#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tow n ASP 2 N 0.00 0.00 0.00 0.00 5.75 -1.26 -4.79 116.55 116.25 1tow n ASP 2 Ca 0.00 -0.72 0.07 0.00 -0.01 0.00 0.00 54.79 54.13 1tow n ASP 2 Cb 0.00 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 40.47 1tow n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1tow n ALA 3 N 0.00 1.90 0.55 2.12 0.00 -1.26 -2.13 120.51 121.69 1tow n ALA 3 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1tow n ALA 3 Cb 0.18 -1.22 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 1tow n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1tow n PHE 4 N -1.14 0.24 -1.72 0.00 3.72 -1.26 -4.97 117.46 112.33 1tow n PHE 4 Ca 0.09 0.07 -0.42 0.00 -0.05 0.00 0.00 57.45 57.13 1tow n PHE 4 Cb 0.08 -0.42 -0.03 0.00 -0.94 0.00 0.00 39.48 38.17 1tow n PHE 4 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1tow n VAL 5 N -1.96 0.21 -1.23 -4.37 0.31 -0.91 -4.64 118.33 105.75 1tow n VAL 5 Ca 0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1tow n VAL 5 Cb 0.44 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 1tow n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1tow n GLY 6 N 3.54 -0.39 3.37 2.92 0.00 -0.56 -4.97 105.19 109.11 1tow n GLY 6 Ca 0.15 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1tow n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tow s THR 7 N -2.12 3.14 -0.05 2.61 2.01 -1.26 -0.90 115.64 119.07 1tow s THR 7 Ca 0.00 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1tow s THR 7 Cb 0.00 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1tow s THR 7 CO 0.00 0.51 -0.14 0.26 -0.69 0.00 0.00 174.62 174.57 1tow s TRP 8 N 0.45 1.47 -0.09 4.92 0.52 0.86 -1.23 118.94 125.84 1tow s TRP 8 Ca -0.09 -0.47 -0.01 0.00 0.02 0.00 0.00 56.10 55.56 1tow s TRP 8 Cb -0.16 -1.03 -0.03 0.00 -1.15 0.00 0.00 33.47 31.10 1tow s TRP 8 CO 0.04 -0.20 -0.06 0.21 0.02 0.00 0.00 176.95 176.97 1tow s LYS 9 N 0.33 3.03 0.03 4.98 2.20 0.15 0.66 119.74 131.13 1tow s LYS 9 Ca -0.08 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 1tow s LYS 9 Cb -0.13 -2.69 -0.06 0.00 -1.51 0.00 0.00 37.83 33.44 1tow s LYS 9 CO 0.03 0.54 1.46 -1.17 -0.36 0.00 0.00 175.35 175.84 1tow s LEU 10 N -0.47 4.33 -0.01 5.43 2.96 -0.91 -1.33 118.68 128.69 1tow s LEU 10 Ca 0.07 2.23 0.04 0.00 -0.22 0.00 0.00 54.13 56.25 1tow s LEU 10 Cb -0.12 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 1tow s LEU 10 CO 0.02 -0.75 0.07 1.33 -1.32 0.00 0.00 176.35 175.70 1tow n VAL 11 N 4.57 0.08 -3.74 1.68 0.24 0.41 -4.85 118.33 116.72 1tow n VAL 11 Ca 0.13 -0.11 -0.12 0.00 -2.04 0.00 0.00 64.34 62.20 1tow n VAL 11 Cb 0.43 0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 32.75 1tow n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1tow s SER 12 N -2.76 -0.18 -0.15 -1.34 1.04 -1.11 -5.00 113.70 104.20 1tow s SER 12 Ca -0.02 -0.06 -0.10 0.00 0.48 0.00 0.00 55.95 56.26 1tow s SER 12 Cb 0.02 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.55 1tow s SER 12 CO 0.17 -0.57 0.38 -0.55 0.98 0.00 0.00 173.24 173.64 1tow s SER 13 N -1.81 -0.44 -0.07 7.02 0.15 -1.26 -0.70 113.70 116.58 1tow s SER 13 Ca -0.08 0.80 0.03 0.00 0.70 0.00 0.00 55.95 57.40 1tow s SER 13 Cb -0.02 0.72 0.01 0.00 -1.71 0.00 0.00 66.02 65.01 1tow s SER 13 CO -0.01 -0.17 -0.16 -1.61 1.20 0.00 0.00 173.24 172.49 1tow s GLU 14 N 1.02 2.12 -0.59 5.44 2.02 0.18 -4.82 118.70 124.07 1tow s GLU 14 Ca -0.07 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.35 1tow s GLU 14 Cb -0.07 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.47 1tow s GLU 14 CO -0.08 0.10 0.00 0.09 0.02 0.00 0.00 175.26 175.39 1tow n ASN 15 N 3.65 -4.37 -0.04 -0.19 3.02 -1.26 -2.02 115.26 114.05 1tow n ASN 15 Ca -0.21 0.14 -0.03 0.00 -0.03 0.00 0.00 54.58 54.45 1tow n ASN 15 Cb 0.52 -2.36 0.22 0.00 -0.61 0.00 0.00 39.78 37.55 1tow n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1tow h PHE 16 N 0.00 0.65 0.05 3.10 3.57 -1.91 -0.76 116.94 121.64 1tow h PHE 16 Ca -0.11 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.29 1tow h PHE 16 Cb 0.60 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1tow h PHE 16 CO 0.30 0.67 -0.02 0.22 -2.23 0.00 0.00 178.31 177.25 1tow h ASP 17 N 0.57 -0.06 -0.69 0.41 3.58 -1.95 -0.64 116.42 117.65 1tow h ASP 17 Ca 0.11 -0.17 0.14 0.00 0.42 0.00 0.00 57.03 57.54 1tow h ASP 17 Cb 0.46 0.01 -0.10 0.00 1.72 0.00 0.00 39.33 41.43 1tow h ASP 17 CO 0.02 0.13 0.15 0.44 -2.88 0.00 0.00 179.24 177.11 1tow h ASP 18 N -0.25 -0.01 0.31 2.28 3.32 -1.93 0.25 116.42 120.39 1tow h ASP 18 Ca -0.01 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1tow h ASP 18 Cb 0.22 0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1tow h ASP 18 CO 0.01 -0.03 -0.15 0.22 -1.72 0.00 0.00 179.24 177.58 1tow h TYR 19 N 0.26 -0.38 -0.76 4.55 3.20 -0.89 -0.52 116.97 122.43 1tow h TYR 19 Ca 0.38 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.30 1tow h TYR 19 Cb 0.62 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.96 1tow h TYR 19 CO -0.27 -0.22 0.45 0.52 -1.64 0.00 0.00 178.16 177.00 1tow h MET 20 N -0.44 0.80 -0.26 1.82 2.86 -0.81 -0.56 114.93 118.35 1tow h MET 20 Ca -0.04 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1tow h MET 20 Cb 0.33 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1tow h MET 20 CO 0.07 0.53 0.13 -0.22 1.06 0.00 0.00 176.91 178.48 1tow h LYS 21 N 0.83 0.26 -0.34 1.72 3.64 -0.70 0.33 116.57 122.31 1tow h LYS 21 Ca 0.33 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1tow h LYS 21 Cb 0.17 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1tow h LYS 21 CO -0.17 0.17 0.11 1.49 -2.27 0.00 0.00 179.45 178.78 1tow h GLU 22 N 0.27 0.48 0.00 1.90 4.57 -0.51 -1.19 114.58 120.10 1tow h GLU 22 Ca 0.11 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 1tow h GLU 22 Cb 0.04 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1tow h GLU 22 CO -0.08 0.42 -0.27 0.28 -1.18 0.00 0.00 179.01 178.18 1tow h VAL 23 N 0.48 0.62 0.00 0.32 2.07 -0.53 -3.47 116.25 115.74 1tow h VAL 23 Ca 0.12 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1tow h VAL 23 Cb 0.14 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1tow h VAL 23 CO -0.01 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.46 1tow n GLY 24 N 0.33 1.38 3.70 2.17 0.00 -0.43 -5.08 105.19 107.26 1tow n GLY 24 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1tow n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tow s VAL 25 N -2.00 3.17 0.86 1.61 1.01 -0.03 -4.98 120.40 120.04 1tow s VAL 25 Ca 0.00 0.67 -0.10 0.00 0.00 0.00 0.00 61.98 62.55 1tow s VAL 25 Cb 0.00 -3.43 0.11 0.00 0.00 0.00 0.00 36.38 33.06 1tow s VAL 25 CO 0.00 0.01 1.12 -0.83 0.00 0.00 0.00 175.10 175.40 1tow s GLY 26 N 1.97 1.68 0.30 4.51 0.00 -1.26 -4.49 107.32 110.03 1tow s GLY 26 Ca 0.70 0.43 -0.00 0.00 0.00 0.00 0.00 44.72 45.85 1tow s GLY 26 CO 0.30 0.83 1.86 -2.75 0.00 0.00 0.00 173.10 173.34 1tow h PHE 27 N -1.56 0.81 -0.66 1.90 3.57 -1.99 -1.93 116.94 117.08 1tow h PHE 27 Ca -0.44 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 60.94 1tow h PHE 27 Cb 1.25 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1tow h PHE 27 CO 0.53 0.66 0.15 0.00 -2.23 0.00 0.00 178.31 177.42 1tow h ALA 28 N 1.40 0.88 -0.14 2.41 0.00 -2.01 -2.10 119.26 119.70 1tow h ALA 28 Ca 0.18 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1tow h ALA 28 Cb 0.24 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1tow h ALA 28 CO -0.01 0.61 -0.21 1.15 0.00 0.00 0.00 179.25 180.79 1tow h THR 29 N 1.00 1.36 -0.91 0.00 2.02 -1.87 -3.25 112.91 111.25 1tow h THR 29 Ca 0.21 -1.43 0.10 0.00 0.77 0.00 0.00 66.41 66.06 1tow h THR 29 Cb 0.38 1.95 -0.08 0.00 -1.74 0.00 0.00 68.15 68.66 1tow h THR 29 CO 0.00 0.42 0.55 0.03 0.37 0.00 0.00 175.52 176.90 1tow h ARG 30 N 0.01 0.88 -0.13 6.66 3.08 -1.23 -0.21 114.38 123.43 1tow h ARG 30 Ca 0.01 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.06 1tow h ARG 30 Cb 0.77 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 1tow h ARG 30 CO 0.05 0.58 -0.20 -0.22 -1.07 0.00 0.00 179.97 179.11 1tow h LYS 31 N 0.90 -0.25 0.08 0.04 1.63 -1.42 0.17 116.57 117.73 1tow h LYS 31 Ca 0.44 0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 60.09 1tow h LYS 31 Cb 0.41 0.06 0.02 0.00 -0.60 0.00 0.00 32.23 32.11 1tow h LYS 31 CO -0.25 -0.16 -0.71 0.28 -3.45 0.00 0.00 179.45 175.16 1tow h VAL 32 N -0.26 1.49 -0.73 2.00 2.07 -1.49 -3.17 116.25 116.16 1tow h VAL 32 Ca 0.10 -2.35 0.07 0.00 0.82 0.00 0.00 66.70 65.34 1tow h VAL 32 Cb 0.40 2.97 -0.05 0.00 -1.52 0.00 0.00 31.29 33.10 1tow h VAL 32 CO -0.28 0.67 0.48 0.00 0.02 0.00 0.00 177.57 178.46 1tow h ALA 33 N 0.17 1.72 -0.04 1.67 0.00 -1.04 -2.65 119.26 119.09 1tow h ALA 33 Ca -0.11 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1tow h ALA 33 Cb 1.