#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jut s LYS 2 N 0.00 0.83 0.74 1.97 1.02 -1.26 -5.14 119.74 117.91 3jut s LYS 2 Ca 0.00 -0.78 -0.11 0.00 0.02 0.00 0.00 55.97 55.10 3jut s LYS 2 Cb 0.00 -0.81 0.04 0.00 -0.52 0.00 0.00 37.83 36.53 3jut s LYS 2 CO 0.00 0.19 1.08 -1.25 -0.92 0.00 0.00 175.35 174.46 3jut s PRO 3 N -1.28 2.47 0.12 -1.68 0.04 -1.26 -4.57 135.00 128.84 3jut s PRO 3 Ca -0.01 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.21 3jut s PRO 3 Cb -0.08 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3jut s PRO 3 CO 0.01 -1.47 -0.09 0.15 0.04 0.00 0.00 177.00 175.64 3jut s LYS 4 N -4.85 0.93 0.11 4.56 1.02 0.11 -2.06 119.74 119.56 3jut s LYS 4 Ca 0.61 -1.34 -0.06 0.00 0.02 0.00 0.00 55.97 55.21 3jut s LYS 4 Cb -0.17 -0.46 -0.05 0.00 -0.52 0.00 0.00 37.83 36.63 3jut s LYS 4 CO 0.54 0.05 0.36 -0.51 -0.92 0.00 0.00 175.35 174.87 3jut s LEU 5 N -2.94 4.30 -0.32 3.17 1.43 -0.81 -0.92 118.68 122.59 3jut s LEU 5 Ca 0.12 0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 53.78 3jut s LEU 5 Cb 0.02 -3.15 0.04 0.00 0.03 0.00 0.00 46.19 43.13 3jut s LEU 5 CO -0.01 0.11 0.06 -0.76 0.23 0.00 0.00 176.35 175.98 3jut s LEU 6 N -2.38 4.10 -0.25 1.79 1.43 -1.26 -0.33 118.68 121.77 3jut s LEU 6 Ca 0.37 -1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.25 3jut s LEU 6 Cb -0.13 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3jut s LEU 6 CO 0.22 -0.29 0.12 -0.47 0.23 0.00 0.00 176.35 176.17 3jut s TYR 7 N 1.36 3.17 -0.31 0.29 5.04 -0.74 -0.18 117.35 125.98 3jut s TYR 7 Ca -0.02 -0.12 -0.14 0.00 -2.44 0.00 0.00 57.07 54.34 3jut s TYR 7 Cb -0.19 -2.28 -0.03 0.00 0.35 0.00 0.00 41.96 39.81 3jut s TYR 7 CO 0.01 -0.20 0.34 0.00 -1.34 0.00 0.00 175.55 174.36 3jut h SER 9 N 8.35 -0.52 -1.26 0.00 4.64 -1.82 -0.00 113.55 122.94 3jut h SER 9 Ca -0.31 0.26 -0.34 0.00 -0.47 0.00 0.00 61.79 60.93 3jut h SER 9 Cb 1.16 0.48 -0.02 0.00 -0.31 0.00 0.00 62.40 63.70 3jut h SER 9 CO 0.66 -0.31 1.01 0.21 -0.87 0.00 0.00 176.83 177.53 3jut s ASN 10 N -5.09 4.75 0.00 4.97 2.47 -1.25 -3.71 114.94 117.08 3jut s ASN 10 Ca -0.13 0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.37 3jut s ASN 10 Cb 0.27 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 3jut s ASN 10 CO 0.77 -2.90 0.00 0.61 -3.72 0.00 0.00 177.10 171.87 3jut n GLY 11 N 6.28 2.97 1.16 1.21 0.00 -1.26 -4.39 105.19 111.16 3jut n GLY 11 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3jut n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jut n GLY 12 N 0.00 0.95 3.54 -0.02 0.00 -0.06 -4.99 105.19 104.60 3jut n GLY 12 Ca 0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 3jut n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jut s HIS 13 N -2.66 2.83 0.22 1.61 3.76 -0.94 -4.46 115.29 115.64 3jut s HIS 13 Ca 0.00 -0.06 -0.24 0.00 -0.15 0.00 0.00 55.06 54.60 3jut s HIS 13 Cb 0.00 -1.66 -0.08 0.00 1.11 0.00 0.00 32.58 31.95 3jut s HIS 13 CO 0.00 0.28 0.81 -0.06 -0.85 0.00 0.00 174.74 174.91 3jut s PHE 14 N -0.80 3.81 0.26 1.40 0.08 0.69 -0.42 117.98 122.99 3jut s PHE 14 Ca 0.13 1.62 -0.30 0.00 0.12 0.00 0.00 56.93 58.50 3jut s PHE 14 Cb -0.11 -2.77 -0.10 0.00 -0.57 0.00 0.00 43.02 39.47 3jut s PHE 14 CO 0.02 0.41 1.42 -1.17 -0.10 0.00 0.00 175.22 175.79 3jut s LEU 15 N -1.53 4.39 -0.03 -0.37 2.96 0.75 -1.47 118.68 123.38 3jut s LEU 15 Ca 0.41 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.97 3jut s LEU 15 Cb -0.21 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 42.88 3jut s LEU 15 CO 0.25 -0.67 0.01 -0.60 -1.32 0.00 0.00 176.35 174.01 3jut s ARG 16 N -0.52 0.25 -0.34 1.98 3.52 -0.41 -4.37 118.95 119.05 3jut s ARG 16 Ca 0.58 0.10 -0.09 0.00 -0.13 0.00 0.00 55.73 56.19 3jut s ARG 16 Cb -0.41 -0.46 0.02 0.00 -1.56 0.00 0.00 34.95 32.54 3jut s ARG 16 CO 0.44 -0.15 0.16 0.42 -0.81 0.00 0.00 175.30 175.36 3jut s ILE 17 N 1.09 4.36 0.59 4.11 1.01 -0.97 -2.34 121.20 129.05 3jut s ILE 17 Ca -0.09 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.63 3jut s ILE 17 Cb -0.13 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 3jut s ILE 17 CO -0.02 -0.11 1.03 -0.76 0.00 0.00 0.00 174.94 175.08 3jut s LEU 18 N 1.53 3.44 0.38 2.97 1.43 0.01 -4.78 118.68 123.66 3jut s LEU 18 Ca 0.02 1.65 0.13 0.00 -1.03 0.00 0.00 54.13 54.91 3jut s LEU 18 Cb -0.18 -4.51 0.96 