#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3y s THR 3 N 0.00 2.81 0.41 0.00 2.01 -1.26 -4.89 115.64 114.72 1t3y s THR 3 Ca 0.00 0.69 0.07 0.00 0.31 0.00 0.00 61.69 62.77 1t3y s THR 3 Cb 0.00 -3.44 -0.07 0.00 0.01 0.00 0.00 72.50 68.99 1t3y s THR 3 CO 0.00 0.12 0.05 -0.54 -0.69 0.00 0.00 174.62 173.55 1t3y s LYS 4 N -0.53 2.02 -0.00 4.92 1.02 -0.11 -5.02 119.74 122.04 1t3y s LYS 4 Ca 0.57 -2.04 0.01 0.00 0.02 0.00 0.00 55.97 54.53 1t3y s LYS 4 Cb -0.40 -1.73 -0.00 0.00 -0.52 0.00 0.00 37.83 35.18 1t3y s LYS 4 CO 0.43 -0.06 -0.03 -1.50 -0.92 0.00 0.00 175.35 173.28 1t3y s ILE 5 N -2.68 0.23 -0.87 2.17 2.07 -1.26 -0.70 121.20 120.16 1t3y s ILE 5 Ca 0.36 -0.17 -0.22 0.00 -1.41 0.00 0.00 60.65 59.21 1t3y s ILE 5 Cb 0.08 -0.21 0.07 0.00 0.13 0.00 0.00 42.46 42.53 1t3y s ILE 5 CO 0.19 0.04 1.23 -0.62 -1.91 0.00 0.00 174.94 173.87 1t3y s ASP 6 N -0.14 6.41 0.16 4.50 3.68 -0.50 -4.88 116.67 125.89 1t3y s ASP 6 Ca 0.00 -1.33 -0.11 0.00 2.13 0.00 0.00 52.55 53.24 1t3y s ASP 6 Cb -0.02 -2.49 0.02 0.00 -1.45 0.00 0.00 42.92 38.99 1t3y s ASP 6 CO -0.00 -1.44 1.59 0.11 0.13 0.00 0.00 175.17 175.57 1t3y h LYS 7 N 9.53 0.93 -0.24 4.34 1.57 -1.98 -0.70 116.57 130.02 1t3y h LYS 7 Ca 0.00 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1t3y h LYS 7 Cb 1.03 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1t3y h LYS 7 CO 1.26 0.97 0.14 1.49 -0.57 0.00 0.00 179.45 182.74 1t3y h GLU 8 N 0.79 0.32 -0.40 3.15 4.81 -1.99 0.11 114.58 121.38 1t3y h GLU 8 Ca 0.14 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 1t3y h GLU 8 Cb 0.58 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1t3y h GLU 8 CO 0.03 0.28 -0.22 0.00 -0.73 0.00 0.00 179.01 178.37 1t3y h ALA 9 N 1.03 0.56 -0.30 2.92 0.00 -1.95 -2.18 119.26 119.34 1t3y h ALA 9 Ca 0.08 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1t3y h ALA 9 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1t3y h ALA 9 CO -0.01 0.54 -0.34 0.00 0.00 0.00 0.00 179.25 179.44 1t3y h ARG 11 N 0.56 1.25 -0.74 0.00 3.08 -0.64 -1.52 114.38 116.37 1t3y h ARG 11 Ca 0.06 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1t3y h ARG 11 Cb 0.85 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 1t3y h ARG 11 CO 0.07 0.83 0.45 0.00 -1.07 0.00 0.00 179.97 180.25 1t3y h ALA 12 N 1.41 0.94 -0.34 0.04 0.00 -1.16 0.15 119.26 120.30 1t3y h ALA 12 Ca 0.40 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1t3y h ALA 12 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1t3y h ALA 12 CO -0.12 0.41 0.09 0.00 0.00 0.00 0.00 179.25 179.63 1t3y h ALA 13 N 1.24 0.45 -0.29 0.00 0.00 -1.25 -1.43 119.26 117.98 1t3y h ALA 13 Ca 0.27 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1t3y h ALA 13 Cb -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1t3y h ALA 13 CO -0.05 0.11 0.06 -0.92 0.00 0.00 0.00 179.25 178.45 1t3y h TYR 14 N 0.40 0.10 -0.38 0.00 3.20 -1.06 -2.63 116.97 116.60 1t3y h TYR 14 Ca 0.11 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1t3y h TYR 14 Cb 0.28 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1t3y h TYR 14 CO 0.01 0.03 0.06 -0.91 -1.64 0.00 0.00 178.16 175.71 1t3y h ASN 15 N 0.17 0.53 -0.27 -2.11 2.35 -0.58 -1.44 115.58 114.23 1t3y h ASN 15 Ca 0.13 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1t3y h ASN 15 Cb 0.13 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1t3y h ASN 15 CO -0.17 0.56 0.17 0.25 -1.65 0.00 0.00 177.43 176.59 1t3y h LEU 16 N 0.56 0.29 -0.70 1.61 5.85 -0.95 -2.15 115.31 119.82 1t3y h LEU 16 Ca 0.13 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 1t3y h LEU 16 Cb 0.26 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1t3y h LEU 16 CO 0.00 0.21 -0.56 0.58 -0.34 0.00 0.00 178.44 178.34 1t3y h VAL 17 N 0.35 1.36 0.00 1.05 2.07 -1.12 -2.91 116.25 117.06 1t3y h VAL 17 Ca 0.10 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.75 1t3y h VAL 17 Cb -0.03 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1t3y h VAL 17 CO -0.03 0.56 0.00 0.54 0.02 0.00 0.00 177.57 178.66 1t3y n ARG 18 N -3.91 0.18 -2.70 1.57 1.74 -0.58 -4.50 116.66 108.47 1t3y n ARG 18 Ca -0.02 0.49 -0.43 0.00 -0.77 0.00 0.00 57.85 57.12 1t3y n ARG 18 Cb 0.59 -1.91 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 1t3y n ARG 18 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1t3y s ASP 19 N -4.22 6.46 0.62 0.55 2.15 -0.83 -4.89 116.67 116.51 1t3y s ASP 19 Ca 0.02 0.05 0.33 0.00 0.43 0.00 0.00 52.55 53.38 1t3y s ASP 19 Cb 0.08 -2.50 1.87 0.00 -0.30 0.00 0.00 42.92 42.07 1t3y s ASP 19 CO 0.34 -1.28 2.15 0.44 -0.17 0.00 0.00 175.17 176.65 1t3y h ASP 20 N 9.33 0.00 0.02 -0.34 3.32 -1.86 -1.31 116.42 125.57 1t3y h ASP 20 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1t3y h ASP 20 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1t3y h ASP 20 CO 1.12 0.00 -0.10 0.61 -1.72 0.00 0.00 179.24 179.15 1t3y n GLY 21 N -1.28 0.23 0.12 2.75 0.00 -1.26 -4.62 105.19 101.12 1t3y n GLY 21 Ca -0.01 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.60 1t3y n GLY 21 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1t3y h SER 22 N 2.93 0.00 0.00 1.61 4.64 -1.50 -3.47 113.55 117.77 1t3y h SER 22 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1t3y h SER 22 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1t3y h SER 22 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1t3y n ALA 23 N -1.82 0.00 -2.50 5.18 0.00 -1.26 -4.98 120.51 115.13 1t3y n ALA 23 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1t3y n ALA 23 Cb 0.39 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 1t3y n ALA 23 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1t3y s VAL 24 N -2.68 5.24 -0.71 0.00 1.01 -1.26 -4.34 120.40 117.66 1t3y s VAL 24 Ca 0.00 -0.38 0.15 0.00 0.00 0.00 0.00 61.98 61.75 1t3y s VAL 24 Cb 0.00 -3.85 -0.16 0.00 0.00 0.00 0.00 36.38 32.37 1t3y s VAL 24 CO 0.00 -0.19 0.64 2.30 0.00 0.00 0.00 175.10 177.84 1t3y n ILE 25 N 5.18 0.00 -3.80 2.22 -5.35 -0.08 -4.34 119.36 113.20 1t3y n ILE 25 Ca -0.11 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.10 1t3y n ILE 25 Cb 0.48 1.00 -0.10 0.00 -1.74 0.00 0.00 39.64 39.29 1t3y n ILE 25 CO 0.00 0.00 0.00 -1.66 -1.76 0.00 0.00 176.55 173.13 1t3y s TRP 26 N -2.40 -0.15 0.03 4.28 1.48 -0.93 -0.68 118.94 120.58 1t3y s TRP 26 Ca 0.06 0.28 0.03 0.00 -1.06 0.00 0.00 56.10 55.40 1t3y s TRP 26 Cb 0.11 0.06 -0.02 0.00 -1.16 0.00 0.00 33.47 32.46 1t3y s TRP 26 CO 0.61 -0.30 -0.09 0.14 -4.06 0.00 0.00 176.95 173.25 1t3y s VAL 27 N -0.97 0.69 0.26 -0.66 -7.23 -0.69 -1.24 120.40 110.57 1t3y s VAL 27 Ca -0.10 -0.90 0.09 0.00 -1.81 0.00 0.00 61.98 59.26 1t3y s VAL 27 Cb -0.05 -0.68 -0.04 0.00 0.56 0.00 0.00 36.38 36.17 1t3y s VAL 27 CO 0.03 -0.18 0.04 0.42 -0.31 0.00 0.00 175.10 175.10 1t3y s THR 28 N -0.98 3.64 -0.03 5.32 -4.23 -0.55 -1.18 115.64 117.63 1t3y s THR 28 Ca -0.04 -1.81 0.03 0.00 -1.18 0.00 0.00 61.69 58.69 1t3y s THR 28 Cb -0.08 -2.96 -0.00 0.00 1.34 0.00 0.00 72.50 70.80 1t3y s THR 28 CO 0.01 -0.37 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.24 1t3y s PHE 29 N -2.29 1.19 0.13 3.99 0.08 0.76 -0.45 117.98 121.38 1t3y s PHE 29 Ca 0.32 -0.30 0.01 0.00 0.12 0.00 0.00 56.93 57.08 1t3y s PHE 29 Cb -0.07 -0.81 -0.04 0.00 -0.57 0.00 0.00 43.02 41.53 1t3y s PHE 29 CO 0.21 -0.10 -0.01 0.15 -0.10 0.00 0.00 175.22 175.37 1t3y s LYS 30 N 0.04 0.92 -0.10 0.44 1.02 0.15 -1.27 119.74 120.95 1t3y s LYS 30 Ca -0.01 -1.41 -0.27 0.00 0.02 0.00 0.00 55.97 54.29 1t3y s LYS 30 Cb -0.08 -0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.12 1t3y s LYS 30 CO 0.01 -0.12 0.91 0.71 -0.92 0.00 0.00 175.35 175.93 1t3y s TYR 31 N -3.76 3.52 -0.61 3.18 1.51 -1.26 -0.86 117.35 119.06 1t3y s TYR 31 Ca 0.18 1.46 -0.05 0.00 -1.01 0.00 0.00 57.07 57.66 1t3y s TYR 31 Cb 0.06 -3.07 0.16 0.00 -0.11 0.00 0.00 41.96 39.00 1t3y s TYR 31 CO -0.01 -0.14 0.45 0.34 -1.11 0.00 0.00 175.55 175.07 1t3y s ASP 32 N 1.05 5.47 1.87 2.29 3.68 0.27 -4.97 116.67 126.34 1t3y s ASP 32 Ca 0.44 -2.66 0.00 0.00 2.13 0.00 0.00 52.55 52.47 1t3y s ASP 32 Cb -0.18 -1.91 0.00 0.00 -1.45 0.00 0.00 42.92 39.38 1t3y s ASP 32 CO 0.18 -0.44 0.00 0.61 0.13 0.00 0.00 175.17 175.65 1t3y n GLY 33 N 3.80 3.92 1.25 2.66 0.00 -1.26 -2.27 105.19 113.28 1t3y n GLY 33 Ca 0.06 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1t3y n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t3y n SER 34 N 8.18 3.63 -4.38 1.61 3.41 -1.26 -4.88 113.62 119.94 1t3y n SER 34 Ca 0.00 -1.99 -0.33 0.00 -0.26 0.00 0.00 58.87 56.29 1t3y n SER 34 Cb 0.00 -0.42 -0.14 0.00 -0.26 0.00 0.00 64.21 63.39 1t3y n SER 34 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1t3y s THR 35 N -1.17 3.02 -0.11 6.66 2.01 -0.96 -0.93 115.64 124.16 1t3y s THR 35 Ca 0.45 -0.68 -0.28 0.00 0.31 0.00 0.00 61.69 61.49 1t3y s THR 35 Cb 0.24 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1t3y s THR 35 CO 0.32 0.53 0.92 -0.63 -0.69 0.00 0.00 174.62 175.07 1t3y s ILE 36 N 