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1tow h ALA 33 CO 0.13 0.15 -0.56 0.78 0.00 0.00 0.00 179.25 179.76 1tow h GLY 34 N 0.74 0.14 1.89 0.00 0.00 -0.69 -2.66 103.07 102.49 1tow h GLY 34 Ca 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1tow h GLY 34 CO -0.11 0.15 -0.06 1.03 0.00 0.00 0.00 176.54 177.54 1tow n MET 35 N -3.89 0.10 -2.11 4.80 2.81 -1.02 -4.91 117.12 112.91 1tow n MET 35 Ca -0.02 0.08 -0.41 0.00 -1.81 0.00 0.00 57.70 55.54 1tow n MET 35 Cb 0.58 -1.61 -0.03 0.00 -0.71 0.00 0.00 33.22 31.45 1tow n MET 35 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tow s ALA 36 N -3.04 3.57 -0.74 3.04 0.00 -1.01 -4.99 121.76 118.59 1tow s ALA 36 Ca 0.12 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1tow s ALA 36 Cb 0.16 -3.52 0.18 0.00 0.00 0.00 0.00 23.12 19.95 1tow s ALA 36 CO 0.57 -0.64 0.55 1.63 0.00 0.00 0.00 175.76 177.88 1tow n LYS 37 N 2.32 2.00 -1.62 0.00 5.02 -1.26 -5.06 118.16 119.56 1tow n LYS 37 Ca 0.06 -4.50 -0.33 0.00 -2.02 0.00 0.00 58.31 51.52 1tow n LYS 37 Cb 0.41 -2.31 0.06 0.00 -0.02 0.00 0.00 35.03 33.17 1tow n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1tow s PRO 38 N -1.49 2.62 -0.22 1.97 0.04 -1.26 -4.67 135.00 131.99 1tow s PRO 38 Ca 0.26 1.37 -0.09 0.00 0.04 0.00 0.00 61.00 62.57 1tow s PRO 38 Cb -0.04 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1tow s PRO 38 CO -0.16 -1.39 0.12 -0.80 0.04 0.00 0.00 177.00 174.81 1tow s ASN 39 N -2.72 5.92 -0.23 6.66 0.01 0.79 -2.14 114.94 123.22 1tow s ASN 39 Ca 0.66 0.10 -0.07 0.00 -0.71 0.00 0.00 52.86 52.84 1tow s ASN 39 Cb -0.20 -2.05 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 1tow s ASN 39 CO 0.45 0.11 0.05 -0.32 -1.51 0.00 0.00 177.10 175.88 1tow s MET 40 N 0.80 3.67 -0.26 -0.60 -2.45 0.21 -0.67 119.30 119.99 1tow s MET 40 Ca 0.06 -0.48 -0.03 0.00 -1.25 0.00 0.00 55.69 54.00 1tow s MET 40 Cb -0.13 -3.26 0.03 0.00 1.25 0.00 0.00 34.83 32.72 1tow s MET 40 CO 0.02 -0.11 -0.03 0.42 1.05 0.00 0.00 175.02 176.37 1tow s ILE 41 N 1.39 3.08 -0.14 10.11 1.01 -0.39 -0.10 121.20 136.15 1tow s ILE 41 Ca 0.05 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 1tow s ILE 41 Cb -0.15 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1tow s ILE 41 CO 0.03 0.14 -0.04 -0.63 0.00 0.00 0.00 174.94 174.44 1tow s ILE 42 N 1.35 3.87 0.10 2.92 1.01 -0.08 -1.08 121.20 129.29 1tow s ILE 42 Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 1tow s ILE 42 Cb -0.17 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 1tow s ILE 42 CO -0.03 0.51 0.04 -0.94 0.00 0.00 0.00 174.94 174.53 1tow s SER 43 N 0.19 0.35 -0.03 3.58 1.04 -0.49 -1.50 113.70 116.84 1tow s SER 43 Ca -0.02 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 55.36 1tow s SER 43 Cb -0.14 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.27 1tow s SER 43 CO 0.03 -0.69 -0.02 -0.69 0.98 0.00 0.00 173.24 172.85 1tow s VAL 44 N -3.97 0.35 -0.42 5.02 1.01 -1.26 -1.02 120.40 120.10 1tow s VAL 44 Ca 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1tow s VAL 44 Cb 0.07 -0.40 0.12 0.00 0.00 0.00 0.00 36.38 36.17 1tow s VAL 44 CO -0.04 0.18 0.19 0.20 0.00 0.00 0.00 175.10 175.63 1tow s ASN 45 N 0.87 4.06 1.65 3.32 0.01 0.04 -5.02 114.94 119.86 1tow s ASN 45 Ca -0.10 -2.50 0.00 0.00 -0.71 0.00 0.00 52.86 49.55 1tow s ASN 45 Cb -0.13 -1.26 0.00 0.00 0.41 0.00 0.00 41.25 40.27 1tow s ASN 45 CO -0.01 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 175.90 1tow n GLY 46 N 3.74 3.62 0.76 0.66 0.00 -1.26 -2.20 105.19 110.51 1tow n GLY 46 Ca 0.05 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1tow n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tow n ASP 47 N 8.90 2.29 -4.58 1.61 5.68 -1.26 -4.83 116.55 124.36 1tow n ASP 47 Ca 0.00 -1.79 -0.38 0.00 -0.50 0.00 0.00 54.79 52.11 1tow n ASP 47 Cb 0.00 -0.12 -0.11 0.00 -1.14 0.00 0.00 41.12 39.75 1tow n ASP 47 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1tow s VAL 48 N -1.76 5.28 -0.15 2.12 1.01 -0.93 -4.28 120.40 121.67 1tow s VAL 48 Ca 0.34 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 1tow s VAL 48 Cb 0.20 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1tow s VAL 48 CO 0.29 0.23 0.07 -0.63 0.00 0.00 0.00 175.10 175.06 1tow s ILE 49 N 1.75 4.91 -0.17 2.22 1.01 -0.07 -0.78 121.20 130.07 1tow s ILE 49 Ca 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 1tow s ILE 49 Cb -0.16 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.13 1tow s ILE 49 CO 0.11 0.52 -0.13 -0.89 0.00 0.00 0.00 174.94 174.55 1tow s THR 50 N -0.13 2.88 -0.22 2.92 2.01 -0.18 -1.40 115.64 121.52 1tow s THR 50 Ca 0.08 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1tow