#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3k n ALA 2 N 0.00 -1.42 -1.78 3.04 0.00 -1.26 -4.97 120.51 114.12 1t3k n ALA 2 Ca 0.00 0.26 -0.37 0.00 0.00 0.00 0.00 53.44 53.33 1t3k n ALA 2 Cb 0.00 -4.45 -0.06 0.00 0.00 0.00 0.00 19.45 14.94 1t3k n ALA 2 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1t3k s MET 3 N -5.98 4.52 -0.18 0.00 -2.45 -1.26 -5.02 119.30 108.93 1t3k s MET 3 Ca 0.40 1.39 -0.35 0.00 -1.25 0.00 0.00 55.69 55.89 1t3k s MET 3 Cb -0.18 -2.78 0.14 0.00 1.25 0.00 0.00 34.83 33.26 1t3k s MET 3 CO 0.69 0.20 1.24 0.00 1.05 0.00 0.00 175.02 178.20 1t3k s ALA 4 N -1.59 -2.11 -0.10 4.11 0.00 -1.26 -5.10 121.76 115.72 1t3k s ALA 4 Ca 0.51 1.52 0.02 0.00 0.00 0.00 0.00 51.96 54.01 1t3k s ALA 4 Cb -0.20 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1t3k s ALA 4 CO 0.26 -0.65 -0.14 0.50 0.00 0.00 0.00 175.76 175.73 1t3k s ARG 5 N -2.38 2.05 0.00 0.00 6.06 -1.26 -4.90 118.95 118.53 1t3k s ARG 5 Ca 0.10 -0.51 0.00 0.00 -2.50 0.00 0.00 55.73 52.83 1t3k s ARG 5 Cb -0.00 -1.75 0.00 0.00 0.06 0.00 0.00 34.95 33.26 1t3k s ARG 5 CO -0.04 -0.05 0.00 0.45 -2.50 0.00 0.00 175.30 173.16 1t3k n SER 6 N 4.14 0.00 -4.57 -2.12 2.88 -1.26 -4.75 113.62 107.94 1t3k n SER 6 Ca -0.19 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.92 1t3k n SER 6 Cb 0.51 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.93 1t3k n SER 6 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1t3k s ILE 7 N 0.00 4.51 -0.00 2.46 -1.09 -1.24 -3.87 121.20 121.96 1t3k s ILE 7 Ca 0.00 0.78 0.02 0.00 -2.23 0.00 0.00 60.65 59.22 1t3k s ILE 7 Cb 0.00 -4.40 -0.00 0.00 -1.58 0.00 0.00 42.46 36.47 1t3k s ILE 7 CO 0.00 -0.77 -0.06 -0.94 -1.23 0.00 0.00 174.94 171.94 1t3k s SER 8 N 2.19 0.69 0.43 3.58 1.04 -0.94 -4.82 113.70 115.87 1t3k s SER 8 Ca 0.36 -0.11 -0.10 0.00 0.48 0.00 0.00 55.95 56.59 1t3k s SER 8 Cb -0.11 -0.08 -0.06 0.00 0.10 0.00 0.00 66.02 65.88 1t3k s SER 8 CO 0.25 0.07 0.79 -0.72 0.98 0.00 0.00 173.24 174.61 1t3k s TYR 9 N -0.13 3.49 -0.04 5.02 -0.85 -1.26 -0.32 117.35 123.26 1t3k s TYR 9 Ca 0.02 1.03 0.05 0.00 -0.52 0.00 0.00 57.07 57.65 1t3k s TYR 9 Cb -0.02 -2.44 -0.01 0.00 0.38 0.00 0.00 41.96 39.87 1t3k s TYR 9 CO -0.00 -0.17 -0.20 0.42 -1.52 0.00 0.00 175.55 174.08 1t3k s ILE 10 N -2.48 1.63 0.68 -3.49 -1.09 -0.71 -4.79 121.20 110.96 1t3k s ILE 10 Ca 0.51 -0.84 -0.05 0.00 -2.23 0.00 0.00 60.65 58.04 1t3k s ILE 10 Cb -0.10 -1.39 0.07 0.00 -1.58 0.00 0.00 42.46 39.45 1t3k s ILE 10 CO 0.35 0.46 0.98 0.42 -1.23 0.00 0.00 174.94 175.92 1t3k s THR 11 N -0.10 2.33 0.00 2.92 -4.23 -1.26 -2.06 115.64 113.24 1t3k s THR 11 Ca -0.02 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 1t3k s THR 11 Cb -0.12 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1t3k s THR 11 CO 0.02 0.00 0.61 -0.24 -0.54 0.00 0.00 174.62 174.47 1t3k n SER 12 N -2.83 0.00 -0.14 3.99 2.88 -1.26 0.16 113.62 116.41 1t3k n SER 12 Ca 0.09 0.61 -0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1t3k n SER 12 Cb 0.60 -0.11 0.25 0.00 -0.75 0.00 0.00 64.21 64.20 1t3k n SER 12 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1t3k h THR 13 N 0.00 1.19 -0.00 2.46 1.35 -2.02 0.24 112.91 116.14 1t3k h THR 