0.21 4.85 0.17 1.82 1.01 0.12 -0.57 121.20 128.82 1t3y s ILE 36 Ca -0.08 1.85 0.04 0.00 0.00 0.00 0.00 60.65 62.46 1t3y s ILE 36 Cb -0.15 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 1t3y s ILE 36 CO 0.05 0.06 -0.08 0.68 0.00 0.00 0.00 174.94 175.65 1t3y s VAL 37 N 1.80 1.12 0.56 2.92 -7.23 -0.04 -1.41 120.40 118.12 1t3y s VAL 37 Ca 0.44 -2.05 -0.20 0.00 -1.81 0.00 0.00 61.98 58.36 1t3y s VAL 37 Cb -0.18 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 1t3y s VAL 37 CO 0.17 -0.64 1.25 -2.84 -0.31 0.00 0.00 175.10 172.73 1t3y s PRO 38 N -3.78 3.15 0.00 4.82 0.02 -1.26 -0.67 135.00 137.27 1t3y s PRO 38 Ca 0.20 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.17 1t3y s PRO 38 Cb 0.03 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1t3y s PRO 38 CO 0.03 -1.10 0.00 0.41 -0.33 0.00 0.00 177.00 176.01 1t3y n GLY 39 N 0.59 0.14 3.62 0.52 0.00 0.40 -4.70 105.19 105.76 1t3y n GLY 39 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1t3y n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t3y s GLU 40 N 0.55 2.06 0.05 1.61 8.01 -1.25 -4.93 118.70 124.80 1t3y s GLU 40 Ca 0.00 -1.75 0.04 0.00 0.01 0.00 0.00 54.97 53.27 1t3y s GLU 40 Cb 0.00 -1.92 -0.03 0.00 -4.31 0.00 0.00 34.13 27.88 1t3y s GLU 40 CO 0.00 0.15 -0.11 -0.65 0.01 0.00 0.00 175.26 174.65 1t3y s GLN 41 N -3.70 0.69 0.09 1.61 -0.21 -1.26 -1.49 119.66 115.39 1t3y s GLN 41 Ca 0.34 -0.83 -0.15 0.00 0.02 0.00 0.00 55.36 54.74 1t3y s GLN 41 Cb -0.00 -0.60 0.03 0.00 1.00 0.00 0.00 33.01 33.44 1t3y s GLN 41 CO 0.19 0.13 0.36 0.20 -2.12 0.00 0.00 175.29 174.04 1t3y s GLY 42 N -1.58 -0.19 -0.02 3.09 0.00 -0.37 -5.00 107.32 103.25 1t3y s GLY 42 Ca -0.05 -0.04 0.21 0.00 0.00 0.00 0.00 44.72 44.84 1t3y s GLY 42 CO 0.01 -0.28 0.59 0.00 0.00 0.00 0.00 173.10 173.42 1t3y n ALA 43 N 0.11 3.38 -3.80 3.20 0.00 -1.26 -0.90 120.51 121.24 1t3y n ALA 43 Ca -0.17 -0.52 -0.33 0.00 0.00 0.00 0.00 53.44 52.42 1t3y n ALA 43 Cb 0.62 -0.72 -0.16 0.00 0.00 0.00 0.00 19.45 19.19 1t3y n ALA 43 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t3y s GLU 44 N -3.27 3.05 0.40 0.00 2.02 -1.26 -4.71 118.70 114.93 1t3y s GLU 44 Ca -0.03 -0.82 0.09 0.00 0.02 0.00 0.00 54.97 54.23 1t3y s GLU 44 Cb 0.14 -2.53 0.83 0.00 0.10 0.00 0.00 34.13 32.67 1t3y s GLU 44 CO 0.85 -0.09 1.97 -0.92 0.02 0.00 0.00 175.26 177.10 1t3y h TYR 45 N 7.57 0.33 -0.09 1.61 5.03 -1.99 -2.14 116.97 127.29 1t3y h TYR 45 Ca -0.38 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 60.93 1t3y h TYR 45 Cb 1.17 -0.10 -0.00 0.00 1.55 0.00 0.00 36.73 39.35 1t3y h TYR 45 CO 0.48 0.34 0.06 0.37 -1.32 0.00 0.00 178.16 178.09 1t3y h GLN 46 N 0.32 0.05 0.00 1.82 5.75 -2.00 -0.34 115.11 120.71 1t3y h GLN 46 Ca 0.07 -0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1t3y h GLN 46 Cb 0.22 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1t3y h GLN 46 CO 0.01 0.03 -0.23 0.45 -2.65 0.00 0.00 178.83 176.43 1t3y h HIS 47 N 0.05 0.00 0.03 3.99 3.86 -1.82 -2.41 115.15 118.85 1t3y h HIS 47 Ca 0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1t3y h HIS 47 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1t3y h HIS 47 CO -0.00 0.23 -0.01 0.35 0.86 0.00 0.00 177.93 179.36 1t3y h PHE 48 N 0.00 -0.03 -1.00 2.45 3.57 -1.14 -3.15 116.94 117.63 1t3y h PHE 48 Ca -0.00 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 1t3y h PHE 48 Cb 0.78 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.45 1t3y h PHE 48 CO 0.00 0.28 0.63 0.82 -2.23 0.00 0.00 178.31 177.81 1t3y h ILE 49 N -0.35 0.89 0.00 1.41 2.04 -1.15 -0.26 117.51 120.09 1t3y h ILE 49 Ca -0.00 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1t3y h ILE 49 Cb 0.33 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1t3y h ILE 49 CO 0.01 0.18 -0.08 1.56 0.00 0.00 0.00 178.15 179.81 1t3y h GLN 50 N 0.96 0.00 0.00 2.37 4.20 -1.41 -1.34 115.11 119.89 1t3y h GLN 50 Ca 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.21 1t3y h GLN 50 Cb 0.55 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1t3y h GLN 50 CO -0.28 0.08 -0.04 1.96 -0.67 0.00 0.00 178.83 179.88 1t3y h GLN 51 N 0.00 0.00 -3.89 1.46 1.08 -1.02 -3.39 115.11 109.35 1t3y h GLN 51 Ca -0.00 0.00 -0.77 0.00 -1.45 0.00 0.00 58.65 56.43 1t3y h GLN 51 Cb 0.22 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 27.44 1t3y h GLN 51 CO 0.01 0.04 1.24 0.00 -0.95 0.00 0.00 178.83 179.17 1t3y s THR 53 N -0.05 3.36 -0.32 0.00 -4.23 -1.26 -4.96 115.64 108.18 1t3y s THR 53 Ca 0.38 0.07 