#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 5.54 0.00 3.54 3.84 -1.26 -4.95 114.94 121.65 3i17 s ASN 2 Ca 0.00 -0.82 0.27 0.00 0.21 0.00 0.00 52.86 52.52 3i17 s ASN 2 Cb 0.00 -1.98 1.31 0.00 -0.55 0.00 0.00 41.25 40.03 3i17 s ASN 2 CO 0.00 -0.29 1.91 0.49 -2.79 0.00 0.00 177.10 176.42 3i17 n PHE 3 N 4.95 0.00 -1.87 0.43 3.01 -1.26 -4.89 117.46 117.83 3i17 n PHE 3 Ca -0.13 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.93 3i17 n PHE 3 Cb 0.47 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 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 -2.69 6.19 0.00 4.37 0.01 -1.26 -4.66 113.70 115.65 3i17 s SER 4 Ca 0.22 2.90 0.00 0.00 1.31 0.00 0.00 55.95 60.38 3i17 s SER 4 Cb 0.18 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.75 3i17 s SER 4 CO 0.43 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.73 3i17 n GLY 5 N 0.57 0.37 3.37 3.44 0.00 -0.68 -4.96 105.19 107.30 3i17 n GLY 5 Ca 0.03 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.82 4.62 -0.15 1.61 0.01 -1.26 -1.00 114.94 117.95 3i17 s ASN 6 Ca 0.00 -0.31 -0.03 0.00 -0.71 0.00 0.00 52.86 51.82 3i17 s ASN 6 Cb 0.00 -1.80 -0.02 0.00 0.41 0.00 0.00 41.25 39.83 3i17 s ASN 6 CO 0.00 -0.01 -0.06 0.26 -1.51 0.00 0.00 177.10 175.78 3i17 s TRP 7 N 1.43 2.97 -0.06 2.20 0.52 0.13 -0.29 118.94 125.83 3i17 s TRP 7 Ca 0.05 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.80 3i17 s TRP 7 Cb -0.15 -1.92 -0.03 0.00 -1.15 0.00 0.00 33.47 30.22 3i17 s TRP 7 CO -0.00 -0.08 -0.10 -1.59 0.02 0.00 0.00 176.95 175.19 3i17 s LYS 8 N 0.34 2.68 0.25 4.98 -2.85 -0.11 -1.95 119.74 123.08 3i17 s LYS 8 Ca -0.06 -0.62 -0.30 0.00 -1.00 0.00 0.00 55.97 54.00 3i17 s LYS 8 Cb -0.15 -2.50 -0.09 0.00 -2.06 0.00 0.00 37.83 33.03 3i17 s LYS 8 CO 0.04 0.62 1.20 -1.50 0.10 0.00 0.00 175.35 175.81 3i17 s ILE 9 N -0.71 3.30 -0.01 3.79 2.07 -1.26 -1.11 121.20 127.28 3i17 s ILE 9 Ca 0.11 1.20 0.02 0.00 -1.41 0.00 0.00 60.65 60.57 3i17 s ILE 9 Cb -0.11 -3.77 -0.03 0.00 0.13 0.00 0.00 42.46 38.68 3i17 s ILE 9 CO 0.01 0.24 0.04 2.30 -1.91 0.00 0.00 174.94 175.62 3i17 n ILE 10 N 1.70 0.03 -3.69 2.00 -5.35 0.98 -4.88 119.36 110.15 3i17 n ILE 10 Ca 0.02 -0.06 -0.09 0.00 -0.27 0.00 0.00 62.75 62.35 3i17 n ILE 10 Cb 0.44 0.09 -0.02 0.00 -1.74 0.00 0.00 39.64 38.40 3i17 n ILE 10 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i17 s ARG 11 N -2.12 1.54 -0.23 6.28 1.70 -1.06 -5.00 118.95 120.06 3i17 s ARG 11 Ca -0.01 -0.79 -0.20 0.00 -0.47 0.00 0.00 55.73 54.25 3i17 s ARG 11 Cb 0.01 0.58 0.06 0.00 -0.57 0.00 0.00 34.95 35.04 3i17 s ARG 11 CO 0.08 -0.69 0.61 0.45 -1.08 0.00 0.00 175.30 174.67 3i17 s SER 12 N -2.86 -0.65 -0.01 -2.89 0.15 -1.26 -1.19 113.70 105.00 3i17 s SER 12 Ca 0.07 1.23 -0.03 0.00 0.70 0.00 0.00 55.95 57.92 3i17 s SER 12 Cb -0.03 1.23 -0.00 0.00 -1.71 0.00 0.00 66.02 65.51 3i17 s SER 12 CO -0.02 -0.21 0.07 -1.83 1.20 0.00 0.00 173.24 172.45 3i17 s GLU 13 N 0.43 0.23 -0.76 5.44 -1.05 0.20 -4.96 118.70 118.23 3i17 s GLU 13 Ca -0.01 -0.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.63 3i17 s GLU 13 Cb -0.04 0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.74 3i17 s GLU 13 CO -0.01 -0.04 0.00 0.09 0.95 0.00 0.00 175.26 176.25 3i17 n ASN 14 N 2.33 -3.98 0.35 0.83 3.02 -1.26 -1.50 115.26 115.05 3i17 n ASN 14 Ca -0.17 0.18 -0.17 0.00 -0.03 0.00 0.00 54.58 54.38 3i17 n ASN 14 Cb 0.57 -2.11 -0.09 0.00 -0.61 0.00 0.00 39.78 37.55 3i17 n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3i17 h PHE 15 N 0.00 -0.82 -0.41 3.10 3.57 -1.92 -0.90 116.94 119.56 3i17 h PHE 15 Ca -0.15 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 3i17 h PHE 15 Cb 0.51 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3i17 h PHE 15 CO 0.23 -0.48 0.11 1.49 -2.23 0.00 0.00 178.31 177.42 3i17 h GLU 16 N -0.99 0.60 -0.59 1.11 4.81 -1.96 -2.23 114.58 115.32 3i17 h GLU 16 Ca -0.09 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 58.99 3i17 h GLU 16 Cb 0.71 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 3i17 h GLU 16 CO 0.15 0.54 0.17 1.49 -0.73 0.00 0.00 179.01 180.63 3i17 h GLU 17 N 0.59 0.91 -0.22 1.92 4.81 -1.91 -0.38 114.58 120.28 3i17 h GLU 17 Ca 0.14 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3i17 h GLU 17 Cb 0.21 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3i17 h GLU 17 CO -0.00 0.79 0.13 1.25 -0.73 0.00 0.00 179.01 180.45 3i17 h LEU 18 N 0.88 0.28 -1.23 1.64 5.85 -0.58 -1.60 115.31 120.55 3i17 h LEU 18 Ca 0.19 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3i17 h LEU 18 Cb 