13 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1t3k h THR 13 Cb 0.00 0.40 -0.00 0.00 -1.73 0.00 0.00 68.15 66.82 1t3k h THR 13 CO 0.00 0.22 0.12 -0.61 -0.25 0.00 0.00 175.52 175.01 1t3k h GLN 14 N 0.85 0.00 0.00 4.72 5.75 -1.73 0.83 115.11 125.52 1t3k h GLN 14 Ca 0.21 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.66 1t3k h GLN 14 Cb 0.06 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1t3k h GLN 14 CO -0.03 0.00 -0.27 1.25 -2.65 0.00 0.00 178.83 177.12 1t3k h LEU 15 N 0.00 0.00 0.19 -2.39 7.12 0.51 -2.84 115.31 117.90 1t3k h LEU 15 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1t3k h LEU 15 Cb 0.25 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.37 1t3k h LEU 15 CO -0.00 0.27 -0.17 0.25 -0.13 0.00 0.00 178.44 178.67 1t3k h LEU 16 N 0.00 -0.44 0.00 2.25 5.85 0.69 -3.40 115.31 120.27 1t3k h LEU 16 Ca -0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1t3k h LEU 16 Cb 0.99 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1t3k h LEU 16 CO 0.04 -0.26 0.00 -0.81 -0.34 0.00 0.00 178.44 177.07 1t3k n PRO 17 N -5.29 0.00 -3.78 5.25 -0.04 -1.25 -4.98 135.00 124.91 1t3k n PRO 17 Ca -0.08 0.07 -0.35 0.00 -0.04 0.00 0.00 63.50 63.10 1t3k n PRO 17 Cb 0.21 -0.36 0.03 0.00 -0.04 0.00 0.00 33.50 33.34 1t3k n PRO 17 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1t3k n LEU 18 N -1.50 -2.20 -2.28 1.53 -0.00 -1.07 -3.57 117.00 107.92 1t3k n LEU 18 Ca 0.00 -1.07 -0.02 0.00 -0.00 0.00 0.00 56.01 54.93 1t3k n LEU 18 Cb 0.00 -2.17 0.00 0.00 -0.00 0.00 0.00 43.42 41.26 1t3k n LEU 18 CO 0.00 0.52 0.12 1.57 -0.00 0.00 0.00 177.39 179.60 1t3k n HIS 19 N -4.27 -1.69 -0.25 1.47 -0.00 -1.26 -4.79 115.22 104.43 1t3k n HIS 19 Ca -0.11 0.66 0.22 0.00 -0.00 0.00 0.00 57.72 58.49 1t3k n HIS 19 Cb 0.59 -2.88 0.37 0.00 -0.00 0.00 0.00 29.99 28.06 1t3k n HIS 19 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1t3k n ARG 20 N -1.00 -0.02 -1.51 1.57 5.12 -1.23 -4.47 116.66 115.12 1t3k n ARG 20 Ca 0.03 0.73 -0.47 0.00 -1.93 0.00 0.00 57.85 56.20 1t3k n ARG 20 Cb 0.40 -1.40 -0.03 0.00 -1.16 0.00 0.00 32.46 30.27 1t3k n ARG 20 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1t3k n ARG 21 N -3.91 0.72 0.00 5.56 3.00 -1.26 -4.96 116.66 115.80 1t3k n ARG 21 Ca 0.23 0.25 0.00 0.00 -0.00 0.00 0.00 57.85 58.33 1t3k n ARG 21 Cb 0.85 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.81 1t3k n ARG 21 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1t3k n PRO 22 N 1.03 1.92 -3.46 -0.14 -0.02 -1.26 -4.79 135.00 128.27 1t3k n PRO 22 Ca 0.14 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.44 1t3k n PRO 22 Cb 0.27 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.77 1t3k n PRO 22 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1t3k n ASN 23 N 0.00 -6.16 -3.95 2.55 3.02 -1.26 -4.74 115.26 104.72 1t3k n ASN 23 Ca 0.00 -0.68 -0.19 0.00 -0.03 0.00 0.00 54.58 53.69 1t3k n ASN 23 Cb 0.00 -3.83 -0.15 0.00 -0.61 0.00 0.00 39.78 35.19 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1t3k s ILE 24 N -3.21 0.58 -0.26 2.41 1.10 -1.25 0.11 121.20 120.68 1t3k s ILE 24 Ca 0.23 -0.23 -0.12 0.00 -0.51 0.00 0.00 60.65 60.01 1t3k s ILE 24 Cb -0.07 -0.54 0.09 0.00 