s THR 50 Cb -0.12 -2.24 0.04 0.00 0.01 0.00 0.00 72.50 70.19 1tow s THR 50 CO 0.01 0.50 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.66 1tow s ILE 51 N 0.88 2.18 0.02 1.82 1.01 -0.11 -1.40 121.20 125.59 1tow s ILE 51 Ca -0.03 -1.21 -0.01 0.00 0.00 0.00 0.00 60.65 59.40 1tow s ILE 51 Cb -0.15 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1tow s ILE 51 CO -0.00 0.29 0.14 -0.54 0.00 0.00 0.00 174.94 174.83 1tow s LYS 52 N 1.22 3.23 -0.09 2.79 1.02 -0.24 -1.18 119.74 126.49 1tow s LYS 52 Ca -0.01 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1tow s LYS 52 Cb -0.16 -2.95 0.02 0.00 -0.52 0.00 0.00 37.83 34.22 1tow s LYS 52 CO -0.09 0.64 -0.07 0.45 -0.92 0.00 0.00 175.35 175.36 1tow s SER 53 N -2.03 1.88 -0.13 2.83 0.15 0.42 -1.26 113.70 115.57 1tow s SER 53 Ca 0.27 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.69 1tow s SER 53 Cb -0.12 -0.74 -0.00 0.00 -1.71 0.00 0.00 66.02 63.45 1tow s SER 53 CO 0.19 -0.09 -0.19 -1.61 1.20 0.00 0.00 173.24 172.74 1tow s GLU 54 N 1.47 3.17 0.21 5.44 2.02 0.15 -0.55 118.70 130.61 1tow s GLU 54 Ca -0.00 -0.80 -0.22 0.00 0.02 0.00 0.00 54.97 53.97 1tow s GLU 54 Cb -0.13 -2.49 0.05 0.00 0.10 0.00 0.00 34.13 31.66 1tow s GLU 54 CO -0.05 0.11 0.70 -1.54 0.02 0.00 0.00 175.26 174.50 1tow s SER 55 N 0.55 -0.38 0.59 -0.19 1.04 -1.11 -0.15 113.70 114.06 1tow s SER 55 Ca -0.11 -0.33 0.34 0.00 0.48 0.00 0.00 55.95 56.33 1tow s SER 55 Cb -0.16 0.65 1.86 0.00 0.10 0.00 0.00 66.02 68.46 1tow s SER 55 CO 0.04 -1.14 2.21 0.71 0.98 0.00 0.00 173.24 176.04 1tow h THR 56 N 2.00 0.31 0.57 2.02 1.35 -1.99 -2.86 112.91 114.31 1tow h THR 56 Ca -0.25 -0.22 -0.03 0.00 -0.55 0.00 0.00 66.41 65.36 1tow h THR 56 Cb 1.27 1.17 0.01 0.00 -1.73 0.00 0.00 68.15 68.86 1tow h THR 56 CO 0.29 0.04 -0.27 0.15 -0.25 0.00 0.00 175.52 175.48 1tow h PHE 57 N 0.00 -0.71 -1.88 4.73 3.57 -1.95 -3.48 116.94 117.21 1tow h PHE 57 Ca -0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1tow h PHE 57 Cb 0.16 0.24 -0.21 0.00 2.79 0.00 0.00 35.95 38.93 1tow h PHE 57 CO 0.00 -0.39 0.26 0.21 -2.23 0.00 0.00 178.31 176.16 1tow s LYS 58 N -4.63 0.84 -0.18 1.11 2.20 -1.08 -5.03 119.74 112.98 1tow s LYS 58 Ca -0.14 0.55 -0.15 0.00 -0.36 0.00 0.00 55.97 55.87 1tow s LYS 58 Cb 0.02 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.70 1tow s LYS 58 CO 0.45 -0.19 0.33 -0.80 -0.36 0.00 0.00 175.35 174.78 1tow s ASN 59 N -0.44 6.43 0.19 1.43 -0.87 -1.26 -2.74 114.94 117.69 1tow s ASN 59 Ca -0.04 0.50 0.07 0.00 -1.57 0.00 0.00 52.86 51.82 1tow s ASN 59 Cb -0.02 -2.20 -0.05 0.00 -0.02 0.00 0.00 41.25 38.96 1tow s ASN 59 CO 0.03 0.03 -0.13 0.42 -2.57 0.00 0.00 177.10 174.89 1tow s THR 60 N 0.79 1.55 -0.19 1.60 -4.23 0.29 -4.99 115.64 110.47 1tow s THR 60 Ca 0.17 -2.16 -0.12 0.00 -1.18 0.00 0.00 61.69 58.40 1tow s THR 60 Cb -0.14 -2.00 0.06 0.00 1.34 0.00 0.00 72.50 71.76 1tow s THR 60 CO 0.06 -0.63 0.46 -0.70 -0.54 0.00 0.00 174.62 173.27 1tow s GLU 61 N -3.68 0.47 -0.01 3.99 2.12 -1.26 -0.43 118.70 119.89 1tow s GLU 61 Ca 0.21 0.81 0.07 0.00 0.36 0.00 0.00 54.97 56.42 1tow s GLU 61 Cb 0.01 0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.45 1tow s GLU 61 CO 0.05 -0.13 -0.22 0.96 -0.54 0.00 0.00 175.26 175.38 1tow s ILE 62 N 1.13 1.72 -0.06 -3.70 -4.36 -0.33 -5.00 121.20 110.60 1tow s ILE 62 Ca -0.07 -0.94 0.04 0.00 -0.26 0.00 0.00 60.65 59.42 1tow s ILE 62 Cb -0.07 -1.43 -0.00 0.00 1.25 0.00 0.00 42.46 42.22 1tow s ILE 62 CO -0.10 0.48 -0.19 -0.44 0.24 0.00 0.00 174.94 174.92 1tow s SER 63 N -0.53 2.43 0.15 4.36 0.01 -1.26 -0.94 113.70 117.92 1tow s SER 63 Ca 0.08 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 56.76 1tow s SER 63 Cb -0.08 -0.81 0.04 0.00 0.21 0.00 0.00 66.02 65.38 1tow s SER 63 CO -0.01 0.15 0.47 0.72 0.41 0.00 0.00 173.24 174.99 1tow s PHE 64 N 0.14 -0.24 -0.13 2.43 -0.71 -0.49 -4.97 117.98 114.01 1tow s PHE 64 Ca -0.08 -0.06 -0.03 0.00 -1.04 0.00 0.00 56.93 55.72 1tow s PHE 64 Cb -0.14 0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 1tow s PHE 64 CO 0.04 -0.79 -0.02 0.42 -1.34 0.00 0.00 175.22 173.53 1tow s ILE 65 N -3.81 4.10 0.08 -4.49 1.01 -1.26 -0.89 121.20 115.93 1tow s ILE 65 Ca 0.04 -0.30 -0.36 0.00 0.00 0.00 0.00 60.65 60.03 1tow s ILE 65 Cb 0.01 -2.77 -0.16 0.00 0.01 0.00 0.00 42.46 39.54 1tow s ILE 65 CO -0.10 0.53 1.40 0.18 0.00 0.00 0.00 174.94 176.95 1tow n LEU 66 N 3.05 1.89 -0.01 2.97 4.77 -1.26 -1.86 117.00 126.55 1tow n LEU 66 Ca -0.18 1.11 -0.00 0.00 -0.03 0.00 