0.28 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3i17 h LEU 18 CO -0.01 0.26 0.27 -0.07 -0.34 0.00 0.00 178.44 178.56 3i17 h LEU 19 N 0.26 0.73 -0.49 2.25 3.38 -1.03 -2.59 115.31 117.82 3i17 h LEU 19 Ca 0.08 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3i17 h LEU 19 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3i17 h LEU 19 CO -0.01 0.62 0.01 0.50 0.09 0.00 0.00 178.44 179.64 3i17 h LYS 20 N 0.81 0.87 0.00 1.13 3.64 -0.72 -1.37 116.57 120.92 3i17 h LYS 20 Ca 0.20 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3i17 h LYS 20 Cb 0.09 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3i17 h LYS 20 CO -0.03 0.90 0.00 -0.39 -2.27 0.00 0.00 179.45 177.66 3i17 h VAL 21 N 0.73 0.00 -0.00 2.00 -1.51 -1.01 -1.37 116.25 115.08 3i17 h VAL 21 Ca 0.14 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3i17 h VAL 21 Cb 0.51 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 3i17 h VAL 21 CO 0.02 0.00 -0.06 0.18 -1.23 0.00 0.00 177.57 176.48 3i17 n LEU 22 N -2.50 0.41 0.00 4.19 4.77 -0.99 -4.92 117.00 117.95 3i17 n LEU 22 Ca 0.04 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3i17 n LEU 22 Cb 0.36 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3i17 n LEU 22 CO 0.27 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3i17 n GLY 23 N 1.21 0.64 3.71 -0.72 0.00 -0.52 -5.04 105.19 104.48 3i17 n GLY 23 Ca 0.17 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 3.68 0.83 1.61 1.01 -0.55 -5.00 120.40 119.98 3i17 s VAL 24 Ca 0.00 1.19 -0.11 0.00 0.00 0.00 0.00 61.98 63.06 3i17 s VAL 24 Cb 0.00 -3.77 0.09 0.00 0.00 0.00 0.00 36.38 32.70 3i17 s VAL 24 CO 0.00 0.09 1.09 0.54 0.00 0.00 0.00 175.10 176.82 3i17 s ASN 25 N 1.14 4.08 0.30 3.32 6.03 -1.26 -4.56 114.94 123.99 3i17 s ASN 25 Ca 0.62 1.54 0.04 0.00 -1.03 0.00 0.00 52.86 54.03 3i17 s ASN 25 Cb -0.33 -2.25 0.49 0.00 -3.03 0.00 0.00 41.25 36.13 3i17 s ASN 25 CO 0.29 -2.26 1.76 1.62 -2.03 0.00 0.00 177.10 176.48 3i17 h VAL 26 N -1.29 1.26 0.26 3.54 3.04 -1.99 -0.54 116.25 120.53 3i17 h VAL 26 Ca -0.47 -1.20 0.00 0.00 -1.01 0.00 0.00 66.70 64.02 3i17 h VAL 26 Cb 1.26 1.36 -0.02 0.00 -2.01 0.00 0.00 31.29 31.88 3i17 h VAL 26 CO 0.55 0.38 -0.24 -0.03 -1.01 0.00 0.00 177.57 177.21 3i17 h MET 27 N 0.36 -0.51 -0.26 4.17 -1.53 -2.00 -0.75 114.93 114.40 3i17 h MET 27 Ca 0.06 0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 56.33 3i17 h MET 27 Cb 0.62 0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.78 3i17 h MET 27 CO 0.04 -0.34 0.06 -0.07 0.14 0.00 0.00 176.91 176.75 3i17 h LEU 28 N -0.53 0.34 -0.42 3.39 3.38 -1.80 -1.51 115.31 118.16 3i17 h LEU 28 Ca -0.01 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3i17 h LEU 28 Cb 0.49 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3i17 h LEU 28 CO -0.04 0.35 0.02 0.03 0.09 0.00 0.00 178.44 178.89 3i17 h ARG 29 N 0.37 0.73 -0.15 1.13 3.08 -0.64 -0.89 114.38 118.01 3i17 h ARG 29 Ca 0.09 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 3i17 h ARG 29 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3i17 h ARG 29 CO -0.00 0.79 -0.31 0.87 -1.07 0.00 0.00 179.97 180.24 3i17 h LYS 30 N 0.57 0.28 -0.64 0.04 1.79 -0.75 0.99 116.57 118.86 3i17 h LYS 30 Ca 0.12 -0.11 -0.07 0.00 -2.18 0.00 0.00 60.65 58.42 3i17 h LYS 30 Cb 0.45 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 3i17 h LYS 30 CO 0.02 0.57 0.14 0.82 -1.08 0.00 0.00 179.45 179.92 3i17 h ILE 31 N 0.25 1.26 -0.48 1.86 2.04 -1.22 -2.38 117.51 118.85 3i17 h ILE 31 Ca 0.03 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 64.85 3i17 h ILE 31 Cb 0.68 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3i17 h ILE 31 CO 0.05 0.36 -0.03 0.00 0.00 0.00 0.00 178.15 178.53 3i17 h ALA 32 N 1.05 1.05 -0.40 1.87 0.00 -0.38 -0.67 119.26 121.77 3i17 h ALA 32 Ca 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3i17 h ALA 32 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i17 h ALA 32 CO 0.01 0.59 0.16 0.28 0.00 0.00 0.00 179.25 180.29 3i17 h VAL 33 N 0.75 1.19 -0.68 0.00 2.07 -0.73 -0.41 116.25 118.45 3i17 h VAL 33 Ca 0.14 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3i17 h VAL 33 Cb 0.50 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3i17 h VAL 33 CO 0.03 0.22 0.33 0.00 0.02 0.00 0.00 177.57 178.16 3i17 h ALA 34 N 1.01 0.87 0.00 1.67 0.00 -1.03 -2.27 119.26 119.50 3i17 h ALA 34 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i17 h ALA 34 Cb 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i17 h ALA 34 CO -0.01 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3i17 