0.24 0.00 -1.18 0.00 0.00 61.69 61.20 1t3y s THR 53 Cb -0.00 -3.38 0.25 0.00 1.34 0.00 0.00 72.50 70.71 1t3y s THR 53 CO 0.00 -0.42 1.73 0.44 -0.54 0.00 0.00 174.62 175.83 1t3y h ASP 54 N -0.38 0.00 0.11 3.99 3.32 -1.94 -3.01 116.42 118.51 1t3y h ASP 54 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1t3y h ASP 54 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1t3y h ASP 54 CO 0.62 0.00 -0.58 0.47 -1.72 0.00 0.00 179.24 178.02 1t3y n ASP 55 N -2.32 1.33 -4.41 6.45 8.00 -1.26 -1.18 116.55 123.16 1t3y n ASP 55 Ca 0.01 -1.07 -0.22 0.00 0.71 0.00 0.00 54.79 54.22 1t3y n ASP 55 Cb 0.16 0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 41.68 1t3y n ASP 55 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1t3y s VAL 56 N -2.70 2.13 -0.00 2.53 0.11 -1.14 -4.82 120.40 116.51 1t3y s VAL 56 Ca 0.16 -2.30 0.07 0.00 -2.93 0.00 0.00 61.98 56.97 1t3y s VAL 56 Cb 0.18 -2.17 -0.02 0.00 -1.53 0.00 0.00 36.38 32.84 1t3y s VAL 56 CO 0.66 -0.48 -0.21 0.00 -3.33 0.00 0.00 175.10 171.75 1t3y s ARG 57 N -3.53 1.62 0.26 1.54 1.70 -1.26 -1.24 118.95 118.04 1t3y s ARG 57 Ca 0.26 -0.79 -0.19 0.00 -0.47 0.00 0.00 55.73 54.55 1t3y s ARG 57 Cb -0.03 -1.60 0.02 0.00 -0.57 0.00 0.00 34.95 32.76 1t3y s ARG 57 CO 0.11 0.43 0.64 -0.48 -1.08 0.00 0.00 175.30 174.92 1t3y s LEU 58 N -0.63 -0.10 0.08 -1.89 0.05 -0.22 -4.73 118.68 111.23 1t3y s LEU 58 Ca 0.08 -0.65 0.09 0.00 0.05 0.00 0.00 54.13 53.69 1t3y s LEU 58 Cb -0.08 2.43 -0.04 0.00 -2.05 0.00 0.00 46.19 46.46 1t3y s LEU 58 CO -0.00 -1.25 -0.21 -0.36 -0.55 0.00 0.00 176.35 173.97 1t3y s PHE 59 N -3.93 2.47 0.00 3.48 0.40 -0.40 -0.92 117.98 119.09 1t3y s PHE 59 Ca 0.13 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1t3y s PHE 59 Cb -0.04 -1.38 -0.01 0.00 0.51 0.00 0.00 43.02 42.10 1t3y s PHE 59 CO 0.06 0.29 -0.02 0.00 0.70 0.00 0.00 175.22 176.24 1t3y s ALA 60 N -1.00 0.18 -0.15 5.36 0.00 0.75 -0.17 121.76 126.73 1t3y s ALA 60 Ca 0.15 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.94 1t3y s ALA 60 Cb -0.10 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1t3y s ALA 60 CO 0.06 0.01 -0.21 0.12 0.00 0.00 0.00 175.76 175.74 1t3y s PHE 61 N -0.32 2.70 -0.03 0.00 5.36 -0.32 -0.59 117.98 124.78 1t3y s PHE 61 Ca -0.02 -1.45 0.02 0.00 -0.96 0.00 0.00 56.93 54.52 1t3y s PHE 61 Cb -0.03 -1.85 0.01 0.00 -0.34 0.00 0.00 43.02 40.82 1t3y s PHE 61 CO -0.00 -0.68 -0.08 0.08 -1.46 0.00 0.00 175.22 173.08 1t3y s VAL 62 N 0.98 0.73 -0.26 3.12 1.01 -0.50 -1.70 120.40 123.78 1t3y s VAL 62 Ca -0.03 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 1t3y s VAL 62 Cb -0.15 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1t3y s VAL 62 CO -0.06 0.24 0.46 -0.60 0.00 0.00 0.00 175.10 175.15 1t3y s ARG 63 N 0.42 4.06 -0.02 2.72 3.52 0.15 -0.77 118.95 129.03 1t3y s ARG 63 Ca -0.07 0.22 0.01 0.00 -0.13 0.00 0.00 55.73 55.77 1t3y s ARG 63 Cb -0.11 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 1t3y s ARG 63 CO 0.01 -0.31 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.12 1t3y s PHE 64 N 2.17 3.07 -0.25 5.12 0.40 -0.06 -4.88 117.98 123.55 1t3y s PHE 64 Ca 0.19 0.09 -0.11 0.00 -0.60 0.00 0.00 56.93 56.50 1t3y s PHE 64 Cb -0.16 -1.69 -0.05 0.00 0.51 0.00 0.00 43.02 41.64 1t3y s PHE 64 CO 0.09 0.45 0.19 0.99 0.70 0.00 0.00 175.22 177.65 1t3y s THR 65 N -1.03 5.33 0.18 0.64 2.01 -1.26 -0.81 115.64 120.70 1t3y s THR 65 Ca 0.18 0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.49 1t3y s THR 65 Cb -0.11 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1t3y s THR 65 CO 0.08 0.31 -0.16 0.42 -0.69 0.00 0.00 174.62 174.57 1t3y s THR 66 N 1.30 1.79 0.00 -0.82 -4.23 -0.17 -4.98 115.64 108.52 1t3y s THR 66 Ca 0.09 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1t3y s THR 66 Cb -0.14 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.77 1t3y s THR 66 CO 0.07 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1t3y n GLY 67 N -0.03 -1.48 3.59 3.99 0.00 -1.26 -1.06 105.19 108.95 1t3y n GLY 67 Ca -0.11 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.51 1t3y n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t3y s ASP 68 N -4.00 -0.62 1.58 1.61 2.15 -1.26 -4.60 116.67 111.53 1t3y s ASP 68 Ca 0.00 0.99 0.00 0.00 0.43 0.00 0.00 52.55 53.97 1t3y s ASP 68 Cb 0.00 0.93 0.00 0.00 -0.30 0.00 0.00 42.92 43.55 1t3y s ASP 68 CO 0.00 -0.35 0.00 0.00 -0.17 0.00 0.00 175.17 174.65 1t3y n ALA 69 N 1.82 0.00 -0.15 3.66 0.00 -1.26 -1.60 120.51 122.98 1t3y n ALA 69 