0.00 0.03 0.00 0.00 46.19 42.48 3jut s LEU 18 CO 0.05 -0.99 1.83 -0.65 0.23 0.00 0.00 176.35 176.82 3jut h PRO 19 N 0.28 0.53 0.00 1.29 0.11 -1.99 -1.11 132.00 131.11 3jut h PRO 19 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jut h PRO 19 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3jut h PRO 19 CO 0.59 0.35 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 3jut n ASP 20 N -4.59 0.00 0.00 -2.05 5.68 -1.26 -4.89 116.55 109.44 3jut n ASP 20 Ca 0.21 -0.90 0.00 0.00 -0.50 0.00 0.00 54.79 53.60 3jut n ASP 20 Cb 0.65 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 3jut n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jut n GLY 21 N 1.00 0.74 3.77 6.12 0.00 -0.42 -4.99 105.19 111.41 3jut n GLY 21 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 3jut n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jut s THR 22 N -2.37 2.88 -0.06 2.61 2.01 -1.26 -1.30 115.64 118.16 3jut s THR 22 Ca 0.00 0.61 0.01 0.00 0.31 0.00 0.00 61.69 62.62 3jut s THR 22 Cb 0.00 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.25 3jut s THR 22 CO 0.00 -0.06 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.11 3jut s VAL 23 N -1.58 0.78 0.00 3.82 1.01 -1.26 -0.81 120.40 122.36 3jut s VAL 23 Ca 0.70 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3jut s VAL 23 Cb -0.29 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.32 3jut s VAL 23 CO 0.34 0.29 0.00 -0.90 0.00 0.00 0.00 175.10 174.83 3jut n ASP 24 N 4.13 0.00 -4.20 3.32 5.75 -0.99 -4.21 116.55 120.36 3jut n ASP 24 Ca -0.22 -0.70 -0.21 0.00 -0.01 0.00 0.00 54.79 53.65 3jut n ASP 24 Cb 0.51 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.47 3jut n ASP 24 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3jut s GLY 25 N -0.70 0.97 0.06 6.12 0.00 0.18 -1.29 107.32 112.66 3jut s GLY 25 Ca 0.00 -1.01 0.08 0.00 0.00 0.00 0.00 44.72 43.78 3jut s GLY 25 CO 0.00 -1.00 -0.21 -1.08 0.00 0.00 0.00 173.10 170.81 3jut s THR 26 N -1.05 1.68 -1.49 0.90 -1.32 -0.54 -4.79 115.64 109.03 3jut s THR 26 Ca 0.02 -1.29 0.28 0.00 -1.21 0.00 0.00 61.69 59.49 3jut s THR 26 Cb -0.09 -1.48 0.52 0.00 -1.51 0.00 0.00 72.50 69.94 3jut s THR 26 CO 0.02 0.13 1.96 0.54 -2.21 0.00 0.00 174.62 175.06 3jut n ARG 27 N 1.64 0.44 -2.73 7.08 1.74 -1.26 -0.22 116.66 123.35 3jut n ARG 27 Ca -0.18 0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.50 3jut n ARG 27 Cb 0.53 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 3jut n ARG 27 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3jut s ASP 28 N -2.51 6.39 0.44 0.55 2.15 -1.26 -4.90 116.67 117.53 3jut s ASP 28 Ca 0.28 -0.14 0.29 0.00 0.43 0.00 0.00 52.55 53.40 3jut s ASP 28 Cb 0.19 -2.49 1.03 0.00 -0.30 0.00 0.00 42.92 41.35 3jut s ASP 28 CO 0.41 -1.33 1.84 -0.09 -0.17 0.00 0.00 175.17 175.82 3jut h ARG 29 N 9.41 0.00 0.00 4.34 2.43 -2.01 -2.91 114.38 125.64 3jut h ARG 29 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3jut h ARG 29 Cb 1.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3jut h ARG 29 CO 1.13 0.00 0.00 0.43 -1.51 0.00 0.00 179.97 180.02 3jut n SER 30 N -2.86 0.00 -4.76 -3.80 7.64 -1.26 -4.90 113.62 103.68 3jut n SER 30 Ca 0.02 0.45 -0.41 0.00 1.01 0.00 0.00 58.87 59.94 3jut n SER 30 Cb 0.35 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 3jut n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3jut s ASP 31 N -2.95 7.04 0.04 6.43 2.15 -1.10 -4.97 116.67 123.31 3jut s ASP 31 Ca 0.09 2.42 0.26 0.00 0.43 0.00 0.00 52.55 55.76 3jut s ASP 31 Cb 0.11 -2.63 0.72 0.00 -0.30 0.00 0.00 42.92 40.83 3jut s ASP 31 CO 0.31 -0.34 1.58 0.00 -0.17 0.00 0.00 175.17 176.55 3jut n GLN 32 N 1.36 0.08 -0.30 4.34 1.13 -1.26 -3.79 117.38 118.93 3jut n GLN 32 Ca 0.01 0.04 0.10 0.00 -1.94 0.00 0.00 57.00 55.20 3jut n GLN 32 Cb 0.43 -1.56 0.27 0.00 0.11 0.00 0.00 30.24 29.49 3jut n GLN 32 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3jut n HIS 33 N -1.69 0.79 0.69 1.08 8.25 -1.26 -4.17 115.22 118.92 3jut n HIS 33 Ca 0.06 -0.47 0.11 0.00 -0.26 0.00 0.00 57.72 57.15 3jut n HIS 33 Cb 0.37 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.50 3jut n HIS 33 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3jut n ILE 34 N 1.32 0.11 -2.57 1.59 -5.35 -1.25 -2.28 119.36 110.93 3jut n ILE 34 Ca 0.20 -0.17 -0.43 0.00 -0.27 0.00 0.00 