n ALA 35 N -2.36 2.05 -0.39 0.00 0.00 -0.29 -2.82 120.51 116.69 3i17 n ALA 35 Ca 0.05 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.52 3i17 n ALA 35 Cb 0.12 -1.35 0.33 0.00 0.00 0.00 0.00 19.45 18.55 3i17 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i17 n ALA 36 N -1.41 2.50 -1.85 0.00 0.00 -0.20 -4.49 120.51 115.07 3i17 n ALA 36 Ca 0.07 -1.34 -0.41 0.00 0.00 0.00 0.00 53.44 51.76 3i17 n ALA 36 Cb 0.22 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 3i17 n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i17 s SER 37 N -0.98 6.60 -1.15 0.00 0.01 -1.13 -3.75 113.70 113.30 3i17 s SER 37 Ca 0.50 2.73 -0.13 0.00 1.31 0.00 0.00 55.95 60.35 3i17 s SER 37 Cb 0.27 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 3i17 s SER 37 CO 0.32 -0.74 0.80 0.29 0.41 0.00 0.00 173.24 174.32 3i17 n LYS 38 N 2.21 -2.12 -2.26 12.44 5.02 -1.26 -1.79 118.16 130.40 3i17 n LYS 38 Ca 0.07 0.58 -0.40 0.00 -2.02 0.00 0.00 58.31 56.53 3i17 n LYS 38 Cb 0.40 -4.73 -0.03 0.00 -0.02 0.00 0.00 35.03 30.65 3i17 n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3i17 s PRO 39 N -5.60 4.46 0.02 1.97 0.04 -1.25 -4.40 135.00 130.25 3i17 s PRO 39 Ca 0.38 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.51 3i17 s PRO 39 Cb -0.11 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 3i17 s PRO 39 CO 0.82 -0.04 -0.11 0.00 0.04 0.00 0.00 177.00 177.72 3i17 s ALA 40 N -1.16 0.90 -0.10 8.56 0.00 0.67 -4.02 121.76 126.61 3i17 s ALA 40 Ca 0.47 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.81 3i17 s ALA 40 Cb -0.37 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.62 3i17 s ALA 40 CO 0.48 0.17 -0.13 0.08 0.00 0.00 0.00 175.76 176.36 3i17 s VAL 41 N -0.68 1.32 -0.19 0.00 1.01 -0.82 -0.81 120.40 120.23 3i17 s VAL 41 Ca 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 3i17 s VAL 41 Cb -0.06 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3i17 s VAL 41 CO 0.00 0.41 -0.01 -0.70 0.00 0.00 0.00 175.10 174.80 3i17 s GLU 42 N 1.13 3.62 -0.06 2.72 2.12 0.87 0.22 118.70 129.33 3i17 s GLU 42 Ca -0.04 -0.53 0.06 0.00 0.36 0.00 0.00 54.97 54.82 3i17 s GLU 42 Cb -0.14 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 31.21 3i17 s GLU 42 CO -0.03 0.07 -0.25 0.42 -0.54 0.00 0.00 175.26 174.94 3i17 s ILE 43 N 0.82 2.08 -0.26 -3.70 1.01 -0.17 -0.27 121.20 120.70 3i17 s ILE 43 Ca -0.00 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.61 3i17 s ILE 43 Cb -0.14 -1.75 0.06 0.00 0.01 0.00 0.00 42.46 40.64 3i17 s ILE 43 CO 0.02 0.57 -0.10 -0.54 0.00 0.00 0.00 174.94 174.89 3i17 s LYS 44 N -0.18 2.27 -0.17 2.79 -0.14 0.62 -1.69 119.74 123.23 3i17 s LYS 44 Ca -0.03 -1.34 -0.04 0.00 -1.36 0.00 0.00 55.97 53.20 3i17 s LYS 44 Cb -0.14 -2.93 -0.03 0.00 -1.68 0.00 0.00 37.83 33.06 3i17 s LYS 44 CO 0.04 -0.58 -0.02 -1.14 -0.76 0.00 0.00 175.35 172.89 3i17 s GLN 45 N 1.12 3.64 -0.44 1.68 0.74 -1.26 -0.60 119.66 124.54 3i17 s GLN 45 Ca -0.08 -0.52 0.02 0.00 0.05 0.00 0.00 55.36 54.82 3i17 s GLN 45 Cb -0.20 -2.98 0.13 0.00 1.10 0.00 0.00 33.01 31.06 3i17 s GLN 45 CO -0.05 0.14 0.23 -1.21 -0.55 0.00 0.00 175.29 173.85 3i17 s GLU 46 N 0.63 1.37 7.13 1.67 2.02 -0.14 -4.83 118.70 126.55 3i17 s GLU 46 Ca -0.02 -2.04 0.00 0.00 0.02 0.00 0.00 54.97 52.93 3i17 s GLU 46 Cb -0.14 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.58 3i17 s GLU 46 CO 0.02 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 174.58 3i17 n GLY 47 N 3.58 2.67 0.81 -1.39 0.00 -1.26 -1.88 105.19 107.72 3i17 n GLY 47 Ca 0.07 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 9.98 2.55 -4.74 1.61 8.00 -1.26 -4.90 116.55 127.79 3i17 n ASP 48 Ca 0.00 -1.84 -0.36 0.00 0.71 0.00 0.00 54.79 53.31 3i17 n ASP 48 Cb 0.00 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.05 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 -2.03 5.37 -0.00 -3.53 2.01 -0.79 -0.75 115.64 115.92 3i17 s THR 49 Ca 0.30 0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.70 3i17 s THR 49 Cb 0.20 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 3i17 s THR 49 CO 0.33 0.44 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.18 3i17 s PHE 50 N 0.24 1.40 -0.12 4.92 0.40 0.50 -0.96 117.98 124.37 3i17 s PHE 50 Ca 0.12 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.20 3i17 s PHE 50 Cb -0.12 -0.89 -0.00 0.00 0.51 0.00 0.00 43.02 42.52 3i17 s PHE 50 CO 0.01 -0.01 -0.20 -0.47 0.70 0.00 0.00 175.22 175.25 3i17 s TYR 51 N -0.45 2.65 -0.11 0.36 5.04 0.23 -1.43 117.35 123.64 3i17 s TYR 51 Ca 0.06 -0.99 -0.01 