0.48 0.00 0.00 55.95 55.44 3i17 s SER 108 Cb -0.10 0.72 0.01 0.00 0.10 0.00 0.00 66.02 66.75 3i17 s SER 108 CO 0.11 -1.41 0.29 -1.66 0.98 0.00 0.00 173.24 171.55 3i17 s TRP 109 N -3.20 0.09 0.07 5.02 1.48 -0.77 -1.44 118.94 120.20 3i17 s TRP 109 Ca 0.20 -0.47 0.02 0.00 -1.06 0.00 0.00 56.10 54.78 3i17 s TRP 109 Cb -0.03 0.06 -0.03 0.00 -1.16 0.00 0.00 33.47 32.30 3i17 s TRP 109 CO 0.12 -0.65 -0.07 0.95 -4.06 0.00 0.00 176.95 173.25 3i17 s THR 110 N -3.87 0.58 -0.01 0.66 -4.23 -0.37 -0.30 115.64 108.10 3i17 s THR 110 Ca 0.07 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 3i17 s THR 110 Cb 0.03 -1.14 0.01 0.00 1.34 0.00 0.00 72.50 72.74 3i17 s THR 110 CO -0.08 -0.65 0.01 -0.13 -0.54 0.00 0.00 174.62 173.23 3i17 s ARG 111 N -2.74 0.01 0.06 3.99 0.52 -0.53 -1.57 118.95 118.69 3i17 s ARG 111 Ca 0.01 0.05 -0.14 0.00 -0.52 0.00 0.00 55.73 55.13 3i17 s ARG 111 Cb -0.02 -0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.38 3i17 s ARG 111 CO -0.03 -0.05 0.31 -1.83 0.02 0.00 0.00 175.30 173.73 3i17 s GLU 112 N 0.31 0.87 -0.11 3.54 -1.05 -0.11 -0.93 118.70 121.22 3i17 s GLU 112 Ca -0.03 -0.59 -0.01 0.00 -0.15 0.00 0.00 54.97 54.19 3i17 s GLU 112 Cb -0.04 0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 34.00 3i17 s GLU 112 CO -0.01 -0.29 -0.05 -1.17 0.95 0.00 0.00 175.26 174.69 3i17 s LEU 113 N -2.30 3.22 0.58 1.83 2.96 -0.44 -0.55 118.68 123.99 3i17 s LEU 113 Ca -0.02 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3i17 s LEU 113 Cb 0.00 -1.74 0.06 0.00 0.50 0.00 0.00 46.19 45.01 3i17 s LEU 113 CO -0.06 0.27 0.81 0.42 -1.32 0.00 0.00 176.35 176.47 3i17 s THR 114 N -0.27 2.53 0.18 3.68 -4.23 -0.13 -4.93 115.64 112.47 3i17 s THR 114 Ca 0.04 -0.71 -0.19 0.00 -1.18 0.00 0.00 61.69 59.65 3i17 s THR 114 Cb -0.13 -2.82 0.13 0.00 1.34 0.00 0.00 72.50 71.02 3i17 s THR 114 CO 0.02 0.00 1.62 0.78 -0.54 0.00 0.00 174.62 176.50 3i17 h ASN 115 N -0.01 -0.81 0.00 3.99 4.21 -2.00 -0.88 115.58 120.09 3i17 h ASN 115 Ca -0.39 0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.30 3i17 h ASN 115 Cb 1.29 0.43 0.00 0.00 -1.12 0.00 0.00 38.32 38.92 3i17 h ASN 115 CO 0.48 -0.26 0.00 0.47 -1.29 0.00 0.00 177.43 176.83 3i17 n ASP 116 N -5.41 0.00 0.00 5.81 8.00 -1.26 -4.87 116.55 118.82 3i17 n ASP 116 Ca 0.03 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.46 3i17 n ASP 116 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 3i17 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i17 n GLY 117 N 0.84 0.51 3.85 0.44 0.00 -0.33 -5.06 105.19 105.44 3i17 n GLY 117 Ca 0.20 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 3i17 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i17 s GLU 118 N -3.71 3.96 -0.21 1.61 8.01 -1.26 -4.44 118.70 122.65 3i17 s GLU 118 Ca 0.00 0.60 -0.07 0.00 0.01 0.00 0.00 54.97 55.51 3i17 s GLU 118 Cb 0.00 -2.45 -0.03 0.00 -4.31 0.00 0.00 34.13 27.33 3i17 s GLU 118 CO 0.00 0.16 0.06 -1.17 0.01 0.00 0.00 175.26 174.32 3i17 s LEU 119 N -3.04 3.59 -0.16 1.80 2.96 0.09 -0.96 118.68 122.96 3i17 s LEU 119 Ca 0.53 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.33 3i17 s LEU 119 Cb -0.10 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 3i17 s LEU 119 CO 0.19 0.07 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.62 3i17 s ILE 120 N 0.96 3.76 -0.10 6.68 1.01 0.28 -0.34 121.20 133.45 3i17 s ILE 120 Ca 0.04 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.31 3i17 s ILE 120 Cb -0.14 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 3i17 s ILE 120 CO 0.03 0.49 -0.17 -1.61 0.00 0.00 0.00 174.94 173.68 3i17 s GLU 121 N 0.48 3.04 0.13 2.79 2.02 0.47 -0.93 118.70 126.69 3i17 s GLU 121 Ca -0.04 -0.75 0.08 0.00 0.02 0.00 0.00 54.97 54.28 3i17 s GLU 121 Cb -0.14 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 3i17 s GLU 121 CO 0.03 0.31 -0.19 0.95 0.02 0.00 0.00 175.26 176.38 3i17 s THR 122 N 0.06 1.73 -0.01 3.63 -4.23 -0.61 -0.72 115.64 115.50 3i17 s THR 122 Ca -0.07 -1.71 