0.00 56.01 56.91 1tow n LEU 66 Cb 0.53 -1.22 -0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1tow n LEU 66 CO 0.31 -0.90 -0.00 0.61 -1.33 0.00 0.00 177.39 176.08 1tow n GLY 67 N 2.74 0.47 3.10 -0.72 0.00 0.96 -4.98 105.19 106.75 1tow n GLY 67 Ca 0.19 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1tow n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1tow s GLN 68 N -0.39 2.60 0.42 1.61 0.74 -0.78 -5.00 119.66 118.87 1tow s GLN 68 Ca 0.00 -1.10 -0.26 0.00 0.05 0.00 0.00 55.36 54.05 1tow s GLN 68 Cb 0.00 -2.75 -0.09 0.00 1.10 0.00 0.00 33.01 31.27 1tow s GLN 68 CO 0.00 -0.40 1.41 -2.00 -0.55 0.00 0.00 175.29 173.75 1tow s GLU 69 N 1.19 3.84 0.05 1.67 2.12 -1.26 -4.61 118.70 121.70 1tow s GLU 69 Ca -0.02 2.39 -0.09 0.00 0.36 0.00 0.00 54.97 57.60 1tow s GLU 69 Cb -0.17 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.48 1tow s GLU 69 CO -0.09 -0.68 0.19 -0.59 -0.54 0.00 0.00 175.26 173.55 1tow s PHE 70 N -1.20 0.08 0.02 5.30 -0.71 -0.10 -4.97 117.98 116.40 1tow s PHE 70 Ca 0.58 -0.34 -0.27 0.00 -1.04 0.00 0.00 56.93 55.86 1tow s PHE 70 Cb -0.43 -0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.30 1tow s PHE 70 CO 0.56 -0.45 0.87 -0.51 -1.34 0.00 0.00 175.22 174.34 1tow s ASP 71 N -2.24 7.27 -0.04 1.98 1.01 -1.26 -0.33 116.67 123.06 1tow s ASP 71 Ca -0.03 1.53 0.05 0.00 0.71 0.00 0.00 52.55 54.81 1tow s ASP 71 Cb 0.00 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 1tow s ASP 71 CO -0.05 -0.13 -0.18 -0.70 0.21 0.00 0.00 175.17 174.32 1tow s GLU 72 N 0.53 1.80 -0.32 8.23 2.12 -0.30 -4.94 118.70 125.82 1tow s GLU 72 Ca 0.45 -0.64 -0.13 0.00 0.36 0.00 0.00 54.97 55.00 1tow s GLU 72 Cb -0.21 -1.59 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 1tow s GLU 72 CO 0.25 0.28 0.25 0.08 -0.54 0.00 0.00 175.26 175.58 1tow s VAL 73 N -0.06 5.27 0.78 3.70 1.01 -1.26 -1.11 120.40 128.73 1tow s VAL 73 Ca -0.02 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1tow s VAL 73 Cb -0.11 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.65 1tow s VAL 73 CO 0.02 0.04 1.15 0.42 0.00 0.00 0.00 175.10 176.73 1tow s THR 74 N 1.79 2.36 0.47 3.92 -4.23 -0.65 -4.89 115.64 114.40 1tow s THR 74 Ca 0.07 0.10 0.23 0.00 -1.18 0.00 0.00 61.69 60.91 1tow s THR 74 Cb -0.17 -3.11 0.42 0.00 1.34 0.00 0.00 72.50 70.97 1tow s THR 74 CO 0.11 -0.15 1.88 0.00 -0.54 0.00 0.00 174.62 175.92 1tow h ALA 75 N -0.94 2.44 -0.55 3.99 0.00 -1.97 -0.77 119.26 121.47 1tow h ALA 75 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1tow h ALA 75 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1tow h ALA 75 CO 0.65 -0.71 0.00 -0.40 0.00 0.00 0.00 179.25 178.79 1tow n ASP 76 N -4.42 4.06 -0.38 0.00 5.75 -1.26 -4.94 116.55 115.36 1tow n ASP 76 Ca 0.18 -2.37 -0.04 0.00 -0.01 0.00 0.00 54.79 52.55 1tow n ASP 76 Cb 0.78 -0.53 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 1tow n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1tow n ASP 77 N 0.92 -3.21 -4.77 -1.12 8.00 -0.30 -5.02 116.55 111.06 1tow n ASP 77 Ca 0.22 0.08 -0.38 0.00 0.71 0.00 0.00 54.79 55.42 1tow n ASP 77 Cb 0.77 -1.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.38 1tow n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1tow s ARG 78 N -2.78 4.71 -0.41 -1.24 0.52 -1.26 -4.81 118.95 113.68 1tow s ARG 78 Ca 0.00 1.40 -0.13 0.00 -0.52 0.00 0.00 55.73 56.48 1tow s ARG 78 Cb 0.00 -3.03 0.03 0.00 0.52 0.00 0.00 34.95 32.48 1tow s ARG 78 CO 0.00 0.39 0.28 0.15 0.02 0.00 0.00 175.30 176.14 1tow s LYS 79 N -1.64 2.90 0.24 3.54 1.02 -1.26 -1.64 119.74 122.91 1tow s LYS 79 Ca 0.46 -1.10 0.09 0.00 0.02 0.00 0.00 55.97 55.44 1tow s LYS 79 Cb -0.22 -3.91 -0.05 0.00 -0.52 0.00 0.00 37.83 33.13 1tow s LYS 79 CO 0.28 -0.78 -0.15 0.14 -0.92 0.00 0.00 175.35 173.92 1tow s VAL 80 N 1.62 2.00 -0.32 3.17 -7.23 -0.27 -4.81 120.40 114.56 1tow s VAL 80 Ca 0.04 -2.27 -0.12 0.00 -1.81 0.00 0.00 61.98 57.82 1tow s VAL 80 Cb -0.20 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1tow s VAL 80 CO 0.08 -0.48 0.22 -0.54 -0.31 0.00 0.00 175.10 174.07 1tow s LYS 81 N -3.61 3.63 -0.08 4.82 -0.14 0.11 -1.15 119.74 123.32 1tow s LYS 81 Ca 0.26 -0.54 -0.01 0.00 -1.36 0.00 0.00 55.97 54.32 1tow s LYS 81 Cb -0.02 -3.74 -0.03 0.00 -1.68 0.00 0.00 37.83 32.36 1tow s LYS 81 CO 0.11 -0.36 -0.04 -1.12 -0.76 0.00 0.00 175.35 173.18 1tow s SER 82 N 1.73 4.90 -0.04 2.83 0.01 0.55 -0.80 113.70 122.88 1tow s SER 82 Ca 0.06 0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.37 1tow s SER 