0.00 -2.44 0.00 0.00 57.07 53.68 3i17 s TYR 51 Cb -0.06 -1.77 0.03 0.00 0.35 0.00 0.00 41.96 40.51 3i17 s TYR 51 CO -0.00 -0.40 -0.02 0.42 -1.34 0.00 0.00 175.55 174.21 3i17 s ILE 52 N 0.44 0.63 -0.17 3.14 1.01 -0.62 -0.28 121.20 125.35 3i17 s ILE 52 Ca -0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 3i17 s ILE 52 Cb -0.17 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 3i17 s ILE 52 CO 0.06 0.20 -0.08 -0.75 0.00 0.00 0.00 174.94 174.37 3i17 s LYS 53 N 1.86 3.46 -0.19 2.79 2.20 0.63 -1.49 119.74 128.98 3i17 s LYS 53 Ca 0.04 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 3i17 s LYS 53 Cb -0.13 -2.83 -0.01 0.00 -1.51 0.00 0.00 37.83 33.34 3i17 s LYS 53 CO -0.07 0.08 -0.06 0.99 -0.36 0.00 0.00 175.35 175.93 3i17 s THR 54 N 0.74 3.35 -0.06 3.43 2.01 0.05 -0.09 115.64 125.07 3i17 s THR 54 Ca -0.03 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.50 3i17 s THR 54 Cb -0.15 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.86 3i17 s THR 54 CO 0.02 0.45 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.73 3i17 s SER 55 N 1.13 2.89 0.23 3.53 0.01 0.01 -1.24 113.70 120.25 3i17 s SER 55 Ca 0.01 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.79 3i17 s SER 55 Cb -0.15 -0.90 -0.00 0.00 0.21 0.00 0.00 66.02 65.19 3i17 s SER 55 CO -0.01 0.21 0.00 0.35 0.41 0.00 0.00 173.24 174.20 3i17 n THR 56 N 3.10 0.00 0.30 1.44 -2.24 0.52 -0.24 114.28 117.17 3i17 n THR 56 Ca -0.18 -1.10 0.19 0.00 -2.27 0.00 0.00 64.05 60.69 3i17 n THR 56 Cb 0.52 0.23 0.89 0.00 -2.10 0.00 0.00 70.33 69.88 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 1.13 0.00 0.00 4.28 1.35 -1.56 -3.27 112.91 114.84 3i17 h THR 57 Ca -0.19 -0.27 -0.18 0.00 -0.55 0.00 0.00 66.41 65.23 3i17 h THR 57 Cb 0.59 1.23 -0.03 0.00 -1.73 0.00 0.00 68.15 68.20 3i17 h THR 57 CO 0.32 0.00 -1.66 1.33 -0.25 0.00 0.00 175.52 175.26 3i17 n VAL 58 N -3.00 0.66 -3.99 6.82 0.24 -1.26 -5.08 118.33 112.71 3i17 n VAL 58 Ca -0.01 -0.37 -0.08 0.00 -2.04 0.00 0.00 64.34 61.84 3i17 n VAL 58 Cb 0.19 -0.79 -0.09 0.00 -1.47 0.00 0.00 33.84 31.69 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 -2.23 0.73 -0.03 7.34 3.52 -1.24 -5.15 118.95 121.89 3i17 s ARG 59 Ca -0.07 -1.12 0.02 0.00 -0.13 0.00 0.00 55.73 54.43 3i17 s ARG 59 Cb 0.03 0.27 0.01 0.00 -1.56 0.00 0.00 34.95 33.70 3i17 s ARG 59 CO 0.36 -0.19 -0.07 0.99 -0.81 0.00 0.00 175.30 175.59 3i17 s THR 60 N -3.90 0.64 0.11 4.11 2.01 -1.26 -0.35 115.64 116.99 3i17 s THR 60 Ca 0.07 -0.25 0.06 0.00 0.31 0.00 0.00 61.69 61.88 3i17 s THR 60 Cb 0.07 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 3i17 s THR 60 CO -0.10 0.22 -0.16 0.42 -0.69 0.00 0.00 174.62 174.32 3i17 s THR 61 N 0.45 1.37 -0.02 -0.82 -4.23 -0.37 -4.99 115.64 107.03 3i17 s THR 61 Ca -0.07 -1.58 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 3i17 s THR 61 Cb -0.10 -1.42 0.01 0.00 1.34 0.00 0.00 72.50 72.33 3i17 s THR 61 CO 0.00 -0.29 -0.01 -1.61 -0.54 0.00 0.00 174.62 172.18 3i17 s GLU 62 N -2.27 0.21 0.11 3.99 2.02 -1.26 -0.77 118.70 120.72 3i17 s GLU 62 Ca 0.06 0.02 0.10 0.00 0.02 0.00 0.00 54.97 55.16 3i17 s GLU 62 Cb -0.07 -0.31 -0.04 0.00 0.10 0.00 0.00 34.13 33.81 3i17 s GLU 62 CO 0.03 -0.05 -0.25 0.96 0.02 0.00 0.00 175.26 175.97 3i17 s ILE 63 N 0.53 2.07 -0.07 -1.63 -4.36 -0.56 -5.00 121.20 112.17 3i17 s ILE 63 Ca -0.05 -1.65 0.03 0.00 -0.26 0.00 0.00 60.65 58.72 3i17 s ILE 63 Cb -0.08 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.81 3i17 s ILE 63 CO -0.01 0.07 -0.15 0.20 0.24 0.00 0.00 174.94 175.29 3i17 s ASN 64 N -1.93 2.08 0.15 4.36 0.01 -1.26 -1.59 114.94 116.76 3i17 s ASN 64 Ca 0.11 -0.36 -0.15 0.00 -0.71 0.00 0.00 52.86 51.75 3i17 s ASN 64 Cb -0.10 -0.96 0.03 0.00 0.41 0.00 0.00 41.25 40.62 3i17 s ASN 64 CO 0.05 0.06 0.41 0.72 -1.51 0.00 0.00 177.10 176.83 3i17 s PHE 65 N 0.59 -0.09 -0.06 2.20 -0.12 -0.52 -4.95 117.98 115.04 3i17 s PHE 65 Ca -0.16 -0.25 0.04 0.00 -0.05 0.00 0.00 56.93 56.52 3i17 s PHE 65 Cb -0.16 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.45 3i17 s PHE 65 CO 0.05 -0.76 -0.19 0.21 -0.05 0.00 0.00 175.22 174.49 3i17 s LYS 66 N -3.85 2.57 0.23 1.99 2.20 -1.26 -0.37 119.74 121.25 3i17 s LYS 66 Ca 0.07 -0.78 -0.32 0.00 -0.36 0.00 0.00 55.97 54.58 3i17 s LYS 66 Cb 0.01 -2.31 -0.13 0.00 -1.51 0.00 0.00 37.83 33.90 3i17 s LYS 66 CO -0.08 0.50 1.59 0.28 -0.36 0.00 0.00 175.35 177.28 3i17 n VAL 67 N 2.64 0.47 -0.69 4.02 0.31 0.07 -1.45 118.33 123.70 3i17 n VAL 67 Ca -0.17 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3i17 n VAL 