0.02 0.00 -1.18 0.00 0.00 61.69 58.75 3i17 s THR 122 Cb -0.15 -1.67 -0.00 0.00 1.34 0.00 0.00 72.50 72.02 3i17 s THR 122 CO 0.05 -0.19 -0.06 -0.04 -0.54 0.00 0.00 174.62 173.83 3i17 s MET 123 N -2.33 0.54 -0.03 3.99 -1.94 -0.11 -1.23 119.30 118.18 3i17 s MET 123 Ca 0.10 -0.22 0.05 0.00 -1.71 0.00 0.00 55.69 53.91 3i17 s MET 123 Cb -0.08 -0.53 -0.01 0.00 2.01 0.00 0.00 34.83 36.23 3i17 s MET 123 CO 0.05 0.12 -0.17 0.99 -0.01 0.00 0.00 175.02 176.00 3i17 s THR 124 N -0.05 1.43 -0.18 2.05 2.01 -0.52 -0.78 115.64 119.60 3i17 s THR 124 Ca 0.01 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 3i17 s THR 124 Cb -0.04 -1.21 0.05 0.00 0.01 0.00 0.00 72.50 71.31 3i17 s THR 124 CO -0.00 0.41 -0.02 0.00 -0.69 0.00 0.00 174.62 174.31 3i17 s ALA 125 N -0.10 1.37 0.00 7.40 0.00 -0.07 -1.77 121.76 128.59 3i17 s ALA 125 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3i17 s ALA 125 Cb -0.10 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.85 3i17 s ALA 125 CO 0.01 -0.94 0.00 -0.25 0.00 0.00 0.00 175.76 174.58 3i17 n ASP 126 N 4.91 0.00 -1.45 0.00 8.00 0.03 -1.14 116.55 126.90 3i17 n ASP 126 Ca -0.11 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.50 3i17 n ASP 126 Cb 0.47 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.91 3i17 n ASP 126 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3i17 n ASP 127 N 6.82 4.26 -4.31 -2.24 5.75 -1.26 -4.90 116.55 120.66 3i17 n ASP 127 Ca 0.00 -2.22 -0.32 0.00 -0.01 0.00 0.00 54.79 52.24 3i17 n ASP 127 Cb 0.00 -0.53 -0.15 0.00 -1.03 0.00 0.00 41.12 39.41 3i17 n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i17 s VAL 128 N -1.45 2.57 -0.06 2.12 1.01 -0.29 -5.11 120.40 119.19 3i17 s VAL 128 Ca 0.49 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3i17 s VAL 128 Cb 0.29 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 3i17 s VAL 128 CO 0.28 0.55 -0.22 -0.69 0.00 0.00 0.00 175.10 175.02 3i17 s VAL 129 N 0.16 1.83 0.07 2.92 1.01 -1.26 -0.89 120.40 124.24 3i17 s VAL 129 Ca -0.10 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.00 3i17 s VAL 129 Cb -0.16 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3i17 s VAL 129 CO 0.06 0.51 -0.10 0.00 0.00 0.00 0.00 175.10 175.58 3i17 s THR 131 N -1.13 0.85 0.04 0.00 2.01 -0.69 -0.94 115.64 115.79 3i17 s THR 131 Ca 0.20 -0.38 0.07 0.00 0.31 0.00 0.00 61.69 61.89 3i17 s THR 131 Cb -0.11 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 3i17 s THR 131 CO 0.11 0.27 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.58 3i17 s LYS 132 N 0.31 1.30 -0.03 4.92 1.02 0.11 -0.59 119.74 126.78 3i17 s LYS 132 Ca -0.05 -0.91 0.04 0.00 0.02 0.00 0.00 55.97 55.06 3i17 s LYS 132 Cb -0.10 -1.40 -0.00 0.00 -0.52 0.00 0.00 37.83 35.80 3i17 s LYS 132 CO 0.01 0.36 -0.15 0.08 -0.92 0.00 0.00 175.35 174.73 3i17 s VAL 133 N -0.82 1.23 0.18 3.17 1.01 -0.40 -0.40 120.40 124.37 3i17 s VAL 133 Ca 0.06 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3i17 s VAL 133 Cb -0.09 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3i17 s VAL 133 CO 0.02 0.36 -0.13 -0.31 0.00 0.00 0.00 175.10 175.03 3i17 s TYR 134 N -0.04 1.56 0.18 5.22 1.51 0.53 -0.44 117.35 125.87 3i17 s TYR 134 Ca -0.01 -0.61 0.07 0.00 -1.01 0.00 0.00 57.07 55.51 3i17 s TYR 134 Cb -0.09 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 3i17 s TYR 134 CO 0.01 0.26 -0.15 0.14 -1.11 0.00 0.00 175.55 174.70 3i17 s VAL 135 N -2.91 1.65 0.28 0.71 -7.23 -0.45 -0.73 120.40 111.73 3i17 s VAL 135 Ca 0.19 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 57.99 3i17 s VAL 135 Cb -0.01 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 3i17 s VAL 135 CO 0.05 -0.53 1.05 -0.13 -0.31 0.00 0.00 175.10 175.22 3i17 s ARG 136 N -3.37 4.65 0.00 4.82 0.52 -1.26 -0.70 118.95 123.61 3i17 s ARG 136 Ca 0.19 1.68 0.28 0.00 -0.52 0.00 0.00 55.73 57.36 3i17 s ARG 136 Cb -0.02 -3.14 1.66 0.00 0.52 0.00 0.00 34.95 33.97 3i17 s ARG 136 CO 0.06 0.26 2.01 -1.91 0.02 0.00 0.00 175.30 175.73