82 Cb -0.17 -1.33 0.02 0.00 0.21 0.00 0.00 66.02 64.75 1tow s SER 82 CO 0.10 0.36 -0.02 -0.89 0.41 0.00 0.00 173.24 173.20 1tow s THR 83 N -0.76 0.37 -0.07 1.44 2.01 -0.51 -0.93 115.64 117.20 1tow s THR 83 Ca 0.12 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.13 1tow s THR 83 Cb -0.11 -0.43 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 1tow s THR 83 CO 0.02 0.19 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.30 1tow s ILE 84 N 0.94 1.76 0.24 1.82 1.01 -1.26 -1.38 121.20 124.34 1tow s ILE 84 Ca -0.11 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1tow s ILE 84 Cb -0.14 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 1tow s ILE 84 CO -0.01 0.50 -0.01 0.42 0.00 0.00 0.00 174.94 175.84 1tow s THR 85 N 0.18 1.15 -0.23 2.92 -4.23 -0.65 -0.02 115.64 114.75 1tow s THR 85 Ca -0.10 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.32 1tow s THR 85 Cb -0.15 -2.36 -0.00 0.00 1.34 0.00 0.00 72.50 71.32 1tow s THR 85 CO 0.05 -0.32 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.56 1tow s LEU 86 N -3.33 3.03 -0.30 4.79 2.96 -1.26 -0.74 118.68 123.83 1tow s LEU 86 Ca 0.29 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1tow s LEU 86 Cb 0.05 -1.75 0.10 0.00 0.50 0.00 0.00 46.19 45.09 1tow s LEU 86 CO 0.09 -0.05 0.09 -0.62 -1.32 0.00 0.00 176.35 174.54 1tow s ASP 87 N 1.47 3.98 -1.39 3.68 3.68 0.92 -4.78 116.67 124.22 1tow s ASP 87 Ca 0.05 -1.59 -0.09 0.00 2.13 0.00 0.00 52.55 53.05 1tow s ASP 87 Cb -0.15 -0.88 0.03 0.00 -1.45 0.00 0.00 42.92 40.48 1tow s ASP 87 CO -0.03 -0.40 1.06 0.61 0.13 0.00 0.00 175.17 176.54 1tow n GLY 88 N 4.84 -0.49 2.74 2.66 0.00 -1.26 -1.34 105.19 112.34 1tow n GLY 88 Ca -0.03 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1tow n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tow n GLY 89 N -1.78 0.87 3.52 -0.02 0.00 -1.26 -5.03 105.19 101.50 1tow n GLY 89 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1tow n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tow s VAL 90 N -3.50 4.31 -0.48 1.61 1.01 -0.45 -4.61 120.40 118.30 1tow s VAL 90 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 1tow s VAL 90 Cb 0.00 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.46 1tow s VAL 90 CO 0.00 0.43 1.11 -0.76 0.00 0.00 0.00 175.10 175.88 1tow s LEU 91 N 0.83 3.67 -0.27 3.92 1.43 -0.52 -0.06 118.68 127.69 1tow s LEU 91 Ca 0.02 0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 53.43 1tow s LEU 91 Cb -0.14 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 1tow s LEU 91 CO 0.02 -1.24 0.10 -0.69 0.23 0.00 0.00 176.35 174.77 1tow s VAL 92 N 4.40 4.46 -0.19 -1.59 1.01 0.08 -1.01 120.40 127.55 1tow s VAL 92 Ca 0.46 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1tow s VAL 92 Cb -0.07 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.18 1tow s VAL 92 CO 0.31 0.25 -0.18 -2.28 0.00 0.00 0.00 175.10 173.20 1tow s HIS 93 N 1.62 2.83 -0.13 5.22 5.04 0.32 -1.64 115.29 128.56 1tow s HIS 93 Ca 0.06 -1.75 -0.00 0.00 -1.54 0.00 0.00 55.06 51.83 1tow s HIS 93 Cb -0.16 -1.90 -0.02 0.00 0.04 0.00 0.00 32.58 30.55 1tow s HIS 93 CO 0.05 -0.81 -0.12 0.08 -2.34 0.00 0.00 174.74 171.60 1tow s VAL 94 N 1.27 3.18 -0.14 0.89 1.01 -0.48 0.34 120.40 126.47 1tow s VAL 94 Ca 0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1tow s VAL 94 Cb -0.14 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1tow s VAL 94 CO -0.11 0.52 -0.10 -1.10 0.00 0.00 0.00 175.10 174.31 1tow s GLN 95 N 0.28 3.47 -0.07 2.72 -0.21 -0.18 -1.42 119.66 124.24 1tow s GLN 95 Ca -0.09 -0.63 0.04 0.00 0.02 0.00 0.00 55.36 54.70 1tow s GLN 95 Cb -0.15 -2.73 -0.00 0.00 1.00 0.00 0.00 33.01 31.13 1tow s GLN 95 CO 0.05 0.21 -0.22 0.15 -2.12 0.00 0.00 175.29 173.36 1tow s LYS 96 N 0.39 2.52 -0.28 2.91 1.02 0.02 -1.43 119.74 124.89 1tow s LYS 96 Ca -0.08 -0.78 -0.18 0.00 0.02 0.00 0.00 55.97 54.95 1tow s LYS 96 Cb -0.15 -2.02 0.10 0.00 -0.52 0.00 0.00 37.83 35.24 1tow s LYS 96 CO 0.05 0.23 0.78 1.67 -0.92 0.00 0.00 175.35 177.16 1tow s TRP 97 N 0.19 -0.87 -1.45 3.18 -2.14 -0.58 -0.71 118.94 116.56 1tow s TRP 97 Ca -0.12 1.82 -0.11 0.00 2.66 0.00 0.00 56.10 60.35 1tow s TRP 97 Cb -0.15 0.50 0.05 0.00 -3.10 0.00 0.00 33.47 30.76 1tow s TRP 97 CO 0.06 -0.43 1.06 -0.25 -2.66 0.00 0.00 176.95 174.73 1tow n ASP 98 N 3.78 -5.33 0.00 -2.66 8.00 -1.26 -0.92 116.55 118.16 1tow n ASP 98 Ca -0.18 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1tow n ASP 98 Cb 0.58 -4.39 0.00 0.00 -0.02 0.00 0.00 