Ca -0.15 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.46 1t3y n ALA 69 Cb 0.56 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.54 1t3y n ALA 69 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1t3y h MET 70 N 0.00 0.36 -0.15 0.00 1.85 -2.01 -1.45 114.93 113.52 1t3y h MET 70 Ca 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1t3y h MET 70 Cb 0.00 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 31.95 1t3y h MET 70 CO 0.00 0.24 0.00 -1.13 -0.40 0.00 0.00 176.91 175.62 1t3y n SER 71 N -4.47 1.49 -4.72 1.39 3.41 -0.63 -4.91 113.62 105.19 1t3y n SER 71 Ca 0.14 -1.68 -0.42 0.00 -0.26 0.00 0.00 58.87 56.66 1t3y n SER 71 Cb 0.56 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1t3y n SER 71 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1t3y s LYS 72 N -1.81 4.25 0.01 4.33 2.20 -0.55 -4.14 119.74 124.03 1t3y s LYS 72 Ca 0.32 2.27 -0.28 0.00 -0.36 0.00 0.00 55.97 57.91 1t3y s LYS 72 Cb 0.17 -3.20 0.10 0.00 -1.51 0.00 0.00 37.83 33.39 1t3y s LYS 72 CO 0.26 -0.56 0.91 -0.98 -0.36 0.00 0.00 175.35 174.62 1t3y s ARG 73 N 1.18 0.86 0.12 4.03 1.70 -0.22 -4.92 118.95 121.70 1t3y s ARG 73 Ca 0.68 -0.35 -0.22 0.00 -0.47 0.00 0.00 55.73 55.37 1t3y s ARG 73 Cb -0.41 0.38 -0.07 0.00 -0.57 0.00 0.00 34.95 34.27 1t3y s ARG 73 CO 0.31 -0.38 0.68 -1.12 -1.08 0.00 0.00 175.30 173.71 1t3y s SER 74 N -2.54 7.24 -0.00 -2.89 0.01 -1.26 -1.00 113.70 113.25 1t3y s SER 74 Ca 0.06 1.47 0.06 0.00 1.31 0.00 0.00 55.95 58.84 1t3y s SER 74 Cb -0.01 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 1t3y s SER 74 CO -0.07 0.24 -0.18 -0.54 0.41 0.00 0.00 173.24 173.10 1t3y s LYS 75 N -1.14 1.39 -0.08 12.44 1.02 0.01 -4.95 119.74 128.44 1t3y s LYS 75 Ca 0.33 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.65 1t3y s LYS 75 Cb -0.21 -1.36 -0.03 0.00 -0.52 0.00 0.00 37.83 35.70 1t3y s LYS 75 CO 0.23 0.37 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.88 1t3y s PHE 76 N -0.49 2.89 0.05 3.18 0.40 -1.26 -0.88 117.98 121.88 1t3y s PHE 76 Ca 0.07 -0.07 0.09 0.00 -0.60 0.00 0.00 56.93 56.41 1t3y s PHE 76 Cb -0.07 -1.72 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 1t3y s PHE 76 CO -0.00 0.25 -0.26 0.00 0.70 0.00 0.00 175.22 175.91 1t3y s ALA 77 N -0.64 2.20 -0.23 5.36 0.00 0.05 -0.36 121.76 128.14 1t3y s ALA 77 Ca 0.09 -1.26 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 1t3y s ALA 77 Cb -0.11 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1t3y s ALA 77 CO 0.02 0.51 0.08 -1.17 0.00 0.00 0.00 175.76 175.20 1t3y s LEU 78 N -1.30 3.60 -0.16 0.00 2.96 -0.93 -1.41 118.68 121.44 1t3y s LEU 78 Ca 0.11 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1t3y s LEU 78 Cb -0.10 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.65 1t3y s LEU 78 CO 0.02 0.03 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.27 1t3y s ILE 79 N 1.22 2.30 -0.39 6.68 1.01 0.24 -0.85 121.20 131.42 1t3y s ILE 79 Ca 0.05 -0.88 -0.14 0.00 0.00 0.00 0.00 60.65 59.68 1t3y s ILE 79 Cb -0.14 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.38 1t3y s ILE 79 CO 0.04 0.53 0.27 -0.89 0.00 0.00 0.00 174.94 174.88 1t3y s THR 80 N 0.99 5.12 -0.21 2.92 2.01 -0.11 -0.18 115.64 126.19 1t3y s THR 80 Ca -0.02 -0.60 -0.13 0.00 0.31 0.00 0.00 61.69 61.25 1t3y s THR 80 Cb -0.15 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 1t3y s THR 80 CO -0.05 -0.22 0.27 0.86 -0.69 0.00 0.00 174.62 174.79 1t3y s TRP 81 N 1.66 3.37 -0.33 4.92 -0.11 -0.10 -1.11 118.94 127.25 1t3y s TRP 81 Ca 0.05 0.44 -0.01 0.00 1.22 0.00 0.00 56.10 57.80 1t3y s TRP 81 Cb -0.19 -2.37 0.11 0.00 -1.50 0.00 0.00 33.47 29.52 1t3y s TRP 81 CO 0.09 0.08 0.14 0.42 -4.62 0.00 0.00 176.95 173.07 1t3y s ILE 82 N 1.01 0.64 0.59 5.86 1.01 -0.39 -1.06 121.20 128.86 1t3y s ILE 82 Ca 0.13 -1.48 -0.18 0.00 0.00 0.00 0.00 60.65 59.12 1t3y s ILE 82 Cb -0.14 -1.48 -0.06 0.00 0.01 0.00 0.00 42.46 40.79 1t3y s ILE 82 CO 0.05 -0.77 0.86 0.61 0.00 0.00 0.00 174.94 175.69 1t3y n GLY 83 N 4.61 -0.61 0.30 6.18 0.00 -0.37 -4.31 105.19 111.00 1t3y n GLY 83 Ca 0.01 -0.14 0.20 0.00 0.00 0.00 0.00 46.02 46.08 1t3y n GLY 83 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1t3y h GLU 84 N 0.42 0.00 -0.00 1.61 5.08 -1.69 -1.64 114.58 118.36 1t3y h GLU 84 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1t3y h GLU 84 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1t3y h GLU 84 CO 0.50 0.00 -0.16 0.09 -1.00 0.00 0.00 179.01 178.43 1t3y n ASN 85 N -2.96 0.46 -4.75 1.42 3.02 -0.33 -4.87 115.26 107.26 1t3y n ASN 85 Ca -0.02 -0.41 -0.41 0.00 -0.03 0.00 0.00 54.58 53.71 1t3y n ASN 85 Cb 0.12 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 1t3y n ASN 85 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1t3y s VAL 86 N -2.62 3.34 0.81 2.41 1.01 -0.62 -4.98 120.40 119.74 1t3y s VAL 86 Ca 0.24 1.25 -0.12 0.00 0.00 0.00 0.00 61.98 63.34 1t3y s VAL 86 Cb 0.19 -3.79 0.09 0.00 0.00 0.00 0.00 36.38 32.87 1t3y s VAL 86 CO 0.52 0.26 1.17 -0.94 0.00 0.00 0.00 175.10 176.11 1t3y s SER 87 N -0.37 3.69 0.27 3.32 1.04 -1.26 -4.74 113.70 115.65 1t3y s SER 87 Ca 0.49 2.24 -0.03 0.00 0.48 0.00 0.00 55.95 59.13 1t3y s SER 87 Cb -0.34 -2.57 0.39 0.00 0.10 0.00 0.00 66.02 63.60 1t3y s SER 87 CO 0.42 -2.60 1.92 1.23 0.98 0.00 0.00 173.24 175.18 1t3y h GLY 88 N -1.04 1.40 0.92 7.32 0.00 -1.97 0.14 103.07 109.84 1t3y h GLY 88 Ca -0.45 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.39 1t3y h GLY 88 CO 0.46 0.40 0.12 -2.00 0.00 0.00 0.00 176.54 175.52 1t3y h LEU 89 N 1.20 0.42 -0.68 3.11 5.85 -2.00 -1.50 115.31 121.71 1t3y h LEU 89 Ca 0.39 -0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 1t3y h LEU 89 Cb 0.03 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1t3y h LEU 89 CO -0.12 0.47 -0.65 1.56 -0.34 0.00 0.00 178.44 179.35 1t3y h GLN 90 N 0.34 0.04 -0.50 1.25 1.08 -1.82 -1.79 115.11 113.71 1t3y h GLN 90 Ca 0.10 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1t3y h GLN 90 Cb 0.18 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1t3y h GLN 90 CO -0.01 0.68 0.25 -0.09 -0.95 0.00 0.00 178.83 178.71 1t3y h ARG 91 N 0.03 0.71 -0.54 1.46 2.43 -0.58 -1.02 114.38 116.88 1t3y h ARG 91 Ca -0.01 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 58.97 1t3y h ARG 91 Cb 1.16 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 1t3y h ARG 91 CO 0.09 0.58 -0.03 0.00 -1.51 0.00 0.00 179.97 179.10 1t3y h ALA 92 N 1.09 0.73 -0.60 2.80 0.00 -1.11 -2.06 119.26 120.11 1t3y h ALA 92 Ca 0.17 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1t3y h ALA 92 Cb 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1t3y h ALA 92 CO -0.02 0.58 0.13 0.87 0.00 0.00 0.00 179.25 180.81 1t3y h LYS 93 N 0.85 0.94 -0.38 0.00 1.57 -1.10 -0.20 116.57 118.25 1t3y h LYS 93 Ca 0.15 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1t3y h LYS 93 Cb 0.58 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1t3y h LYS 93 CO 0.03 0.84 0.10 1.15 -0.57 0.00 0.00 179.45 181.01 1t3y h THR 94 N 0.90 1.22 -0.02 -0.16 2.02 -0.99 -0.17 112.91 115.71 1t3y h THR 94 Ca 0.19 -0.75 -0.10 0.00 0.77 0.00 0.00 66.41 66.52 1t3y h THR 94 Cb 0.34 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1t3y h THR 94 CO 0.00 0.26 -0.46 1.23 0.37 0.00 0.00 175.52 176.92 1t3y h GLY 95 N 0.46 0.06 0.95 2.16 0.00 -0.88 -1.88 103.07 103.94 1t3y h GLY 95 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1t3y h GLY 95 CO 0.00 0.05 0.15 -0.84 0.00 0.00 0.00 176.54 175.91 1t3y h THR 96 N 0.05 1.21 0.00 4.70 2.02 -0.82 -3.24 112.91 116.83 1t3y h THR 96 Ca -0.00 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1t3y h THR 96 Cb 0.83 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1t3y h THR 96 CO 0.06 0.24 0.00 0.44 0.37 0.00 0.00 175.52 176.63 1t3y h ASP 97 N 0.53 0.00 0.41 4.18 3.32 -0.48 -2.20 116.42 122.18 1t3y h ASP 97 Ca 0.14 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1t3y h ASP 97 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1t3y h ASP 97 CO -0.01 0.00 -0.03 0.07 -1.72 0.00 0.00 179.24 177.55 1t3y h LYS 98 N 0.00 0.00 -0.55 3.56 2.10 -1.38 -0.57 116.57 119.73 1t3y h LYS 98 Ca 0.00 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.68 1t3y h LYS 98 Cb 0.43 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.72 1t3y h LYS 98 CO 0.00 0.03 0.33 1.15 -2.00 0.00 0.00 179.45 178.96 1t3y h THR 99 N 0.00 1.05 -0.57 0.07 2.02 -1.59 -0.57 112.91 113.31 1t3y h THR 99 Ca -0.00 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 1t3y h THR 99 Cb 0.24 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1t3y h THR 99 CO 0.00 0.12 0.11 0.25 0.37 0.00 0.00 175.52 176.37 1t3y h LEU 100 N 0.65 0.89 -0.89 2.58 5.85 -1.31 -2.67 115.31 120.41 1t3y h LEU 100 Ca 0.22 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1t3y h LEU 100 Cb 0.03 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.75 1t3y h LEU 100 CO -0.10 0.91 0.53 0.58 -0.34 0.00 0.00 178.44 180.02 1t3y h VAL 101 N 0.83 0.92 0.00 