0.15 0.00 0.00 42.46 42.09 1t3k s ILE 24 CO 0.82 0.20 0.61 0.00 -2.11 0.00 0.00 174.94 174.46 1t3k s ALA 25 N 0.36 -1.73 -0.21 1.50 0.00 0.37 -4.89 121.76 117.16 1t3k s ALA 25 Ca -0.05 2.17 -0.13 0.00 0.00 0.00 0.00 51.96 53.95 1t3k s ALA 25 Cb -0.09 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1t3k s ALA 25 CO 0.00 -0.58 0.28 0.42 0.00 0.00 0.00 175.76 175.88 1t3k s ILE 26 N 2.11 5.28 -0.01 0.00 1.01 -1.26 -1.97 121.20 126.36 1t3k s ILE 26 Ca -0.08 0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.92 1t3k s ILE 26 Cb -0.08 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 1t3k s ILE 26 CO -0.18 0.31 0.33 -0.63 0.00 0.00 0.00 174.94 174.77 1t3k s ILE 27 N 1.09 5.18 -0.15 2.92 1.01 0.57 -1.11 121.20 130.71 1t3k s ILE 27 Ca 0.14 0.56 -0.01 0.00 0.00 0.00 0.00 60.65 61.34 1t3k s ILE 27 Cb -0.14 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.75 1t3k s ILE 27 CO 0.06 0.52 -0.05 -1.81 0.00 0.00 0.00 174.94 173.65 1t3k s ASP 28 N -1.25 2.56 -1.27 3.58 1.01 -0.28 -2.39 116.67 118.64 1t3k s ASP 28 Ca 0.24 -0.53 -0.16 0.00 0.71 0.00 0.00 52.55 52.81 1t3k s ASP 28 Cb -0.15 -0.85 0.11 0.00 1.01 0.00 0.00 42.92 43.05 1t3k s ASP 28 CO 0.12 -0.17 1.63 0.52 0.21 0.00 0.00 175.17 177.48 1t3k n VAL 29 N 4.92 4.07 0.00 -1.27 0.31 -1.26 -1.46 118.33 123.64 1t3k n VAL 29 Ca -0.12 -4.35 0.00 0.00 -0.01 0.00 0.00 64.34 59.86 1t3k n VAL 29 Cb 0.49 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 1t3k n VAL 29 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1t3k n ARG 30 N 7.08 0.00 0.00 5.55 5.12 0.17 -4.95 116.66 129.63 1t3k n ARG 30 Ca 0.44 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 1t3k n ARG 30 Cb 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.74 1t3k n ARG 30 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1t3k n ASP 31 N 0.00 0.00 -1.40 0.55 9.92 -1.26 -4.77 116.55 119.59 1t3k n ASP 31 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 1t3k n ASP 31 Cb 0.00 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 40.54 1t3k n ASP 31 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1t3k n GLU 32 N 0.00 0.56 0.22 -1.24 1.02 -1.26 -3.63 120.64 116.30 1t3k n GLU 32 Ca 0.00 -2.45 0.17 0.00 -0.02 0.00 0.00 57.16 54.87 1t3k n GLU 32 Cb 0.00 -0.53 0.77 0.00 -0.02 0.00 0.00 31.44 31.66 1t3k n GLU 32 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1t3k h GLU 33 N 1.14 0.00 0.00 3.49 4.81 -1.94 0.73 114.58 122.81 1t3k h GLU 33 Ca -0.16 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 1t3k h GLU 33 Cb 1.65 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 1t3k h GLU 33 CO 0.10 0.00 -0.38 0.00 -0.73 0.00 0.00 179.01 178.00 1t3k h ARG 34 N 0.00 0.00 0.05 1.92 2.47 -1.98 0.50 114.38 117.35 1t3k h ARG 34 Ca 0.10 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.65 1t3k h ARG 34 Cb 0.90 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.21 1t3k h ARG 34 CO -0.00 0.38 -0.85 -0.91 0.56 0.00 0.00 179.97 179.16 1t3k h ASN 35 N 0.00 0.18 0.17 7.04 -0.26 0.07 -3.38 115.58 119.40 1t3k h ASN 35 Ca -0.00 -0.83 -0.27 0.00 -0.56 0.00 0.00 56.30 54.63 1t3k h ASN 35 Cb 1.01 -0.06 0.03 0.00 -1.06 0.00 0.00 38.32 38.24 1t3k h ASN 35 CO 0.05 