41.12 37.29 1tow n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tow n GLY 99 N -1.82 0.41 3.93 0.44 0.00 -1.26 -4.98 105.19 101.92 1tow n GLY 99 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1tow n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tow s LYS 100 N -0.68 3.21 -0.05 1.61 1.02 -0.09 -5.13 119.74 119.63 1tow s LYS 100 Ca 0.00 -0.92 -0.05 0.00 0.02 0.00 0.00 55.97 55.02 1tow s LYS 100 Cb 0.00 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 1tow s LYS 100 CO 0.00 0.32 0.14 0.45 -0.92 0.00 0.00 175.35 175.35 1tow s SER 101 N -3.99 -0.12 0.04 2.83 0.15 -1.26 -1.52 113.70 109.83 1tow s SER 101 Ca 0.37 0.22 0.02 0.00 0.70 0.00 0.00 55.95 57.25 1tow s SER 101 Cb -0.09 0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 1tow s SER 101 CO 0.28 -0.10 -0.08 0.28 1.20 0.00 0.00 173.24 174.82 1tow s THR 102 N -0.15 0.56 -0.08 6.45 -1.32 -0.51 -4.66 115.64 115.93 1tow s THR 102 Ca -0.02 -1.08 0.04 0.00 -1.21 0.00 0.00 61.69 59.41 1tow s THR 102 Cb -0.02 -0.63 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1tow s THR 102 CO 0.00 -0.37 -0.20 -0.89 -2.21 0.00 0.00 174.62 170.96 1tow s THR 103 N -1.36 1.70 -0.23 5.08 2.01 -0.95 -1.01 115.64 120.87 1tow s THR 103 Ca -0.10 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.07 1tow s THR 103 Cb -0.10 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.94 1tow s THR 103 CO 0.00 0.48 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.72 1tow s ILE 104 N 0.39 2.93 -0.19 1.82 1.01 0.15 -0.95 121.20 126.37 1tow s ILE 104 Ca -0.15 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.57 1tow s ILE 104 Cb -0.16 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 1tow s ILE 104 CO 0.06 0.30 0.04 -0.54 0.00 0.00 0.00 174.94 174.80 1tow s LYS 105 N 1.36 3.84 -0.16 2.79 1.02 0.07 -0.52 119.74 128.14 1tow s LYS 105 Ca 0.02 -0.42 -0.00 0.00 0.02 0.00 0.00 55.97 55.59 1tow s LYS 105 Cb -0.16 -3.15 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1tow s LYS 105 CO -0.05 0.18 -0.13 1.03 -0.92 0.00 0.00 175.35 175.46 1tow s ARG 106 N 0.59 3.27 0.05 1.68 0.52 -0.18 -0.50 118.95 124.38 1tow s ARG 106 Ca 0.02 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 1tow s ARG 106 Cb -0.13 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 1tow s ARG 106 CO 0.02 0.03 -0.06 -1.59 0.02 0.00 0.00 175.30 173.72 1tow s LYS 107 N 0.79 0.54 -0.14 3.54 -2.85 0.08 -1.43 119.74 120.27 1tow s LYS 107 Ca -0.05 -0.86 -0.18 0.00 -1.00 0.00 0.00 55.97 53.88 1tow s LYS 107 Cb -0.15 -0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.43 1tow s LYS 107 CO 0.01 0.00 0.47 1.03 0.10 0.00 0.00 175.35 176.96 1tow s ARG 108 N -2.14 4.29 -0.18 1.78 1.81 -1.26 0.02 118.95 123.27 1tow s ARG 108 Ca -0.06 0.41 -0.05 0.00 -1.72 0.00 0.00 55.73 54.31 1tow s ARG 108 Cb -0.06 -3.47 0.07 0.00 -0.45 0.00 0.00 34.95 31.04 1tow s ARG 108 CO -0.02 0.08 0.13 -2.00 -0.68 0.00 0.00 175.30 172.82 1tow s GLU 109 N 0.88 0.11 7.99 3.54 2.12 -0.47 -4.97 118.70 127.90 1tow s GLU 109 Ca 0.25 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.57 1tow s GLU 109 Cb -0.15 -1.61 0.00 0.00 0.26 0.00 0.00 34.13 32.63 1tow s GLU 109 CO 0.10 -0.68 0.00 -0.25 -0.54 0.00 0.00 175.26 173.89 1tow n ASP 110 N 5.29 0.00 -1.21 -1.70 8.00 -1.26 -0.56 116.55 125.11 1tow n ASP 110 Ca -0.06 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.50 1tow n ASP 110 Cb 0.49 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.88 1tow n ASP 110 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1tow n ASP 111 N 8.02 4.28 -4.92 -2.24 5.68 -1.26 -4.98 116.55 121.13 1tow n ASP 111 Ca 0.00 -3.06 -0.30 0.00 -0.50 0.00 0.00 54.79 50.93 1tow n ASP 111 Cb 0.00 -0.60 -0.04 0.00 -1.14 0.00 0.00 41.12 39.34 1tow n ASP 111 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1tow s LYS 112 N -2.86 3.48 -0.28 0.11 1.02 0.28 -4.33 119.74 117.16 1tow s LYS 112 Ca 0.46 -0.39 -0.06 0.00 0.02 0.00 0.00 55.97 56.00 1tow s LYS 112 Cb 0.37 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 1tow s LYS 112 CO 0.10 0.54 0.06 -1.17 -0.92 0.00 0.00 175.35 173.96 1tow s LEU 113 N -2.76 3.65 -0.19 3.17 2.96 0.35 -1.37 118.68 124.49 1tow s LEU 113 Ca 0.36 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 1tow s LEU 113 Cb -0.12 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1tow s LEU 113 CO 0.28 -0.14 0.04 -0.69 -1.32 0.00 0.00 176.35 174.51 1tow s VAL 114 N 1.51 4.44 -0.23 1.68 1.01 0.10 -0.72 120.40 128.19 1tow s VAL 114 