62.75 62.08 3jut n ILE 34 Cb 0.56 0.34 -0.02 0.00 -1.74 0.00 0.00 39.64 38.78 3jut n ILE 34 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3jut s GLN 35 N -3.14 3.95 -0.04 6.28 1.11 -1.26 -4.43 119.66 122.13 3jut s GLN 35 Ca 0.05 1.01 0.07 0.00 0.01 0.00 0.00 55.36 56.50 3jut s GLN 35 Cb 0.15 -3.81 -0.02 0.00 -1.01 0.00 0.00 33.01 28.32 3jut s GLN 35 CO 0.80 -1.06 -0.25 -0.51 0.01 0.00 0.00 175.29 174.28 3jut s LEU 36 N 4.02 2.11 -0.27 2.90 1.43 -0.10 -2.13 118.68 126.65 3jut s LEU 36 Ca 0.49 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.99 3jut s LEU 36 Cb -0.12 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 3jut s LEU 36 CO 0.21 0.28 0.28 -1.58 0.23 0.00 0.00 176.35 175.77 3jut s GLN 37 N -0.39 4.00 -0.12 1.70 2.00 0.17 0.09 119.66 127.11 3jut s GLN 37 Ca 0.03 -0.12 -0.16 0.00 -2.00 0.00 0.00 55.36 53.11 3jut s GLN 37 Cb -0.12 -3.65 -0.05 0.00 0.80 0.00 0.00 33.01 30.00 3jut s GLN 37 CO 0.01 -0.21 0.41 -0.51 -0.50 0.00 0.00 175.29 174.49 3jut s LEU 38 N 1.85 4.29 0.06 3.68 1.02 -1.26 -1.16 118.68 127.15 3jut s LEU 38 Ca 0.11 0.73 0.01 0.00 0.02 0.00 0.00 54.13 55.01 3jut s LEU 38 Cb -0.16 -2.57 -0.03 0.00 0.02 0.00 0.00 46.19 43.45 3jut s LEU 38 CO 0.10 0.08 -0.06 -0.94 0.02 0.00 0.00 176.35 175.55 3jut s SER 39 N 0.34 0.85 -0.27 2.29 1.04 -0.80 -4.95 113.70 112.20 3jut s SER 39 Ca 0.22 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 55.82 3jut s SER 39 Cb -0.15 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.07 3jut s SER 39 CO 0.09 -0.37 0.03 0.00 0.98 0.00 0.00 173.24 173.96 3jut s ALA 40 N -2.63 2.95 0.00 5.32 0.00 -1.26 -0.53 121.76 125.61 3jut s ALA 40 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3jut s ALA 40 Cb -0.01 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.13 3jut s ALA 40 CO -0.03 -0.81 0.39 -1.91 0.00 0.00 0.00 175.76 173.40 3jut n GLU 41 N 4.81 0.00 -3.73 0.00 2.13 -0.66 -4.94 120.64 118.25 3jut n GLU 41 Ca -0.16 0.20 -0.25 0.00 0.66 0.00 0.00 57.16 57.62 3jut n GLU 41 Cb 0.48 -0.98 0.01 0.00 0.27 0.00 0.00 31.44 31.22 3jut n GLU 41 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3jut s SER 42 N -1.91 4.71 0.00 4.31 0.01 -1.26 -5.03 113.70 114.53 3jut s SER 42 Ca 0.00 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.08 3jut s SER 42 Cb 0.00 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.64 3jut s SER 42 CO 0.00 -1.16 0.62 0.52 0.41 0.00 0.00 173.24 173.63 3jut n VAL 43 N -1.86 0.00 0.84 3.43 0.31 -1.26 -2.36 118.33 117.43 3jut n VAL 43 Ca 0.02 1.12 0.01 0.00 -0.01 0.00 0.00 64.34 65.48 3jut n VAL 43 Cb 0.64 -1.62 0.03 0.00 -0.91 0.00 0.00 33.84 31.98 3jut n VAL 43 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jut n GLY 44 N -1.00 1.62 3.15 2.92 0.00 -1.26 -4.81 105.19 105.81 3jut n GLY 44 Ca 0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3jut n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jut s GLU 45 N -1.15 2.95 0.14 1.61 2.02 -0.99 -0.02 118.70 123.25 3jut s GLU 45 Ca 0.05 -0.82 0.08 0.00 0.02 0.00 0.00 54.97 54.29 3jut s GLU 45 Cb 0.04 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 3jut s GLU 45 CO 0.01 -0.05 -0.17 0.14 0.02 0.00 0.00 175.26 175.21 3jut s VAL 46 N 0.92 1.63 -0.04 2.63 -7.23 0.17 -1.66 120.40 116.82 3jut s VAL 46 Ca -0.05 -1.78 -0.13 0.00 -1.81 0.00 0.00 61.98 58.22 3jut s VAL 46 Cb -0.15 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 3jut s VAL 46 CO -0.04 -0.30 0.34 -0.31 -0.31 0.00 0.00 175.10 174.48 3jut s TYR 47 N -1.91 3.69 -0.28 2.82 2.02 0.31 -1.38 117.35 122.63 3jut s TYR 47 Ca 0.12 0.87 -0.02 0.00 -0.37 0.00 0.00 57.07 57.67 3jut s TYR 47 Cb -0.06 -2.21 0.04 0.00 -0.40 0.00 0.00 41.96 39.32 3jut s TYR 47 CO 0.05 0.65 -0.03 0.42 -1.57 0.00 0.00 175.55 175.07 3jut s ILE 48 N -0.98 2.93 -0.15 2.71 1.01 -1.26 -1.91 121.20 123.54 3jut s ILE 48 Ca 0.21 -1.21 -0.00 0.00 0.00 0.00 0.00 60.65 59.65 3jut s ILE 48 Cb -0.15 -2.60 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 3jut s ILE 48 CO 0.11 0.04 -0.14 -0.75 0.00 0.00 0.00 174.94 174.19 3jut s LYS 49 N 1.29 3.26 0.18 2.79 2.20 -0.31 0.09 119.74 129.24 3jut s LYS 49 Ca -0.03 -0.73 -0.31 0.00 -0.36 0.00 0.00 55.97 54.54 3jut s LYS 49 Cb -0.18 -2.65 -0.09 0.00 -1.51 0.00 0.00 37.83 33.40 3jut s LYS 49 CO -0.03 0.04 1.42 0.45 -0.36 0.00 0.00 175.35 