67 Cb 0.52 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 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 2.98 0.81 3.13 2.92 0.00 0.10 -5.01 105.19 110.12 3i17 n GLY 68 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.31 2.62 0.40 1.61 2.02 -0.53 -4.99 118.70 119.52 3i17 s GLU 69 Ca 0.00 -0.72 -0.27 0.00 0.02 0.00 0.00 54.97 54.00 3i17 s GLU 69 Cb 0.00 -2.13 -0.10 0.00 0.10 0.00 0.00 34.13 32.00 3i17 s GLU 69 CO 0.00 0.01 1.48 -1.91 0.02 0.00 0.00 175.26 174.86 3i17 n GLU 70 N 4.00 2.58 -4.16 1.61 2.13 -1.26 -4.50 120.64 121.05 3i17 n GLU 70 Ca -0.20 0.91 -0.11 0.00 0.66 0.00 0.00 57.16 58.42 3i17 n GLU 70 Cb 0.52 -2.67 -0.09 0.00 0.27 0.00 0.00 31.44 29.46 3i17 n GLU 70 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 3i17 s PHE 71 N -1.14 0.97 -0.13 4.31 -0.71 -0.16 -4.96 117.98 116.16 3i17 s PHE 71 Ca 0.55 -1.25 -0.04 0.00 -1.04 0.00 0.00 56.93 55.15 3i17 s PHE 71 Cb -0.47 -0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 40.86 3i17 s PHE 71 CO 0.62 -0.64 0.03 -2.00 -1.34 0.00 0.00 175.22 171.89 3i17 s GLU 72 N -4.11 3.44 0.00 1.99 2.12 -1.26 -0.09 118.70 120.79 3i17 s GLU 72 Ca 0.32 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.28 3i17 s GLU 72 Cb 0.06 -2.98 0.00 0.00 0.26 0.00 0.00 34.13 31.47 3i17 s GLU 72 CO 0.08 0.51 0.00 -0.85 -0.54 0.00 0.00 175.26 174.46 3i17 n GLU 73 N 2.76 0.00 -4.36 4.30 0.28 -0.55 -4.96 120.64 118.11 3i17 n GLU 73 Ca -0.18 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.57 3i17 n GLU 73 Cb 0.53 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.27 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 1.29 1.24 1.07 3.44 -0.21 -1.26 -1.26 119.66 123.96 3i17 s GLN 74 Ca 0.00 -1.19 -0.13 0.00 0.02 0.00 0.00 55.36 54.07 3i17 s GLN 74 Cb 0.00 -1.54 0.23 0.00 1.00 0.00 0.00 33.01 32.69 3i17 s GLN 74 CO 0.00 0.37 1.07 0.95 -2.12 0.00 0.00 175.29 175.55 3i17 s THR 75 N -1.09 2.06 0.50 -0.19 -4.23 0.12 -4.86 115.64 107.95 3i17 s THR 75 Ca 0.09 0.02 0.17 0.00 -1.18 0.00 0.00 61.69 60.79 3i17 s THR 75 Cb -0.10 -2.33 0.25 0.00 1.34 0.00 0.00 72.50 71.66 3i17 s THR 75 CO 0.04 -0.03 2.10 1.62 -0.54 0.00 0.00 174.62 177.82 3i17 h VAL 76 N -2.19 0.97 -0.52 2.29 3.04 -1.99 0.63 116.25 118.48 3i17 h VAL 76 Ca -0.57 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 3i17 h VAL 76 Cb 1.33 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 3i17 h VAL 76 CO 0.55 0.07 0.00 -0.90 -1.01 0.00 0.00 177.57 176.27 3i17 n ASP 77 N -4.34 2.80 0.00 3.17 5.75 -1.26 -4.94 116.55 117.73 3i17 n ASP 77 Ca -0.03 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 3i17 n ASP 77 Cb 0.15 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 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 1.32 0.85 3.79 6.12 0.00 0.21 -5.07 105.19 112.40 3i17 n GLY 78 Ca 0.17 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.66 4.07 0.24 1.61 0.52 -1.26 -4.77 118.95 118.70 3i17 s ARG 79 Ca 0.00 0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 55.24 3i17 s ARG 79 Cb 0.00 -3.31 -0.10 0.00 0.52 0.00 0.00 34.95 32.05 3i17 s ARG 79 CO 0.00 0.47 1.50 -2.14 0.02 0.00 0.00 175.30 175.15 3i17 s PRO 80 N -0.35 4.23 0.06 3.54 0.02 -1.26 0.14 135.00 141.38 3i17 s PRO 80 Ca 0.22 2.37 -0.03 0.00 0.02 0.00 0.00 61.00 63.58 3i17 s PRO 80 Cb -0.15 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 3i17 s PRO 80 CO 0.10 -0.50 0.02 0.00 -0.33 0.00 0.00 177.00 176.29 3i17 s LYS 82 N -3.69 4.15 0.14 0.00 -0.14 0.59 -1.48 119.74 119.30 3i17 s LYS 82 Ca 0.05 0.40 0.10 0.00 -1.36 0.00 0.00 55.97 55.15 3i17 s LYS 82 Cb 0.06 -3.34 -0.04 0.00 -1.68 0.00 0.00 37.83 32.83 3i17 s LYS 82 CO -0.09 0.41 -0.22 -1.12 -0.76 0.00 0.00 175.35 173.56 3i17 s SER 83 N -0.18 2.92 -0.08 2.83 0.01 0.87 -0.58 113.70 119.49 3i17 s SER 83 Ca 0.24 -0.77 -0.03 0.00 1.31 0.00 0.00 55.95 56.70 3i17 s SER 83 Cb -0.16 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 65.93 3i17 s SER 83 CO 0.11 0.08 0.14 -0.22 0.41 0.00 0.00 173.24 173.77 3i17 s LEU 84 N -2.24 0.01 -0.13 2.44 2.96 -0.87 -0.99 118.68 119.86 3i17 s LEU 84 Ca 0.13 0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 54.26 3i17 s LEU 84 Cb -0.09 0.22 -0.04 0.00 0.50 0.00 0.00 46.19 46.78 3i17 s LEU 84 CO 0.06 -0.24 0.15 -0.69 -1.32 0.00 0.00 176.35 174.31 3i17 s VAL 85 N 2.19 5.48 0.06 1.68 1.01 -1.26 -2.07 120.40 127.49 3i17 s VAL 85 Ca 0.02 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.26 3i17 s VAL 85 Cb -0.12 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3i17 s VAL 85 CO -0.05 0.59 -0.10 -0.54 0.00 0.00 0.00 175.10 175.00 3i17 s LYS 86 N -0.82 0.68 0.02 2.72 1.02 -0.25 -0.72 119.74 122.38 3i17 s LYS 86 Ca 0.14 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 54.91 3i17 s LYS 86 Cb -0.12 -0.47 -0.04 0.00 -0.52 0.00 0.00 37.83 36.68 3i17 s LYS 86 CO 0.03 0.09 1.12 -1.58 -0.92 0.00 0.00 175.35 174.09 3i17 s TRP 87 N -1.71 3.48 -0.12 3.18 0.52 -1.26 -0.68 118.94 122.36 3i17 s TRP 87 Ca -0.04 1.44 0.22 0.00 0.02 0.00 0.00 56.10 57.74 3i17 s TRP 87 Cb -0.08 -3.31 -0.27 0.00 -1.15 0.00 0.00 33.47 28.67 3i17 s TRP 87 CO 0.00 -0.81 0.60 -1.91 0.02 0.00 0.00 176.95 174.86 3i17 n GLU 88 N 4.13 0.62 -2.75 4.98 2.13 0.73 -4.92 120.64 125.56 3i17 n GLU 88 Ca 0.08 -0.13 -0.03 0.00 0.66 0.00 0.00 57.16 57.73 3i17 n GLU 88 Cb 0.48 -1.57 0.01 0.00 0.27 0.00 0.00 31.44 30.63 3i17 n GLU 88 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3i17 n SER 89 N -2.29 -1.19 -0.23 4.31 3.41 -1.10 -4.97 113.62 111.55 3i17 n SER 89 Ca -0.03 -1.73 0.06 0.00 -0.26 0.00 0.00 58.87 56.90 3i17 n SER 89 Cb 0.55 1.96 0.31 0.00 -0.26 0.00 0.00 64.21 66.77 3i17 n SER 89 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3i17 h GLU 90 N 0.00 0.84 -0.12 4.33 4.81 -2.01 -3.07 114.58 119.36 3i17 h GLU 90 Ca -0.18 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3i17 h GLU 90 Cb 0.72 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3i17 h GLU 90 CO 0.23 0.56 0.00 0.09 -0.73 0.00 0.00 179.01 179.16 3i17 n ASN 91 N -4.49 2.76 -3.73 1.04 3.02 -1.26 -4.36 115.26 108.25 3i17 n ASN 91 Ca 0.12 -2.69 -0.15 0.00 -0.03 0.00 0.00 54.58 51.83 3i17 n ASN 91 Cb 0.22 -0.34 -0.15 0.00 -0.61 0.00 0.00 39.78 38.90 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 -2.22 0.06 0.15 3.52 2.20 -1.16 -0.84 119.74 121.45 3i17 s LYS 92 Ca 0.27 0.40 0.07 0.00 -0.36 0.00 0.00 55.97 56.35 3i17 s LYS 92 Cb 0.22 -0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.28 3i17 s LYS 92 CO 0.06 -0.21 -0.03 0.00 -0.36 0.00 0.00 175.35 174.81 3i17 s MET 93 N 1.47 2.34 -0.01 4.03 0.23 -0.13 -0.20 119.30 127.03 3i17 s MET 93 Ca -0.06 -1.07 0.02 0.00 -1.03 0.00 0.00 55.69 53.55 3i17 s MET 93 Cb -0.12 -2.36 0.00 0.00 -1.53 0.00 0.00 34.83 30.83 3i17 s MET 93 CO -0.06 0.47 -0.06 0.14 -2.03 0.00 0.00 175.02 173.48 3i17 s VAL 94 N -1.58 0.54 -0.14 5.16 -7.23 0.14 -1.70 120.40 115.59 3i17 s VAL 94 Ca 0.26 -0.25 0.02 0.00 -1.81 0.00 0.00 61.98 60.20 3i17 s VAL 94 Cb -0.10 -0.48 0.01 0.00 0.56 0.00 0.00 36.38 36.38 3i17 s VAL 94 CO 0.17 0.17 -0.20 0.00 -0.31 0.00 0.00 175.10 174.93 3i17 s GLU 96 N 0.92 3.38 -0.01 0.00 0.41 -0.88 -1.88 118.70 120.64 3i17 s GLU 96 Ca -0.05 -0.19 0.06 0.00 -0.41 0.00 0.00 54.97 54.37 3i17 s GLU 96 Cb -0.15 -3.12 -0.03 0.00 -1.78 0.00 0.00 34.13 29.05 3i17 s GLU 96 CO -0.03 0.74 -0.18 -0.65 -0.49 0.00 0.00 175.26 174.65 3i17 s GLN 97 N -0.93 2.25 -0.04 1.61 -0.21 -1.11 -2.06 119.66 119.17 3i17 s GLN 97 Ca 0.14 -0.86 0.02 0.00 0.02 0.00 0.00 55.36 54.68 3i17 s GLN 97 Cb -0.12 -2.24 0.01 0.00 1.00 0.00 0.00 33.01 31.67 3i17 s GLN 97 CO 0.03 0.58 -0.07 0.21 -2.12 0.00 0.00 175.29 173.92 3i17 s LYS 98 N -1.01 1.03 0.47 2.91 2.20 0.25 -4.53 119.74 121.06 3i17 s LYS 98 Ca 0.13 -0.22 -0.24 0.00 -0.36 0.00 0.00 55.97 55.27 3i17 s LYS 98 Cb -0.10 -0.95 -0.07 0.00 -1.51 0.00 0.00 37.83 35.19 3i17 s LYS 98 CO 0.02 -0.00 1.34 -0.51 -0.36 0.00 0.00 175.35 175.84 3i17 s LEU 99 N 0.65 4.05 0.10 5.43 1.43 -1.26 -0.30 118.68 128.77 3i17 s LEU 99 Ca -0.10 2.73 -0.19 0.00 -1.03 0.00 0.00 54.13 55.54 3i17 s LEU 99 Cb -0.13 -4.06 -0.07 0.00 0.03 0.00 0.00 46.19 41.96 3i17 s LEU 99 CO 0.01 -1.18 1.62 -0.07 0.23 0.00 0.00 176.35 176.96 3i17 h LEU 100 N 2.13 0.36 -7.74 1.79 3.38 -1.79 -3.44 115.31 110.00 3i17 h LEU 100 Ca -0.50 -0.19 -0.35 0.00 0.09 0.00 0.00 57.88 56.93 3i17 h LEU 100 Cb 1.27 -0.09 -0.32 0.00 0.09 0.00 0.00 40.66 41.61 3i17 h LEU 100 CO 0.60 0.46 -0.75 -0.75 0.09 0.00 0.00 178.44 178.09 3i17 s LYS 101 N -5.44 0.44 0.11 1.13 2.20 -1.26 -5.07 119.74 111.85 3i17 s LYS 101 Ca -0.14 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 3i17 s LYS 101 Cb 0.08 -0.51 0.00 0.00 -1.51 0.00 0.00 37.83 35.89 3i17 s LYS 101 CO 0.72 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 176.09 3i17 n GLY 102 N 3.68 -3.11 3.51 5.54 0.00 -1.26 -5.02 105.19 108.53 3i17 n GLY 102 Ca -0.22 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.71 1.75 -0.06 1.61 2.02 -1.26 -4.73 118.70 117.32 3i17 s GLU 103 Ca 0.00 -1.92 -0.30 0.00 0.02 0.00 0.00 54.97 52.78 3i17 s GLU 103 Cb 0.00 -1.47 0.10 0.00 0.10 