1.36 -1.17 1.88 -1.06 0.00 0.00 177.43 178.49 1t3k h TYR 36 N -0.70 0.85 -0.89 1.19 -1.99 -1.50 -3.48 116.97 110.46 1t3k h TYR 36 Ca -0.20 -0.59 -0.29 0.00 2.00 0.00 0.00 58.73 59.66 1t3k h TYR 36 Cb 1.39 -0.05 -0.10 0.00 2.00 0.00 0.00 36.73 39.98 1t3k h TYR 36 CO 0.18 1.44 -0.28 -0.25 -0.00 0.00 0.00 178.16 179.25 1t3k n ASP 37 N -3.89 -4.66 -3.07 3.88 9.92 0.17 -4.99 116.55 113.91 1t3k n ASP 37 Ca -0.15 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1t3k n ASP 37 Cb 0.96 -3.48 0.00 0.00 -0.64 0.00 0.00 41.12 37.96 1t3k n ASP 37 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1t3k n GLY 38 N -1.20 -3.08 0.00 0.44 0.00 -1.26 -4.90 105.19 95.19 1t3k n GLY 38 Ca -0.15 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1t3k n GLY 38 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1t3k n HIS 39 N -2.62 0.00 -3.42 1.61 -0.00 -1.26 -4.62 115.22 104.90 1t3k n HIS 39 Ca 0.00 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.02 1t3k n HIS 39 Cb 0.00 -0.11 -0.04 0.00 -0.12 0.00 0.00 29.99 29.71 1t3k n HIS 39 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 1t3k n ILE 40 N -1.62 -0.54 -3.31 3.57 -0.00 -1.26 -4.17 119.36 112.02 1t3k n ILE 40 Ca 0.00 -0.25 -0.40 0.00 -0.00 0.00 0.00 62.75 62.10 1t3k n ILE 40 Cb 0.00 -0.53 -0.08 0.00 -0.00 0.00 0.00 39.64 39.03 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1t3k s ALA 41 N -3.72 3.54 0.00 -1.28 0.00 -0.94 -4.79 121.76 114.57 1t3k s ALA 41 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1t3k s ALA 41 Cb -0.01 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1t3k s ALA 41 CO 0.48 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1t3k n GLY 42 N 4.68 3.33 0.03 0.00 0.00 -1.17 -3.18 105.19 108.88 1t3k n GLY 42 Ca -0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 1t3k n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t3k n SER 43 N 0.00 0.67 -4.14 1.61 2.88 -1.24 -0.37 113.62 113.04 1t3k n SER 43 Ca 0.00 0.15 -0.31 0.00 -1.33 0.00 0.00 58.87 57.39 1t3k n SER 43 Cb 0.00 -0.59 -0.17 0.00 -0.75 0.00 0.00 64.21 62.70 1t3k n SER 43 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1t3k s LEU 44 N -5.99 1.96 -0.08 2.46 2.01 -0.27 -4.71 118.68 114.06 1t3k s LEU 44 Ca -0.09 -0.52 0.04 0.00 0.01 0.00 0.00 54.13 53.56 1t3k s LEU 44 Cb 0.01 -1.29 0.00 0.00 0.01 0.00 0.00 46.19 44.93 1t3k s LEU 44 CO 0.14 0.08 -0.20 -1.38 1.01 0.00 0.00 176.35 176.00 1t3k s HIS 45 N 0.74 2.10 0.07 0.29 -3.43 -1.26 -1.12 115.29 112.67 1t3k s HIS 45 Ca -0.10 -0.80 -0.05 0.00 -0.80 0.00 0.00 55.06 53.30 1t3k s HIS 45 Cb -0.16 -1.43 -0.02 0.00 -1.43 0.00 0.00 32.58 29.54 1t3k s HIS 45 CO 0.01 -0.33 0.10 1.52 -2.00 0.00 0.00 174.74 174.04 1t3k s TYR 46 N 0.37 0.30 0.03 0.38 1.13 -0.54 -4.96 117.35 114.07 1t3k s TYR 46 Ca -0.15 -0.78 0.00 0.00 -1.41 0.00 0.00 57.07 54.74 1t3k s TYR 46 Cb -0.16 -0.20 -0.00 0.00 -1.10 0.00 0.00 41.96 40.50 1t3k s TYR 46 CO 0.06 -0.47 0.01 0.00 -2.51 0.00 0.00 175.55 172.64 1t3k n ALA 47 N 0.06 0.04 -1.16 9.51 0.00 -1.26 0.42 120.51 128.12 1t3k n ALA 47 Ca -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1t3k n ALA 47 Cb 0.62 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.15 