176.88 3jut s SER 50 N 0.76 6.74 0.16 1.43 0.15 0.12 0.42 113.70 123.47 3jut s SER 50 Ca -0.06 2.50 0.21 0.00 0.70 0.00 0.00 55.95 59.31 3jut s SER 50 Cb -0.15 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.50 3jut s SER 50 CO 0.01 -0.67 0.96 0.35 1.20 0.00 0.00 173.24 175.08 3jut n THR 51 N 3.18 0.73 0.08 6.45 -2.24 -0.90 -1.77 114.28 119.81 3jut n THR 51 Ca 0.09 -0.58 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 3jut n THR 51 Cb 0.41 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 3jut n THR 51 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3jut h GLU 52 N 0.00 0.31 0.00 -0.78 4.57 -1.81 -3.40 114.58 113.48 3jut h GLU 52 Ca -0.04 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 3jut h GLU 52 Cb 1.15 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3jut h GLU 52 CO 0.01 1.04 -0.30 0.25 -1.18 0.00 0.00 179.01 178.83 3jut n THR 53 N -3.70 0.00 -0.89 0.32 -2.24 -1.26 -5.03 114.28 101.48 3jut n THR 53 Ca -0.05 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3jut n THR 53 Cb 0.82 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 3jut n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jut n GLY 54 N 1.26 0.50 3.79 3.38 0.00 -0.73 -5.03 105.19 108.36 3jut n GLY 54 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3jut n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jut s GLN 55 N -0.53 4.42 -0.13 1.61 -0.21 -1.25 -4.76 119.66 118.81 3jut s GLN 55 Ca 0.00 1.32 -0.11 0.00 0.02 0.00 0.00 55.36 56.59 3jut s GLN 55 Cb 0.00 -2.62 -0.05 0.00 1.00 0.00 0.00 33.01 31.35 3jut s GLN 55 CO 0.00 0.13 0.23 0.71 -2.12 0.00 0.00 175.29 174.24 3jut s TYR 56 N -1.74 3.54 0.22 0.91 1.51 0.11 -0.71 117.35 121.20 3jut s TYR 56 Ca 0.54 0.59 -0.32 0.00 -1.01 0.00 0.00 57.07 56.87 3jut s TYR 56 Cb -0.17 -2.17 -0.12 0.00 -0.11 0.00 0.00 41.96 39.38 3jut s TYR 56 CO 0.22 0.47 1.68 -0.11 -1.11 0.00 0.00 175.55 176.70 3jut n LEU 57 N 2.78 4.00 -4.16 -1.29 7.94 0.11 -0.61 117.00 125.78 3jut n LEU 57 Ca -0.16 1.08 -0.10 0.00 -1.11 0.00 0.00 56.01 55.73 3jut n LEU 57 Cb 0.53 -1.57 -0.10 0.00 0.53 0.00 0.00 43.42 42.81 3jut n LEU 57 CO 0.36 0.13 -0.33 0.00 -1.11 0.00 0.00 177.39 176.44 3jut s ALA 58 N 0.87 0.92 -0.08 1.96 0.00 0.48 -4.31 121.76 121.59 3jut s ALA 58 Ca 0.73 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 51.28 3jut s ALA 58 Cb -0.52 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.20 3jut s ALA 58 CO 0.37 -0.39 -0.14 1.41 0.00 0.00 0.00 175.76 177.00 3jut s MET 59 N -3.96 2.02 0.75 0.00 1.75 -0.77 -0.82 119.30 118.26 3jut s MET 59 Ca 0.19 -0.51 -0.04 0.00 -1.25 0.00 0.00 55.69 54.08 3jut s MET 59 Cb 0.07 -1.67 0.12 0.00 2.84 0.00 0.00 34.83 36.19 3jut s MET 59 CO -0.01 0.01 1.04 0.16 -0.65 0.00 0.00 175.02 175.56 3jut s ASP 60 N 0.76 4.27 0.05 1.11 1.47 0.50 -4.82 116.67 120.02 3jut s ASP 60 Ca -0.12 -0.10 0.19 0.00 1.18 0.00 0.00 52.55 53.70 3jut s ASP 60 Cb -0.16 -0.30 0.81 0.00 -0.34 0.00 0.00 42.92 42.94 3jut s ASP 60 CO 0.02 -1.92 1.62 0.35 0.68 0.00 0.00 175.17 175.92 3jut n THR 61 N -2.97 0.74 1.09 2.11 -2.24 -1.26 -1.15 114.28 110.60 3jut n THR 61 Ca 0.13 0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.20 3jut n THR 61 Cb 0.60 -0.89 0.15 0.00 -2.10 0.00 0.00 70.33 68.09 3jut n THR 61 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jut n ASP 62 N -1.64 1.31 0.00 3.42 8.00 -1.26 -4.96 116.55 121.42 3jut n ASP 62 Ca 0.04 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.50 3jut n ASP 62 Cb 0.23 0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 3jut n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jut n GLY 63 N 1.41 1.09 3.85 0.44 0.00 -0.30 -4.75 105.19 106.93 3jut n GLY 63 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3jut n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jut s LEU 64 N 0.00 4.44 0.01 0.99 0.20 -1.25 -0.39 118.68 122.69 3jut s LEU 64 Ca 0.00 0.87 -0.21 0.00 0.69 0.00 0.00 54.13 55.48 3jut s LEU 64 Cb 0.00 -2.58 -0.06 0.00 -0.43 0.00 0.00 46.19 43.13 3jut s LEU 64 CO 0.00 0.31 0.61 -0.76 -0.29 0.00 0.00 176.35 176.22 3jut s LEU 65 N -1.21 4.44 0.06 -0.68 1.43 -1.26 -0.37 118.68 121.09 3jut s LEU 65 Ca 0.24 1.20 -0.09 0.00 -1.03 0.00 0.00 54.13 54.46 3jut s LEU 65 Cb -0.16 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.12 3jut s LEU 