0.00 0.00 34.13 32.86 3i17 s GLU 103 CO 0.00 0.06 1.33 0.20 0.02 0.00 0.00 175.26 176.87 3i17 s GLY 104 N -3.57 -0.19 0.74 -1.39 0.00 -1.26 -5.08 107.32 96.57 3i17 s GLY 104 Ca 0.32 0.14 -0.15 0.00 0.00 0.00 0.00 44.72 45.03 3i17 s GLY 104 CO 0.15 5.97 1.21 -4.14 0.00 0.00 0.00 173.10 176.29 3i17 s PRO 105 N -2.02 2.09 0.01 2.90 0.02 -1.26 -4.93 135.00 131.80 3i17 s PRO 105 Ca 0.30 1.77 -0.30 0.00 0.02 0.00 0.00 61.00 62.78 3i17 s PRO 105 Cb 0.00 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.65 3i17 s PRO 105 CO -0.02 -1.88 1.21 0.15 -0.33 0.00 0.00 177.00 176.13 3i17 s LYS 106 N -3.93 4.39 0.07 5.54 1.02 -1.26 -4.94 119.74 120.63 3i17 s LYS 106 Ca 0.74 1.74 0.08 0.00 0.02 0.00 0.00 55.97 58.56 3i17 s LYS 106 Cb -0.29 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 3i17 s LYS 106 CO 0.46 -0.35 -0.23 0.95 -0.92 0.00 0.00 175.35 175.26 3i17 s THR 107 N 1.61 1.87 0.30 2.17 -4.23 -1.26 -3.03 115.64 113.07 3i17 s THR 107 Ca 0.58 -1.39 -0.11 0.00 -1.18 0.00 0.00 61.69 59.58 3i17 s THR 107 Cb -0.28 -1.64 0.01 0.00 1.34 0.00 0.00 72.50 71.94 3i17 s THR 107 CO 0.26 0.17 0.56 -0.94 -0.54 0.00 0.00 174.62 174.14 3i17 s SER 108 N -1.47 0.18 0.11 3.99 1.04 -0.87 -2.73 113.70 113.96 3i17 s SER 108 Ca 0.09 -1.09 -0.11 0.00 0.48 0.00 0.00 55.95 55.32 3i17 s SER 108 Cb -0.09 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.71 3i17 s SER 108 CO 0.03 -1.31 0.28 -1.66 0.98 0.00 0.00 173.24 171.55 3i17 s TRP 109 N -3.41 0.07 0.05 5.02 1.48 -0.79 -1.30 118.94 120.06 3i17 s TRP 109 Ca 0.22 -0.46 0.00 0.00 -1.06 0.00 0.00 56.10 54.80 3i17 s TRP 109 Cb -0.02 0.05 -0.03 0.00 -1.16 0.00 0.00 33.47 32.31 3i17 s TRP 109 CO 0.12 -0.63 -0.04 0.95 -4.06 0.00 0.00 176.95 173.29 3i17 s THR 110 N -3.86 0.32 -0.03 0.66 -4.23 -0.25 -0.08 115.64 108.17 3i17 s THR 110 Ca 0.06 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 3i17 s THR 110 Cb 0.04 -1.02 0.03 0.00 1.34 0.00 0.00 72.50 72.88 3i17 s THR 110 CO -0.09 -0.73 -0.00 -0.13 -0.54 0.00 0.00 174.62 173.13 3i17 s ARG 111 N -2.78 0.36 0.03 3.99 0.52 -0.69 -1.28 118.95 119.09 3i17 s ARG 111 Ca -0.02 0.06 0.04 0.00 -0.52 0.00 0.00 55.73 55.28 3i17 s ARG 111 Cb -0.01 -0.52 -0.02 0.00 0.52 0.00 0.00 34.95 34.92 3i17 s ARG 111 CO -0.05 -0.13 -0.11 -2.00 0.02 0.00 0.00 175.30 173.03 3i17 s GLU 112 N 1.01 0.77 -0.27 3.54 2.12 -0.03 -0.96 118.70 124.88 3i17 s GLU 112 Ca -0.10 -0.64 -0.08 0.00 0.36 0.00 0.00 54.97 54.51 3i17 s GLU 112 Cb -0.14 -0.73 -0.02 0.00 0.26 0.00 0.00 34.13 33.51 3i17 s GLU 112 CO -0.02 0.18 0.10 -1.17 -0.54 0.00 0.00 175.26 173.81 3i17 s LEU 113 N -0.98 3.70 0.88 2.70 2.96 -0.02 -0.68 118.68 127.23 3i17 s LEU 113 Ca -0.00 -0.35 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 3i17 s LEU 113 Cb -0.07 -1.95 0.15 0.00 0.50 0.00 0.00 46.19 44.83 3i17 s LEU 113 CO 0.01 -0.10 1.22 0.42 -1.32 0.00 0.00 176.35 176.58 3i17 s THR 114 N 1.61 2.05 0.11 3.68 -4.23 0.90 -4.84 115.64 114.90 3i17 s THR 114 Ca 0.05 -0.10 0.23 0.00 -1.18 0.00 0.00 61.69 60.69 3i17 s THR 114 Cb -0.16 -2.94 0.22 0.00 1.34 0.00 0.00 72.50 70.96 3i17 s THR 114 CO 0.05 0.00 1.80 0.78 -0.54 0.00 0.00 174.62 176.70 3i17 h ASN 115 N -1.29 0.00 -0.05 3.99 2.35 -1.99 -2.49 115.58 116.10 3i17 h ASN 115 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3i17 h ASN 115 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 3i17 h ASN 115 CO 0.46 0.24 0.00 0.47 -1.65 0.00 0.00 177.43 176.95 3i17 n ASP 116 N -3.38 0.48 -0.26 5.81 8.00 -1.26 -4.90 116.55 121.04 3i17 n ASP 116 Ca 0.00 -1.54 -0.03 0.00 0.71 0.00 0.00 54.79 53.94 3i17 n ASP 116 Cb 0.45 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.87 0.53 3.92 0.44 0.00 -0.94 -5.05 105.19 104.96 3i17 n GLY 117 Ca 0.14 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.70 3.56 -0.21 1.61 2.02 -1.26 -4.37 118.70 117.34 3i17 s GLU 118 Ca 0.00 -0.22 -0.06 0.00 0.02 0.00 0.00 54.97 54.72 3i17 s GLU 118 Cb 0.00 -2.78 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 3i17 s GLU 118 CO 0.00 0.34 0.02 -1.17 0.02 0.00 0.00 175.26 174.47 3i17 s LEU 119 N -3.36 3.31 -0.18 1.80 2.96 -0.31 -0.07 118.68 122.83 3i17 s LEU 119 Ca 0.40 -0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 3i17 s LEU 119 Cb -0.11 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 3i17 s LEU 119 CO 0.29 0.04 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.67 3i17 s ILE 120 N 1.15 3.49 -0.12 6.68 1.01 0.14 -0.75 121.20 132.80 3i17 s ILE 120 Ca 0.03 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 3i17 s ILE 120 Cb -0.14 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 3i17 s ILE 120 CO 0.02 0.46 -0.11 -0.70 0.00 0.00 0.00 174.94 174.61 3i17 s GLU 121 N 0.90 3.28 0.11 2.79 2.12 0.44 -0.85 118.70 127.49 3i17 s GLU 121 Ca -0.01 -0.65 0.06 0.00 0.36 0.00 0.00 54.97 54.73 3i17 s GLU 121 Cb -0.15 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 3i17 s GLU 121 CO 0.01 0.30 -0.15 0.95 -0.54 0.00 0.00 175.26 175.83 3i17 s THR 122 N 0.13 1.33 -0.01 -1.70 -4.23 -0.41 -0.63 115.64 110.12 3i17 s THR 122 Ca -0.05 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3i17 s THR 122 Cb -0.15 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.29 3i17 s THR 122 CO 0.04 -0.32 0.01 -0.04 -0.54 0.00 0.00 174.62 173.77 3i17 s MET 123 N -2.33 0.09 0.01 3.99 -1.94 -0.33 -1.09 119.30 117.70 3i17 s MET 123 Ca 0.06 0.07 0.06 0.00 -1.71 0.00 0.00 55.69 54.17 3i17 s MET 123 Cb -0.07 -0.23 -0.02 0.00 2.01 0.00 0.00 34.83 36.52 3i17 s MET 123 CO 0.03 -0.08 -0.19 0.99 -0.01 0.00 0.00 175.02 175.75 3i17 s THR 124 N 0.61 1.55 -0.09 2.05 2.01 -0.42 -0.64 115.64 120.69 3i17 s THR 124 Ca -0.05 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 60.91 3i17 s THR 124 Cb -0.08 -1.32 0.05 0.00 0.01 0.00 0.00 72.50 71.16 3i17 s THR 124 CO -0.01 0.30 0.20 0.00 -0.69 0.00 0.00 174.62 174.42 3i17 s ALA 125 N -0.63 -0.39 0.00 7.40 0.00 -0.53 -2.04 121.76 125.58 3i17 s ALA 125 Ca 0.07 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3i17 s ALA 125 Cb -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.36 3i17 s ALA 125 CO 0.00 -0.33 0.00 -0.25 0.00 0.00 0.00 175.76 175.19 3i17 n ASP 126 N 4.62 0.00 -0.68 0.00 8.00 -1.17 -0.92 116.55 126.41 3i17 n ASP 126 Ca -0.19 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.36 3i17 n ASP 126 Cb 0.51 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.82 3i17 n ASP 126 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3i17 n ASP 127 N 6.82 1.97 -4.64 -2.24 8.00 -1.26 -4.96 116.55 120.24 3i17 n ASP 127 Ca 0.00 -3.79 -0.35 0.00 0.71 0.00 0.00 54.79 51.36 3i17 n ASP 127 Cb 0.00 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.46 3i17 n ASP 127 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i17 s VAL 128 N -3.20 4.50 -0.16 2.53 1.01 -0.09 -5.10 120.40 119.89 3i17 s VAL 128 Ca 0.39 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3i17 s VAL 128 Cb 0.37 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.80 3i17 s VAL 128 CO -0.04 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.69 3i17 s VAL 129 N -0.16 2.02 -0.13 2.92 1.01 -1.26 -1.45 120.40 123.36 3i17 s VAL 129 Ca 0.06 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 3i17 s VAL 129 Cb -0.12 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3i17 s VAL 129 CO 0.02 0.54 0.10 0.00 0.00 0.00 0.00 175.10 175.76 3i17 s THR 131 N -0.73 1.36 -0.01 0.00 2.01 -0.56 -1.19 115.64 116.52 3i17 s THR 131 Ca 0.13 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.56 3i17 s THR 131 Cb -0.12 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 3i17 s THR 131 CO 0.03 0.40 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.60 3i17 s LYS 132 N 0.35 1.77 -0.07 4.92 1.02 0.19 -0.63 119.74 127.30 3i17 s LYS 132 Ca -0.10 -0.79 0.05 0.00 0.02 0.00 0.00 55.97 55.14 3i17 s LYS 132 Cb -0.14 -1.72 -0.00 0.00 -0.52 0.00 0.00 37.83 35.45 3i17 s LYS 132 CO 0.04 0.47 -0.22 0.08 -0.92 0.00 0.00 175.35 174.80 3i17 s VAL 133 N -0.53 1.85 0.18 3.17 1.01 -0.33 -0.42 120.40 125.33 3i17 s VAL 133 Ca 0.08 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.22 3i17 s VAL 133 Cb -0.08 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3i17 s VAL 133 CO -0.01 0.52 -0.18 -0.31 0.00 0.00 0.00 175.10 175.12 3i17 s TYR 134 N 0.10 1.83 0.23 5.22 1.51 0.07 -0.02 117.35 126.30 3i17 s TYR 134 Ca -0.09 -0.48 0.11 0.00 -1.01 0.00 0.00 57.07 55.60 3i17 s TYR 134 Cb -0.15 -0.89 -0.05 0.00 -0.11 0.00 0.00 41.96 40.76 3i17 s TYR 134 CO 0.05 0.36 -0.20 0.14 -1.11 0.00 0.00 175.55 174.78 3i17 s VAL 135 N -2.25 2.51 0.13 0.71 -7.23 -0.27 -1.16 120.40 112.83 3i17 s VAL 135 Ca 0.18 -2.16 -0.31 0.00 -1.81 0.00 0.00 61.98 57.87 3i17 s VAL 135 Cb -0.05 -2.26 -0.09 0.00 0.56 0.00 0.00 36.38 34.55 3i17 s VAL 135 CO 0.07 -0.25 1.49 -0.13 -0.31 0.00 0.00 175.10 175.98 3i17 s ARG 136 N -3.07 4.26 0.00 4.82 0.52 -1.26 -0.93 118.95 123.29 3i17 s ARG 136 Ca 0.25 2.22 0.24 0.00 -0.52 0.00 0.00 55.73 57.92 3i17 s ARG 136 Cb -0.07 -3.24 1.44 0.00 0.52 0.00 0.00 34.95 33.60 3i17 s ARG 136 CO 0.13 -0.54 1.80 -1.91 0.02 0.00 0.00 175.30 174.80