1t3k n ALA 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t3k n SER 48 N -2.03 0.00 0.00 0.00 2.88 -1.24 -2.95 113.62 110.28 1t3k n SER 48 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1t3k n SER 48 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1t3k n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t3k n GLY 49 N 5.00 0.24 0.54 0.46 0.00 -1.26 -3.42 105.19 106.75 1t3k n GLY 49 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1t3k n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t3k n SER 50 N 0.00 -0.29 0.21 1.61 3.41 -1.26 -4.95 113.62 112.35 1t3k n SER 50 Ca 0.00 -0.90 0.13 0.00 -0.26 0.00 0.00 58.87 57.85 1t3k n SER 50 Cb 0.00 0.09 0.71 0.00 -0.26 0.00 0.00 64.21 64.75 1t3k n SER 50 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1t3k h PHE 51 N 0.00 0.00 -0.33 7.33 -0.00 -1.55 0.34 116.94 122.74 1t3k h PHE 51 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.81 1t3k h PHE 51 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.77 1t3k h PHE 51 CO -0.15 0.00 0.00 -3.47 -0.00 0.00 0.00 178.31 174.69 1t3k n ASP 52 N -2.44 1.98 -0.07 -0.68 -0.08 -1.26 -3.74 116.55 110.27 1t3k n ASP 52 Ca -0.02 -2.06 -0.06 0.00 -1.51 0.00 0.00 54.79 51.14 1t3k n ASP 52 Cb 0.09 -0.27 -0.11 0.00 2.34 0.00 0.00 41.12 43.16 1t3k n ASP 52 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1t3k n ASP 53 N 0.46 1.57 0.16 1.67 2.03 0.12 -4.37 116.55 118.19 1t3k n ASP 53 Ca 0.11 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.55 1t3k n ASP 53 Cb 0.34 0.89 0.54 0.00 -0.72 0.00 0.00 41.12 42.17 1t3k n ASP 53 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1t3k h LYS 54 N 0.00 0.00 -0.83 -0.67 6.56 -1.65 -2.97 116.57 117.00 1t3k h LYS 54 Ca -0.36 0.00 0.18 0.00 -1.06 0.00 0.00 60.65 59.42 1t3k h LYS 54 Cb 1.79 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 33.39 1t3k h LYS 54 CO 0.02 0.00 0.55 0.82 -2.06 0.00 0.00 179.45 178.78 1t3k h ILE 55 N 0.00 0.72 0.00 1.86 1.08 -1.76 0.74 117.51 120.15 1t3k h ILE 55 Ca 0.00 -0.13 -0.05 0.00 -0.39 0.00 0.00 64.86 64.29 1t3k h ILE 55 Cb 0.39 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 1t3k h ILE 55 CO 0.00 0.07 -0.25 -1.28 -0.69 0.00 0.00 178.15 176.00 1t3k h SER 56 N 0.38 0.00 -0.02 1.72 0.87 -1.83 0.64 113.55 115.30 1t3k h SER 56 Ca 0.42 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.88 1t3k h SER 56 Cb 1.05 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1t3k h SER 56 CO -0.14 0.25 -0.37 -0.74 -0.53 0.00 0.00 176.83 175.30 1t3k h HIS 57 N 0.00 0.42 0.13 2.24 6.17 0.30 -1.75 115.15 122.66 1t3k h HIS 57 Ca -0.00 -0.21 -0.26 0.00 0.71 0.00 0.00 60.37 60.60 1t3k h HIS 57 Cb 0.76 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.64 1t3k h HIS 57 CO 0.00 1.00 -1.29 1.25 0.71 0.00 0.00 177.93 179.59 1t3k h LEU 58 N -0.27 0.43 -1.41 0.26 7.12 -1.38 -2.92 115.31 117.13 1t3k h LEU 58 Ca -0.04 -0.88 0.03 0.00 0.13 0.00 0.00 57.88 57.12 1t3k h LEU 58 Cb 1.08 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 41.04 1t3k h LEU 58 CO 0.07 1.58 0.43 0.58 -0.13 0.00 0.00 178.44 180.97 1t3k h VAL 59 N -0.29 1.10 0.00 1.05 2.07 -1.03 -0.40 116.25 118.76 1t3k h VAL 59 Ca -0.27 