65 CO 0.13 0.12 0.19 -0.72 0.23 0.00 0.00 176.35 176.30 3jut s TYR 66 N -0.32 0.11 -0.21 0.29 -0.85 -0.00 -4.51 117.35 111.85 3jut s TYR 66 Ca 0.31 -0.43 -0.21 0.00 -0.52 0.00 0.00 57.07 56.22 3jut s TYR 66 Cb -0.19 -0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.08 3jut s TYR 66 CO 0.18 -0.48 0.67 0.20 -1.52 0.00 0.00 175.55 174.59 3jut s GLY 67 N -2.46 1.99 -0.04 5.49 0.00 -0.42 -0.39 107.32 111.49 3jut s GLY 67 Ca -0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.31 3jut s GLY 67 CO -0.07 1.41 0.38 -0.45 0.00 0.00 0.00 173.10 174.37 3jut s SER 68 N 1.26 6.72 0.40 1.64 0.15 0.22 -4.78 113.70 119.30 3jut s SER 68 Ca 0.30 0.85 0.24 0.00 0.70 0.00 0.00 55.95 58.04 3jut s SER 68 Cb -0.16 -2.23 0.48 0.00 -1.71 0.00 0.00 66.02 62.40 3jut s SER 68 CO 0.10 0.27 1.66 1.56 1.20 0.00 0.00 173.24 178.02 3jut h GLN 69 N 5.20 0.00 -4.56 5.44 4.20 -1.89 0.32 115.11 123.83 3jut h GLN 69 Ca -0.49 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 57.98 3jut h GLN 69 Cb 1.21 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.81 3jut h GLN 69 CO 0.65 0.00 -0.71 0.95 -0.67 0.00 0.00 178.83 179.04 3jut s THR 70 N -3.20 0.57 0.56 -0.54 -4.23 -1.26 -4.74 115.64 102.80 3jut s THR 70 Ca 0.08 -1.46 -0.19 0.00 -1.18 0.00 0.00 61.69 58.93 3jut s THR 70 Cb 0.07 -1.08 -0.05 0.00 1.34 0.00 0.00 72.50 72.77 3jut s THR 70 CO 0.65 -0.62 1.16 -2.16 -0.54 0.00 0.00 174.62 173.11 3jut s PRO 71 N -2.63 3.19 0.19 3.99 0.04 -1.26 -4.84 135.00 133.69 3jut s PRO 71 Ca -0.00 1.71 -0.22 0.00 0.04 0.00 0.00 61.00 62.53 3jut s PRO 71 Cb -0.03 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.62 3jut s PRO 71 CO -0.02 -1.00 1.03 0.54 0.04 0.00 0.00 177.00 177.58 3jut s ASN 72 N -1.69 -0.00 0.29 6.66 6.03 -1.26 -5.02 114.94 119.95 3jut s ASN 72 Ca 0.75 -0.68 0.17 0.00 -1.03 0.00 0.00 52.86 52.07 3jut s ASN 72 Cb -0.27 0.51 0.95 0.00 -3.03 0.00 0.00 41.25 39.42 3jut s ASN 72 CO 0.30 -1.01 1.51 -1.84 -2.03 0.00 0.00 177.10 174.02 3jut n GLU 73 N -0.69 0.11 0.00 3.55 0.28 -1.26 -1.60 120.64 121.03 3jut n GLU 73 Ca -0.03 0.60 0.12 0.00 -0.16 0.00 0.00 57.16 57.70 3jut n GLU 73 Cb 0.59 -1.94 0.24 0.00 1.43 0.00 0.00 31.44 31.77 3jut n GLU 73 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3jut n GLU 74 N -2.13 1.21 0.00 3.44 1.02 -1.26 -4.05 120.64 118.87 3jut n GLU 74 Ca -0.01 -0.86 0.11 0.00 -0.02 0.00 0.00 57.16 56.38 3jut n GLU 74 Cb 0.09 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 30.10 3jut n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3jut s LEU 76 N -2.63 4.28 0.05 0.00 2.96 -1.26 -4.31 118.68 117.77 3jut s LEU 76 Ca 0.17 1.00 0.05 0.00 -0.22 0.00 0.00 54.13 55.14 3jut s LEU 76 Cb 0.18 -2.92 -0.02 0.00 0.50 0.00 0.00 46.19 43.93 3jut s LEU 76 CO 0.63 -0.10 -0.15 -0.36 -1.32 0.00 0.00 176.35 175.06 3jut s PHE 77 N 0.91 1.28 -0.30 5.38 0.08 -0.48 -1.82 117.98 123.03 3jut s PHE 77 Ca 0.32 -0.39 -0.25 0.00 0.12 0.00 0.00 56.93 56.73 3jut s PHE 77 Cb -0.16 -0.75 0.00 0.00 -0.57 0.00 0.00 43.02 41.54 3jut s PHE 77 CO 0.14 0.05 0.86 -0.51 -0.10 0.00 0.00 175.22 175.67 3jut s LEU 78 N -1.36 4.06 -0.20 -0.37 1.43 0.36 0.42 118.68 123.02 3jut s LEU 78 Ca 0.01 0.81 -0.15 0.00 -1.03 0.00 0.00 54.13 53.77 3jut s LEU 78 Cb -0.09 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 3jut s LEU 78 CO 0.02 -0.67 0.34 -0.70 0.23 0.00 0.00 176.35 175.57 3jut s GLU 79 N 3.11 4.18 -0.07 1.70 2.12 0.97 -2.15 118.70 128.55 3jut s GLU 79 Ca 0.36 0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.79 3jut s GLU 79 Cb -0.14 -3.51 0.03 0.00 0.26 0.00 0.00 34.13 30.77 3jut s GLU 79 CO 0.12 0.04 -0.02 1.03 -0.54 0.00 0.00 175.26 175.89 3jut s ARG 80 N 1.08 0.85 0.06 4.30 1.81 -0.76 -4.80 118.95 121.48 3jut s ARG 80 Ca 0.17 -0.01 -0.31 0.00 -1.72 0.00 0.00 55.73 53.86 3jut s ARG 80 Cb -0.14 -1.08 -0.06 0.00 -0.45 0.00 0.00 34.95 33.22 3jut s ARG 80 CO 0.07 -0.25 1.30 -1.17 -0.68 0.00 0.00 175.30 174.57 3jut s LEU 81 N 1.70 4.35 0.41 2.53 0.20 -1.26 -0.59 118.68 126.02 3jut s LEU 81 Ca 0.02 2.11 0.08 0.00 0.69 0.00 0.00 54.13 57.03 3jut s LEU 81 Cb -0.13 -3.58 -0.00 0.00 -0.43 0.00 0.00 46.19 42.06 3jut s LEU 81 CO -0.05 -0.59 0.50 -1.61 -0.29 0.00 0.00 176.35 174.32 3jut s GLU 82 N 1.44 2.78 0.29 1.98 0.41 0.85 -4.93 118.70 121.51 3jut s GLU 82 Ca 0.61 -1.30 0.20 