1.05 2.07 -1.03 -0.96 116.25 119.13 1t3y h VAL 101 Ca 0.17 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1t3y h VAL 101 Cb 0.39 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1t3y h VAL 101 CO 0.01 0.16 0.00 0.29 0.02 0.00 0.00 177.57 178.05 1t3y n LYS 102 N -4.69 0.35 0.25 1.57 5.02 -0.26 -0.82 118.16 119.59 1t3y n LYS 102 Ca 0.15 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.63 1t3y n LYS 102 Cb 0.30 -1.50 0.64 0.00 -0.02 0.00 0.00 35.03 34.45 1t3y n LYS 102 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1t3y h GLU 103 N 0.00 0.00 0.00 1.97 5.08 -1.03 -3.25 114.58 117.34 1t3y h GLU 103 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1t3y h GLU 103 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1t3y h GLU 103 CO 0.00 0.16 -1.86 0.28 -1.00 0.00 0.00 179.01 176.59 1t3y n VAL 104 N -3.70 1.52 -2.35 3.13 0.31 -0.36 -4.74 118.33 112.14 1t3y n VAL 104 Ca -0.02 -0.16 -0.43 0.00 -0.01 0.00 0.00 64.34 63.73 1t3y n VAL 104 Cb 0.28 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.13 1t3y n VAL 104 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1t3y n VAL 105 N -4.35 4.04 0.09 2.52 0.31 0.00 -4.74 118.33 116.20 1t3y n VAL 105 Ca -0.37 -4.07 -0.16 0.00 -0.01 0.00 0.00 64.34 59.73 1t3y n VAL 105 Cb 0.72 -2.44 -0.14 0.00 -0.91 0.00 0.00 33.84 31.07 1t3y n VAL 105 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1t3y h GLN 106 N 6.40 0.26 -5.14 5.55 4.20 -1.85 -3.39 115.11 121.13 1t3y h GLN 106 Ca 0.43 -0.44 -0.66 0.00 0.06 0.00 0.00 58.65 58.04 1t3y h GLN 106 Cb 0.72 0.16 -0.29 0.00 0.30 0.00 0.00 27.48 28.37 1t3y h GLN 106 CO 1.59 1.17 -0.78 -0.80 -0.67 0.00 0.00 178.83 179.33 1t3y s ASN 107 N -7.06 3.88 0.01 1.46 0.01 -1.26 -5.07 114.94 106.90 1t3y s ASN 107 Ca -0.06 -0.43 -0.25 0.00 -0.71 0.00 0.00 52.86 51.40 1t3y s ASN 107 Cb 0.07 -1.62 0.06 0.00 0.41 0.00 0.00 41.25 40.17 1t3y s ASN 107 CO 0.87 0.06 0.57 0.72 -1.51 0.00 0.00 177.10 177.81 1t3y s PHE 108 N 0.98 -0.51 0.15 2.20 -0.12 -1.26 -4.94 117.98 114.48 1t3y s PHE 108 Ca -0.02 0.71 -0.10 0.00 -0.05 0.00 0.00 56.93 57.48 1t3y s PHE 108 Cb -0.15 0.37 -0.02 0.00 -0.63 0.00 0.00 43.02 42.59 1t3y s PHE 108 CO -0.02 -0.63 1.49 0.00 -0.05 0.00 0.00 175.22 176.02 1t3y h ALA 109 N 2.90 0.60 -2.07 1.99 0.00 -1.08 -3.47 119.26 118.14 1t3y h ALA 109 Ca -0.29 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.11 1t3y h ALA 109 Cb 1.19 -0.13 -0.20 0.00 0.00 0.00 0.00 17.79 18.65 1t3y h ALA 109 CO 0.40 0.68 0.12 0.21 0.00 0.00 0.00 179.25 180.66 1t3y s LYS 110 N -4.43 0.95 0.18 0.00 2.20 -1.23 -5.06 119.74 112.35 1t3y s LYS 110 Ca -0.11 0.44 0.11 0.00 -0.36 0.00 0.00 55.97 56.05 1t3y s LYS 110 Cb 0.11 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.84 1t3y s LYS 110 CO 0.88 -0.24 -0.21 -1.83 -0.36 0.00 0.00 175.35 173.58 1t3y s GLU 111 N -0.71 1.62 0.06 4.03 -1.05 -1.26 -2.18 118.70 119.21 1t3y s GLU 111 Ca -0.08 -1.45 0.04 0.00 -0.15 0.00 0.00 54.97 53.33 1t3y s GLU 111 Cb -0.02 -1.92 -0.03 0.00 -0.44 0.00 0.00 34.13 31.73 1t3y s GLU 111 CO 0.07 0.41 -0.12 -0.06 0.95 0.00 0.00 175.26 176.51 1t3y s PHE 112 N -1.62 1.05 -0.21 4.83 0.40 -0.03 -4.97 117.98 117.43 1t3y s PHE 112 Ca 0.21 -0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 1t3y s PHE 112 Cb -0.08 -0.60 0.05 0.00 0.51 0.00 0.00 43.02 42.90 1t3y s PHE 112 CO 0.11 0.01 -0.08 0.08 0.70 0.00 0.00 175.22 176.04 1t3y s VAL 113 N -1.26 1.55 -0.05 -0.44 1.01 -1.26 -0.94 120.40 119.01 1t3y s VAL 113 Ca -0.04 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1t3y s VAL 113 Cb -0.10 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1t3y s VAL 113 CO 0.02 0.05 -0.14 -0.63 0.00 0.00 0.00 175.10 174.40 1t3y s ILE 114 N 1.41 1.21 0.00 2.22 1.01 -0.26 -4.99 121.20 121.80 1t3y s ILE 114 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1t3y s ILE 114 Cb -0.17 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.23 1t3y s ILE 114 CO -0.07 0.36 0.15 -1.54 0.00 0.00 0.00 174.94 173.84 1t3y n SER 115 N 3.49 0.30 -4.42 3.58 3.41 -1.26 -1.26 113.62 117.46 1t3y n SER 115 Ca -0.20 -0.62 -0.39 0.00 -0.26 0.00 0.00 58.87 57.39 1t3y n SER 115 Cb 0.53 0.46 -0.11 0.00 -0.26 0.00 0.00 64.21 64.83 1t3y n SER 115 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1t3y s ASP 116 N -0.46 5.66 0.51 4.04 -1.08 -1.26 -4.22 116.67 119.85 1t3y s ASP 116 Ca 0.00 -0.70 0.32 0.00 -0.52 0.00 0.00 52.55 51.65 1t3y s ASP 116 Cb 0.00 -2.02 1.45 0.00 -1.46 0.00 0.00 42.92 40.89 