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 1t3k h VAL 59 Cb 1.76 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1t3k h VAL 59 CO 0.09 0.14 -0.52 1.56 0.02 0.00 0.00 177.57 178.86 1t3k h GLN 60 N 0.77 0.00 -1.48 1.57 1.08 -1.40 -3.09 115.11 112.58 1t3k h GLN 60 Ca 0.25 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.18 1t3k h GLN 60 Cb 0.06 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.36 1t3k h GLN 60 CO -0.07 0.52 0.36 0.09 -0.95 0.00 0.00 178.83 178.78 1t3k n ASN 61 N -3.64 5.84 0.24 1.46 5.03 -0.16 -4.59 115.26 119.44 1t3k n ASN 61 Ca -0.01 -2.94 0.08 0.00 0.87 0.00 0.00 54.58 52.58 1t3k n ASN 61 Cb 0.59 -0.99 0.43 0.00 -1.02 0.00 0.00 39.78 38.78 1t3k n ASN 61 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 1t3k h VAL 62 N 0.90 0.00 0.00 2.41 -1.51 -1.54 -3.34 116.25 113.18 1t3k h VAL 62 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.73 1t3k h VAL 62 Cb 1.07 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1t3k h VAL 62 CO 0.64 0.00 0.00 2.29 -1.23 0.00 0.00 177.57 179.27 1t3k n LYS 63 N -2.33 0.00 -2.67 5.19 2.85 -1.03 -4.15 118.16 116.02 1t3k n LYS 63 Ca -0.01 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.16 1t3k n LYS 63 Cb 0.46 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.88 1t3k n LYS 63 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1t3k n ASP 64 N 0.00 1.05 -2.92 -5.58 9.92 -1.26 -5.03 116.55 112.73 1t3k n ASP 64 Ca 0.00 -2.66 -0.06 0.00 -0.53 0.00 0.00 54.79 51.54 1t3k n ASP 64 Cb 0.00 -0.35 0.01 0.00 -0.64 0.00 0.00 41.12 40.14 1t3k n ASP 64 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1t3k n LYS 65 N -0.14 -2.47 -3.65 -1.24 4.01 -1.26 -5.04 118.16 108.36 1t3k n LYS 65 Ca 0.07 2.12 -0.05 0.00 -0.51 0.00 0.00 58.31 59.94 1t3k n LYS 65 Cb 0.82 -4.29 -0.07 0.00 -0.51 0.00 0.00 35.03 30.98 1t3k n LYS 65 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1t3k s ASP 66 N -1.74 -0.67 -0.11 4.39 1.01 -1.26 -4.58 116.67 113.71 1t3k s ASP 66 Ca 0.10 1.26 0.03 0.00 0.71 0.00 0.00 52.55 54.65 1t3k s ASP 66 Cb -0.02 1.77 -0.00 0.00 1.01 0.00 0.00 42.92 45.68 1t3k s ASP 66 CO 0.64 -0.23 -0.22 0.42 0.21 0.00 0.00 175.17 175.99 1t3k s THR 67 N 2.71 2.20 0.00 -1.27 -4.23 0.30 0.31 115.64 115.67 1t3k s THR 67 Ca -0.04 -0.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.54 1t3k s THR 67 Cb -0.12 -1.85 -0.01 0.00 1.34 0.00 0.00 72.50 71.86 1t3k s THR 67 CO -0.16 0.55 -0.10 -1.48 -0.54 0.00 0.00 174.62 172.89 1t3k s LEU 68 N 0.38 2.05 -0.19 4.79 0.05 -0.88 -0.47 118.68 124.41 1t3k s LEU 68 Ca -0.17 -0.24 -0.02 0.00 0.05 0.00 0.00 54.13 53.76 1t3k s LEU 68 Cb -0.18 -0.51 0.00 0.00 -2.05 0.00 0.00 46.19 43.46 1t3k s LEU 68 CO 0.08 0.09 -0.11 0.68 -0.55 0.00 0.00 176.35 176.54 1t3k s VAL 69 N -0.38 2.83 0.11 1.48 -7.23 -0.83 -0.37 120.40 116.02 1t3k s VAL 69 Ca 0.03 -0.68 0.05 0.00 -1.81 0.00 0.00 61.98 59.57 1t3k s VAL 69 Cb -0.05 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 1t3k s VAL 69 CO -0.00 0.48 -0.12 0.72 -0.31 0.00 0.00 175.10 175.86 1t3k s PHE 70 N 1.28 1.27 0.00 2.82 -0.71 -0.87 -0.31 117.98 121.47 1t3k s PHE 70 Ca 0.03 -0.60 0.00 0.00 -1.04 0.00 0.00 56.93 55.33 1t3k s PHE 70 Cb -0.14 -0.67 0.00 0.00 -1.21 0.00 0.00 43.02 41.00 1t3k s PHE 70 CO -0.06 0.09 0.00 -2.39 -1.34 0.00 0.00 175.22 171.52 1t3k n HIS 71 N 0.51 0.00 0.00 3.49 1.44 -1.01 -2.78 115.22 116.88 1t3k n HIS 71 Ca -0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.56 1t3k n HIS 71 Cb 0.57 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.68 1t3k n HIS 71 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1t3k n SER 72 N 0.00 0.00 -0.35 4.39 2.88 -1.26 -4.38 113.62 114.91 1t3k n SER 72 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1t3k n SER 72 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1t3k n SER 72 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3k n ALA 73 N -1.00 1.70 0.01 -1.46 0.00 -1.23 -4.09 120.51 114.44 1t3k n ALA 73 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 53.44 52.75 1t3k n ALA 73 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 1t3k n ALA 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1t3k n LEU 74 N 0.00 0.85 -0.34 0.00 7.99 -1.26 -4.68 117.00 119.56 1t3k n LEU 74 Ca 0.00 0.12 -0.04 0.00 -0.01 0.00 0.00 56.01 56.08 1t3k n LEU 74 Cb 0.61 -0.28 -0.02 0.00 -0.11 0.00 0.00 43.42 43.62 1t3k n LEU 74 CO 0.00 -0.37 -0.04 -0.24 -1.51 0.00 0.00 177.39 175.23 1t3k n SER 75 N -3.45 -5.64 -0.02 -1.43 2.88 -1.26 -4.64 113.62 100.05 1t3k n SER 75 Ca -0.04 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1t3k n SER 75 Cb 0.27 -3.65 0.00 0.00 -0.75 0.00 0.00 64.21 60.08 1t3k n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3k n GLN 76 N 0.26 0.00 0.00 -1.46 10.64 -1.26 -4.85 117.38 120.71 1t3k n GLN 76 Ca -0.04 -0.49 0.00 0.00 -1.83 0.00 0.00 57.00 54.63 1t3k n GLN 76 Cb 0.52 -0.47 0.00 0.00 -0.86 0.00 0.00 30.24 29.42 1t3k n GLN 76 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 1t3k n VAL 77 N 0.00 0.00 0.15 -0.39 0.24 -1.26 -4.94 118.33 112.13 1t3k n VAL 77 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.33 1t3k n VAL 77 Cb 0.51 0.00 0.13 0.00 -1.47 0.00 0.00 33.84 33.00 1t3k n VAL 77 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1t3k h ARG 78 N 0.00 0.00 -0.85 7.34 2.43 -1.91 -3.33 114.38 118.05 1t3k h ARG 78 Ca 0.00 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.30 1t3k h ARG 78 Cb 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.41 1t3k h ARG 78 CO 0.00 0.51 -0.40 0.78 -1.51 0.00 0.00 179.97 179.35 1t3k h GLY 79 N 2.92 -0.11 1.96 2.80 0.00 -1.89 0.81 103.07 109.56 1t3k h GLY 79 Ca -0.01 0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.83 1t3k h GLY 79 CO 0.07 -0.18 -0.10 -0.56 0.00 0.00 0.00 176.54 175.77 1t3k h PRO 80 N -0.07 0.05 -0.14 4.80 0.13 -1.97 -1.61 132.00 133.19 1t3k h PRO 80 Ca 0.28 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.40 1t3k h PRO 80 Cb 0.57 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1t3k h PRO 80 CO -0.88 0.15 0.05 1.15 -0.23 0.00 0.00 178.00 178.25 1t3k h THR 81 N 0.05 1.16 -0.40 1.56 2.02 0.40 0.45 112.91 118.15 1t3k h THR 81 Ca 0.01 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1t3k h THR 81 Cb 0.21 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1t3k h THR 81 CO 0.01 0.15 0.25 0.00 0.37 0.00 0.00 175.52 176.31 1t3k h ALA 83 N 