0.00 -0.41 0.00 0.00 54.97 54.08 3jut s GLU 82 Cb -0.32 -2.66 0.99 0.00 -1.78 0.00 0.00 34.13 30.37 3jut s GLU 82 CO 0.28 -0.21 1.07 -1.91 -0.49 0.00 0.00 175.26 174.00 3jut n GLU 83 N -1.74 -0.03 -0.15 1.61 4.07 -1.26 -0.87 120.64 122.26 3jut n GLU 83 Ca 0.06 0.88 0.05 0.00 -0.06 0.00 0.00 57.16 58.09 3jut n GLU 83 Cb 0.60 -1.69 0.14 0.00 -0.06 0.00 0.00 31.44 30.42 3jut n GLU 83 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3jut n ASN 84 N -4.19 2.80 0.00 4.31 4.05 -1.26 -4.99 115.26 115.98 3jut n ASN 84 Ca 0.27 -1.97 0.00 0.00 0.45 0.00 0.00 54.58 53.33 3jut n ASN 84 Cb 1.02 -0.20 0.00 0.00 1.23 0.00 0.00 39.78 41.83 3jut n ASN 84 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 3jut n HIS 85 N 0.45 0.00 -2.20 1.20 8.25 -0.05 -5.05 115.22 117.83 3jut n HIS 85 Ca 0.10 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.21 3jut n HIS 85 Cb 0.40 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.52 3jut n HIS 85 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3jut s TYR 86 N -3.71 2.65 0.04 4.41 2.02 -1.26 -4.74 117.35 116.77 3jut s TYR 86 Ca 0.00 1.53 0.01 0.00 -0.37 0.00 0.00 57.07 58.24 3jut s TYR 86 Cb 0.00 -3.37 -0.04 0.00 -0.40 0.00 0.00 41.96 38.15 3jut s TYR 86 CO 0.00 -1.73 0.13 -0.80 -1.57 0.00 0.00 175.55 171.58 3jut s ASN 87 N -1.60 5.89 0.21 2.29 0.01 0.14 -0.10 114.94 121.78 3jut s ASN 87 Ca 0.71 0.15 0.00 0.00 -0.71 0.00 0.00 52.86 53.01 3jut s ASN 87 Cb -0.27 -1.71 -0.04 0.00 0.41 0.00 0.00 41.25 39.64 3jut s ASN 87 CO 0.31 0.21 0.39 0.42 -1.51 0.00 0.00 177.10 176.91 3jut s THR 88 N -1.37 5.21 -0.21 1.60 -4.23 0.25 -0.30 115.64 116.59 3jut s THR 88 Ca 0.29 -0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 60.35 3jut s THR 88 Cb -0.12 -3.75 0.06 0.00 1.34 0.00 0.00 72.50 70.02 3jut s THR 88 CO 0.21 -0.21 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.76 3jut s TYR 89 N -1.90 1.79 -0.14 3.99 1.51 -1.26 -1.83 117.35 119.50 3jut s TYR 89 Ca 0.38 -1.32 -0.06 0.00 -1.01 0.00 0.00 57.07 55.05 3jut s TYR 89 Cb -0.11 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 3jut s TYR 89 CO 0.29 -0.69 0.08 -1.50 -1.11 0.00 0.00 175.55 172.62 3jut s ILE 90 N 1.60 4.95 0.12 2.71 2.07 -0.91 -0.47 121.20 131.27 3jut s ILE 90 Ca -0.03 0.01 -0.34 0.00 -1.41 0.00 0.00 60.65 58.88 3jut s ILE 90 Cb -0.18 -3.18 -0.14 0.00 0.13 0.00 0.00 42.46 39.09 3jut s ILE 90 CO -0.07 0.54 1.58 -0.24 -1.91 0.00 0.00 174.94 174.84 3jut n SER 91 N 2.77 2.94 0.04 4.50 2.88 -0.53 -0.49 113.62 125.73 3jut n SER 91 Ca -0.18 1.08 -0.19 0.00 -1.33 0.00 0.00 58.87 58.24 3jut n SER 91 Cb 0.53 -1.39 -0.12 0.00 -0.75 0.00 0.00 64.21 62.49 3jut n SER 91 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3jut h LYS 92 N 6.08 0.52 -0.79 -1.46 3.64 -1.69 -2.43 116.57 120.44 3jut h LYS 92 Ca -0.46 -0.61 0.10 0.00 -1.27 0.00 0.00 60.65 58.42 3jut h LYS 92 Cb 1.27 0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 33.20 3jut h LYS 92 CO 0.88 1.23 0.43 -0.22 -2.27 0.00 0.00 179.45 179.50 3jut h LYS 93 N 0.08 0.68 -0.74 1.90 3.64 -1.78 -2.87 116.57 117.48 3jut h LYS 93 Ca -0.12 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 58.91 3jut h LYS 93 Cb 1.57 -0.15 -0.18 0.00 -0.41 0.00 0.00 32.23 33.05 3jut h LYS 93 CO 0.17 0.45 0.34 0.72 -2.27 0.00 0.00 179.45 178.85 3jut n HIS 94 N -4.81 2.36 0.23 1.91 8.25 -1.21 -4.74 115.22 117.22 3jut n HIS 94 Ca 0.13 -1.49 0.06 0.00 -0.26 0.00 0.00 57.72 56.17 3jut n HIS 94 Cb 0.30 -0.73 0.53 0.00 1.12 0.00 0.00 29.99 31.22 3jut n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3jut h ALA 95 N 1.73 1.61 0.00 -1.41 0.00 -1.20 -0.06 119.26 119.93 3jut h ALA 95 Ca 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3jut h ALA 95 Cb 2.