1t3y s ASP 116 CO 0.00 -0.27 1.80 -0.09 0.52 0.00 0.00 175.17 177.13 1t3y h ARG 117 N 8.40 0.08 -0.18 4.34 2.43 -1.94 -1.28 114.38 126.24 1t3y h ARG 117 Ca -0.30 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1t3y h ARG 117 Cb 1.13 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1t3y h ARG 117 CO 0.64 0.05 0.11 0.87 -1.51 0.00 0.00 179.97 180.14 1t3y h LYS 118 N 0.08 0.23 -0.00 0.20 1.57 -2.00 -1.56 116.57 115.09 1t3y h LYS 118 Ca 0.56 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1t3y h LYS 118 Cb 2.06 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.32 1t3y h LYS 118 CO -0.07 0.16 -0.02 0.39 -0.57 0.00 0.00 179.45 179.33 1t3y n GLU 119 N -4.51 0.78 0.08 3.15 1.02 -0.48 -2.79 120.64 117.89 1t3y n GLU 119 Ca -0.00 -0.10 0.13 0.00 -0.02 0.00 0.00 57.16 57.16 1t3y n GLU 119 Cb 0.08 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 30.36 1t3y n GLU 119 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1t3y n LEU 120 N -1.02 0.71 -4.77 -4.62 4.77 -0.59 -4.42 117.00 107.06 1t3y n LEU 120 Ca 0.18 0.46 -0.41 0.00 -0.03 0.00 0.00 56.01 56.22 1t3y n LEU 120 Cb 0.20 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1t3y n LEU 120 CO 0.21 -0.12 1.11 -1.61 -1.33 0.00 0.00 177.39 175.65 1t3y s GLU 121 N -3.11 3.94 0.24 3.23 0.41 -1.12 -4.80 118.70 117.49 1t3y s GLU 121 Ca 0.10 2.52 -0.05 0.00 -0.41 0.00 0.00 54.97 57.13 1t3y s GLU 121 Cb 0.13 -2.84 0.41 0.00 -1.78 0.00 0.00 34.13 30.05 1t3y s GLU 121 CO 0.63 -0.65 1.77 1.49 -0.49 0.00 0.00 175.26 178.01 1t3y h GLU 122 N 2.73 0.60 -0.48 1.61 4.81 -1.92 -0.72 114.58 121.20 1t3y h GLU 122 Ca -0.51 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.65 1t3y h GLU 122 Cb 1.25 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1t3y h GLU 122 CO 0.63 0.39 0.16 -0.44 -0.73 0.00 0.00 179.01 179.03 1t3y h ASP 123 N 0.61 0.64 0.15 1.04 3.32 -1.97 0.21 116.42 120.43 1t3y h ASP 123 Ca 0.39 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1t3y h ASP 123 Cb 0.48 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1t3y h ASP 123 CO -0.31 0.60 -0.07 0.15 -1.72 0.00 0.00 179.24 177.89 1t3y h PHE 124 N 0.69 -0.19 -0.67 4.55 3.57 -1.50 -1.21 116.94 122.19 1t3y h PHE 124 Ca 0.16 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1t3y h PHE 124 Cb 0.19 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 1t3y h PHE 124 CO 0.01 0.18 0.37 0.82 -2.23 0.00 0.00 178.31 177.47 1t3y h ILE 125 N -0.60 0.96 -0.47 1.41 1.08 -1.00 -1.12 117.51 117.76 1t3y h ILE 125 Ca -0.02 -0.23 -0.09 0.00 -0.39 0.00 0.00 64.86 64.12 1t3y h ILE 125 Cb 0.46 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 1t3y h ILE 125 CO 0.03 0.12 -0.07 0.11 -0.69 0.00 0.00 178.15 177.65 1t3y h LYS 126 N 0.68 0.84 -0.21 2.37 1.57 -0.56 -0.30 116.57 120.96 1t3y h LYS 126 Ca 0.30 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1t3y h LYS 126 Cb 0.20 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1t3y h LYS 126 CO -0.19 0.89 -0.13 0.66 -0.57 0.00 0.00 179.45 180.11 1t3y h SER 127 N 0.76 0.33 0.01 0.86 4.64 -0.56 -1.23 113.55 118.36 1t3y h SER 127 Ca 0.13 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.23 1t3y h SER 127 Cb 0.57 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1t3y h SER 127 CO 0.03 0.50 -0.50 -0.33 -0.87 0.00 0.00 176.83 175.66 1t3y h GLU 128 N 0.32 0.55 -0.41 4.77 4.39 -0.63 -1.91 114.58 121.66 1t3y h GLU 128 Ca 0.06 -0.32 -0.09 0.00 0.34 0.00 0.00 59.36 59.35 1t3y h GLU 128 Cb 0.44 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1t3y h GLU 128 CO 0.03 0.92 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.60 1t3y h LEU 129 N 0.44 0.74 -0.30 1.33 3.38 -0.63 -2.12 115.31 118.14 1t3y h LEU 129 Ca 0.02 -0.22 -0.19 0.00 0.09 0.00 0.00 57.88 57.58 1t3y h LEU 129 Cb 1.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1t3y h LEU 129 CO 0.09 0.88 -0.59 0.50 0.09 0.00 0.00 178.44 179.42 1t3y h LYS 130 N 0.67 0.83 -0.64 1.13 3.64 -0.98 -2.89 116.57 118.33 1t3y h LYS 130 Ca 0.11 -0.55 -0.03 0.00 -1.27 0.00 0.00 60.65 58.91 1t3y h LYS 130 Cb 0.60 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1t3y h LYS 130 CO 0.04 1.18 0.27 0.87 -2.27 0.00 0.00 179.45 179.54 1t3y h LYS 131 N 0.62 0.92 0.00 1.90 1.57 -1.31 -3.52 116.57 116.76 1t3y h LYS 131 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1t3y h LYS 131 Cb 1.20 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1t3y h LYS 131 CO 0.13 0.74 0.00 0.00 -0.57 0.00 0.00 179.45 179.74