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1tow s VAL 114 Cb -0.16 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1tow s VAL 114 CO 0.02 0.44 -0.09 -0.69 0.00 0.00 0.00 175.10 174.78 1tow s VAL 115 N 0.64 2.73 -0.23 2.92 1.01 0.65 -0.74 120.40 127.39 1tow s VAL 115 Ca 0.02 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 1tow s VAL 115 Cb -0.13 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1tow s VAL 115 CO 0.02 0.27 0.01 -0.70 0.00 0.00 0.00 175.10 174.70 1tow s GLU 116 N 1.32 3.55 -0.19 2.72 2.12 0.35 -0.61 118.70 127.96 1tow s GLU 116 Ca 0.01 -0.54 -0.03 0.00 0.36 0.00 0.00 54.97 54.77 1tow s GLU 116 Cb -0.16 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 1tow s GLU 116 CO -0.06 -0.14 -0.07 0.00 -0.54 0.00 0.00 175.26 174.45 1tow s VAL 118 N 1.14 2.19 -0.11 0.00 1.01 -0.12 -0.40 120.40 124.10 1tow s VAL 118 Ca 0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1tow s VAL 118 Cb -0.14 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.41 1tow s VAL 118 CO -0.01 0.55 0.05 -0.32 0.00 0.00 0.00 175.10 175.36 1tow s MET 119 N 0.65 0.26 4.64 2.72 1.75 -0.41 -2.24 119.30 126.66 1tow s MET 119 Ca -0.11 0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.37 1tow s MET 119 Cb -0.16 -1.30 0.00 0.00 2.84 0.00 0.00 34.83 36.21 1tow s MET 119 CO 0.02 -0.48 0.00 1.63 -0.65 0.00 0.00 175.02 175.54 1tow n LYS 120 N 5.21 0.00 -0.14 4.11 5.02 -1.26 -1.08 118.16 130.02 1tow n LYS 120 Ca -0.06 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.34 1tow n LYS 120 Cb 0.49 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.78 1tow n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tow n GLY 121 N 0.00 1.04 3.64 0.72 0.00 -1.26 -4.90 105.19 104.43 1tow n GLY 121 Ca 0.00 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1tow n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tow s VAL 122 N -1.63 5.04 -0.15 1.61 1.01 -0.24 -5.09 120.40 120.95 1tow s VAL 122 Ca 0.35 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1tow s VAL 122 Cb 0.20 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1tow s VAL 122 CO 0.29 0.41 -0.19 -0.89 0.00 0.00 0.00 175.10 174.71 1tow s THR 123 N 0.71 1.90 -0.11 3.92 2.01 -1.26 -1.28 115.64 121.53 1tow s THR 123 Ca 0.06 -0.86 -0.00 0.00 0.31 0.00 0.00 61.69 61.19 1tow s THR 123 Cb -0.13 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 1tow s THR 123 CO 0.02 0.52 -0.09 -0.55 -0.69 0.00 0.00 174.62 173.82 1tow s SER 124 N 1.14 4.37 -0.13 3.53 0.15 0.46 -4.75 113.70 118.48 1tow s SER 124 Ca -0.00 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.48 1tow s SER 124 Cb -0.14 -1.44 -0.01 0.00 -1.71 0.00 0.00 66.02 62.72 1tow s SER 124 CO -0.08 0.24 -0.17 -0.89 1.20 0.00 0.00 173.24 173.54 1tow s THR 125 N -0.08 2.65 -0.04 6.45 2.01 -0.85 -0.16 115.64 125.62 1tow s THR 125 Ca -0.00 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.23 1tow s THR 125 Cb -0.14 -2.09 -0.00 0.00 0.01 0.00 0.00 72.50 70.29 1tow s THR 125 CO 0.03 0.53 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.23 1tow s ARG 126 N 0.46 1.47 -0.12 4.92 0.52 0.22 -0.64 118.95 125.79 1tow s ARG 126 Ca -0.12 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 1tow s ARG 126 Cb -0.16 -1.31 -0.01 0.00 0.52 0.00 0.00 34.95 33.99 1tow s ARG 126 CO 0.05 0.19 -0.17 0.08 0.02 0.00 0.00 175.30 175.47 1tow s VAL 127 N 0.11 2.70 0.09 3.52 1.01 0.12 -0.25 120.40 127.70 1tow s VAL 127 Ca -0.04 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1tow s VAL 127 Cb -0.10 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1tow s VAL 127 CO 0.02 0.54 -0.09 -0.31 0.00 0.00 0.00 175.10 175.25 1tow s TYR 128 N 0.34 2.77 0.13 5.22 1.51 0.10 -0.45 117.35 126.97 1tow s TYR 128 Ca -0.14 -0.14 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 1tow s TYR 128 Cb -0.17 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1tow s TYR 128 CO 0.07 0.42 -0.13 -1.21 -1.11 0.00 0.00 175.55 173.59 1tow s GLU 129 N -2.13 1.02 0.35 -0.62 2.02 -0.44 -0.50 118.70 118.41 1tow s GLU 129 Ca 0.21 -1.29 -0.28 0.00 0.02 0.00 0.00 54.97 53.63 1tow s GLU 129 Cb -0.11 -0.81 -0.12 0.00 0.10 0.00 0.00 34.13 33.19 1tow s GLU 129 CO 0.13 0.14 1.32 0.54 0.02 0.00 0.00 175.26 177.41 1tow n ARG 130 N 0.34 2.21 0.00 1.61 1.74 -1.26 -0.67 116.66 120.62 1tow n ARG 130 Ca -0.14 0.77 0.07 0.00 -0.77 0.00 0.00 57.85 57.78 1tow n ARG 130 Cb 0.58 -2.38 0.42 0.00 -1.02 0.00 0.00 32.46 30.06 1tow n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11