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.13 3jut h ALA 95 CO 0.79 0.23 -0.10 1.05 0.00 0.00 0.00 179.25 181.22 3jut h GLU 96 N 0.00 0.00 -0.00 0.00 9.09 -1.86 -2.95 114.58 118.87 3jut h GLU 96 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3jut h GLU 96 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 3jut h GLU 96 CO 0.02 0.10 -0.37 1.63 0.05 0.00 0.00 179.01 180.45 3jut n LYS 97 N -3.17 0.35 -3.62 1.06 5.02 -0.05 -4.95 118.16 112.80 3jut n LYS 97 Ca 0.02 -0.20 -0.29 0.00 -2.02 0.00 0.00 58.31 55.83 3jut n LYS 97 Cb 0.46 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.02 3jut n LYS 97 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3jut n ASN 98 N -1.15 -5.36 -4.51 4.39 5.03 -1.11 -4.96 115.26 107.58 3jut n ASN 98 Ca 0.09 -0.97 -0.41 0.00 0.87 0.00 0.00 54.58 54.16 3jut n ASN 98 Cb 0.34 -3.67 -0.10 0.00 -1.02 0.00 0.00 39.78 35.32 3jut n ASN 98 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3jut s TRP 99 N -3.46 3.22 0.18 3.10 0.51 -1.25 -4.71 118.94 116.53 3jut s TRP 99 Ca 0.46 -0.29 0.03 0.00 -2.12 0.00 0.00 56.10 54.18 3jut s TRP 99 Cb -0.15 -2.60 -0.03 0.00 -0.81 0.00 0.00 33.47 29.87 3jut s TRP 99 CO 0.84 -0.48 0.31 -0.06 -0.51 0.00 0.00 176.95 177.05 3jut s PHE 100 N 1.83 3.48 0.17 -1.98 0.40 -1.26 -1.45 117.98 119.16 3jut s PHE 100 Ca 0.08 0.09 -0.30 0.00 -0.60 0.00 0.00 56.93 56.19 3jut s PHE 100 Cb -0.18 -1.65 -0.08 0.00 0.51 0.00 0.00 43.02 41.63 3jut s PHE 100 CO 0.11 0.49 1.27 0.08 0.70 0.00 0.00 175.22 177.87 3jut s VAL 101 N -1.82 3.42 -0.16 -0.44 1.01 0.38 -4.49 120.40 118.30 3jut s VAL 101 Ca 0.35 1.14 -0.24 0.00 0.00 0.00 0.00 61.98 63.22 3jut s VAL 101 Cb -0.10 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.61 3jut s VAL 101 CO 0.29 0.15 0.62 -0.83 0.00 0.00 0.00 175.10 175.33 3jut s GLY 102 N 0.46 -0.48 -0.12 4.51 0.00 -1.26 -4.43 107.32 106.00 3jut s GLY 102 Ca 0.57 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.82 3jut s GLY 102 CO 0.36 1.25 -0.14 1.08 0.00 0.00 0.00 173.10 175.65 3jut s LEU 103 N -0.25 2.67 1.04 0.66 1.43 -0.30 0.15 118.68 124.08 3jut s LEU 103 Ca -0.04 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 3jut s LEU 103 Cb -0.03 -1.59 0.21 0.00 0.03 0.00 0.00 46.19 44.81 3jut s LEU 103 CO 0.04 0.17 1.08 -0.54 0.23 0.00 0.00 176.35 177.33 3jut s LYS 104 N 0.31 0.08 0.54 1.70 1.02 0.07 -4.48 119.74 118.98 3jut s LYS 104 Ca -0.11 1.05 0.36 0.00 0.02 0.00 0.00 55.97 57.29 3jut s LYS 104 Cb -0.16 -1.65 1.76 0.00 -0.52 0.00 0.00 37.83 37.26 3jut s LYS 104 CO 0.06 -3.11 2.09 0.87 -0.92 0.00 0.00 175.35 174.33 3jut h LYS 105 N -2.19 0.00 -0.58 1.68 1.57 -1.88 -0.30 116.57 114.87 3jut h LYS 105 Ca -0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3jut h LYS 105 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3jut h LYS 105 CO 0.49 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.64 3jut n ASN 106 N -2.90 3.72 0.00 0.86 0.23 -1.26 -4.47 115.26 111.45 3jut n ASN 106 Ca -0.01 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 3jut n ASN 106 Cb 0.17 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 3jut n ASN 106 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3jut n GLY 107 N 1.54 1.98 3.76 4.83 0.00 -0.12 -4.97 105.19 112.21 3jut n GLY 107 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 3jut n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jut s SER 108 N -2.23 4.58 0.49 1.61 0.01 -1.26 -0.64 113.70 116.25 3jut s SER 108 Ca 0.00 1.95 -0.10 0.00 1.31 0.00 0.00 55.95 59.11 3jut s SER 108 Cb 0.00 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 3jut s SER 108 CO 0.00 -1.99 0.86 0.00 0.41 0.00 0.00 173.24 172.52 3jut s LYS 110 N -4.40 3.83 0.24 0.00 1.02 0.12 -4.72 119.74 115.83 3jut s LYS 110 Ca 0.52 0.35 -0.30 0.00 0.02 0.00 0.00 55.97 56.57 3jut s LYS 110 Cb -0.10 -2.58 -0.09 0.00 -0.52 0.00 0.00 37.83 34.53 3jut s LYS 110 CO 0.40 0.25 1.11 1.03 -0.92 0.00 0.00 175.35 177.22 3jut s ARG 111 N -2.96 4.62 0.28 1.68 0.52 -1.26 -4.61 118.95 117.22 3jut s ARG 111 Ca 0.49 1.78 -0.06 0.00 -0.52 0.00 0.00 55.73 57.41 3jut s ARG 111 Cb -0.11 -3.22 0.50 0.00 0.52 0.00 0.00 34.95 32.64 3jut s ARG 111 CO 0.21 0.15 1.57 0.78 0.02 0.00 0.00 175.30 178.03 3jut h GLY 112 N 4.36 0.81 1.49 -3.53 0.00 -0.94 0.88 103.07 106.14 3jut h GLY 112 Ca -0.46 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3jut h GLY 112 CO 0.69 -0.40 0.00 -1.05 0.00 0.00 0.00 176.54 175.79 3jut n PRO 113 N -5.59 0.30 0.00 4.80 -0.02 -1.26 -1.86 135.00 131.37 3jut n PRO 113 Ca 0.17 0.10 0.09 0.00 -2.02 0.00 0.00 63.50 61.84 3jut n PRO 113 Cb 0.54 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.56 3jut n PRO 113 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3jut n ARG 114 N -1.25 1.59 -3.61 -0.52 5.12 0.28 -4.94 116.66 113.33 3jut n ARG 114 Ca 0.09 -1.23 -0.29 0.00 -1.93 0.00 0.00 57.85 54.50 3jut n ARG 114 Cb 0.13 -1.34 -0.04 0.00 -1.16 0.00 0.00 32.46 30.05 3jut n ARG 114 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3jut s THR 115 N -1.81 5.16 0.05 0.55 -4.23 -0.78 -4.95 115.64 109.63 3jut s THR 115 Ca 0.18 -0.17 -0.25 0.00 -1.18 0.00 0.00 61.69 60.27 3jut s THR 115 Cb 0.15 -3.70 0.06 0.00 1.34 0.00 0.00 72.50 70.34 3jut s THR 115 CO 0.34 -0.15 0.57 -1.38 -0.54 0.00 0.00 174.62 173.47 3jut s HIS 116 N -1.86 -0.50 0.32 3.99 -3.43 -1.26 -4.82 115.29 107.72 3jut s HIS 116 Ca 0.40 0.60 -0.29 0.00 -0.80 0.00 0.00 55.06 54.98 3jut s HIS 116 Cb -0.11 0.40 -0.13 0.00 -1.43 0.00 0.00 32.58 31.31 3jut s HIS 116 CO 0.28 -0.67 1.28 0.66 -2.00 0.00 0.00 174.74 174.28 3jut n TYR 117 N 0.38 2.14 -0.25 0.38 4.02 -1.26 -2.23 117.16 120.34 3jut n TYR 117 Ca -0.18 0.55 0.00 0.00 -0.01 0.00 0.00 57.90 58.26 3jut n TYR 117 Cb 0.60 -2.40 0.00 0.00 -0.02 0.00 0.00 39.34 37.52 3jut n TYR 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3jut n GLY 118 N 1.08 0.81 3.83 2.72 0.00 -1.26 -5.07 105.19 107.31 3jut n GLY 118 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3jut n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jut s GLN 119 N -0.64 4.06 0.51 1.61 -0.21 -0.95 -4.94 119.66 119.11 3jut s GLN 119 Ca 0.00 0.58 0.22 0.00 0.02 0.00 0.00 55.36 56.18 3jut s GLN 119 Cb 0.00 -3.11 1.36 0.00 1.00 0.00 0.00 33.01 32.26 3jut s GLN 119 CO 0.00 0.58 2.09 -0.22 -2.12 0.00 0.00 175.29 175.62 3jut h LYS 120 N 4.15 0.00 -0.25 2.91 3.64 -1.97 -3.01 116.57 122.04 3jut h LYS 120 Ca -0.49 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.96 3jut h LYS 120 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 3jut h LYS 120 CO 0.64 0.10 0.24 0.00 -2.27 0.00 0.00 179.45 178.17 3jut h ALA 121 N 1.90 1.95 -0.03 5.00 0.00 -1.92 -2.00 119.26 124.16 3jut h ALA 121 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jut h ALA 121 Cb 0.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3jut h ALA 121 CO 0.01 -0.37 -0.02 0.44 0.00 0.00 0.00 179.25 179.32 3jut n ILE 122 N -3.91 0.00 -3.37 0.00 -5.35 -1.14 -1.15 119.36 104.44 3jut n ILE 122 Ca 0.03 -0.45 -0.39 0.00 -0.27 0.00 0.00 62.75 61.67 3jut n ILE 122 Cb 0.39 1.32 -0.09 0.00 -1.74 0.00 0.00 39.64 39.52 3jut n ILE 122 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3jut s LEU 123 N -2.02 4.06 -0.12 7.28 1.43 -0.75 -4.21 118.68 124.35 3jut s LEU 123 Ca 0.29 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.77 3jut s LEU 123 Cb 0.20 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.97 3jut s LEU 123 CO 0.31 -0.17 -0.15 -0.36 0.23 0.00 0.00 176.35 176.21 3jut s PHE 124 N 1.95 2.08 -0.39 0.29 0.40 0.59 -3.62 117.98 119.28 3jut s PHE 124 Ca 0.16 -1.05 -0.25 0.00 -0.60 0.00 0.00 56.93 55.19 3jut s PHE 124 Cb -0.16 -1.51 0.02 0.00 0.51 0.00 0.00 43.02 41.89 3jut s PHE 124 CO 0.09 -0.55 0.89 -1.17 0.70 0.00 0.00 175.22 175.18 3jut s LEU 125 N 1.16 4.04 0.13 -0.37 2.96 0.06 0.24 118.68 126.90 3jut s LEU 125 Ca -0.03 0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 53.97 3jut s LEU 125 Cb -0.14 -3.18 -0.06 0.00 0.50 0.00 0.00 46.19 43.30 3jut s LEU 125 CO -0.05 -0.88 0.94 -2.16 -1.32 0.00 0.00 176.35 172.88 3jut s PRO 126 N 3.46 4.71 -0.44 0.98 0.04 -1.26 -1.79 135.00 140.69 3jut s PRO 126 Ca 0.36 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.84 3jut s PRO 126 Cb -0.12 -3.35 0.13 0.00 0.04 0.00 0.00 34.50 31.20 3jut s PRO 126 CO 0.20 0.29 0.24 -0.51 0.04 0.00 0.00 177.00 177.26 3jut s LEU 127 N -0.27 2.78 -0.18 -3.56 2.01 0.55 -4.97 118.68 115.03 3jut s LEU 127 Ca 0.45 -2.64 -0.29 0.00 0.01 0.00 0.00 54.13 51.66 3jut s LEU 127 Cb -0.24 -1.07 -0.05 0.00 0.01 0.00 0.00 46.19 44.84 3jut s LEU 127 CO 0.30 -0.27 2.07 -2.16 1.01 0.00 0.00 176.35 177.30 3jut s PRO 128 N 0.33 3.40 -0.28 1.29 0.04 -1.26 -1.91 135.00 136.60 3jut s PRO 128 Ca 0.17 2.04 -0.41 0.00 0.04 0.00 0.00 61.00 62.84 3jut s PRO 128 Cb -0.25 -4.29 -0.19 0.00 0.04 0.00 0.00 34.50 29.82 3jut s PRO 128 CO 0.00 -1.80 1.29 1.55 0.04 0.00 0.00 177.00 178.09 3jut n VAL 129 N 7.19 0.00 0.00 -0.36 3.14 -0.88 -4.99 118.33 122.43 3jut n VAL 129 Ca 0.26 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.64 3jut n VAL 129 Cb 0.44 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.95 3jut n VAL 129 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13