1.12 1.88 -0.45 0.00 0.00 -1.05 0.13 119.26 120.89 1t3k h ALA 83 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1t3k h ALA 83 Cb -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1t3k h ALA 83 CO -0.03 0.05 0.22 -0.09 0.00 0.00 0.00 179.25 179.40 1t3k h ARG 84 N 0.00 0.62 -0.06 0.00 2.43 0.23 0.37 114.38 117.98 1t3k h ARG 84 Ca -0.00 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 58.89 1t3k h ARG 84 Cb 0.08 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1t3k h ARG 84 CO 0.01 0.49 -0.80 0.07 -1.51 0.00 0.00 179.97 178.23 1t3k h ARG 85 N 0.63 0.64 0.00 0.20 0.11 -0.10 -2.55 114.38 113.32 1t3k h ARG 85 Ca 0.16 -0.61 -0.02 0.00 0.10 0.00 0.00 59.98 59.60 1t3k h ARG 85 Cb 0.07 0.16 -0.00 0.00 1.11 0.00 0.00 29.97 31.30 1t3k h ARG 85 CO -0.02 1.22 -0.10 1.25 0.10 0.00 0.00 179.97 182.42 1t3k h LEU 86 N 0.29 0.00 -1.00 0.08 6.46 -0.60 0.42 115.31 120.97 1t3k h LEU 86 Ca -0.08 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.61 1t3k h LEU 86 Cb 1.46 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.37 1t3k h LEU 86 CO 0.16 0.10 -0.03 0.58 -0.62 0.00 0.00 178.44 178.64 1t3k h VAL 87 N 0.00 1.23 0.00 1.05 2.07 -0.02 0.17 116.25 120.76 1t3k h VAL 87 Ca -0.00 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1t3k h VAL 87 Cb 0.23 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1t3k h VAL 87 CO 0.01 0.34 0.00 -0.55 0.02 0.00 0.00 177.57 177.39 1t3k h ASN 88 N 0.65 0.00 0.04 0.57 -1.07 0.23 0.25 115.58 116.25 1t3k h ASN 88 Ca 0.13 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.50 1t3k h ASN 88 Cb 0.44 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.69 1t3k h ASN 88 CO 0.02 0.00 -0.02 1.88 0.07 0.00 0.00 177.43 179.38 1t3k h TYR 89 N 0.00 -0.04 -0.40 4.14 -1.99 -0.13 -1.99 116.97 116.56 1t3k h TYR 89 Ca 0.00 -0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.84 1t3k h TYR 89 Cb 0.38 0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 1t3k h TYR 89 CO 0.00 -0.03 0.37 1.37 -0.00 0.00 0.00 178.16 179.87 1t3k h LEU 90 N -0.52 0.00 -1.05 3.88 -0.00 -1.20 1.50 115.31 117.92 1t3k h LEU 90 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 1t3k h LEU 90 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1t3k h LEU 90 CO 0.01 0.00 -0.47 -0.78 -0.00 0.00 0.00 178.44 177.20 1t3k h ASP 91 N 0.00 0.01 0.00 0.17 3.58 -0.53 0.79 116.42 120.44 1t3k h ASP 91 Ca 0.19 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.59 1t3k h ASP 91 Cb 0.93 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 1t3k h ASP 91 CO -0.00 0.48 -0.28 -0.08 -2.88 0.00 0.00 179.24 176.47 1t3k h GLU 92 N 0.01 0.00 0.00 0.28 4.81 0.28 -3.43 114.58 116.53 1t3k h GLU 92 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1t3k h GLU 92 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1t3k h GLU 92 CO 0.06 0.72 0.00 1.17 -0.73 0.00 0.00 179.01 180.23 1t3k n LYS 93 N -4.61 -0.41 -1.30 1.92 4.81 -0.15 -5.09 118.16 113.33 1t3k n LYS 93 Ca -0.12 -0.39 0.18 0.00 -0.87 0.00 0.00 58.31 57.11 1t3k n LYS 93 Cb 0.40 -0.82 -0.04 0.00 0.02 0.00 0.00 35.03 34.60 1t3k n LYS 93 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1t3k n LYS 94 N -0.03 -2.62 -3.71 1.64 4.76 0.28 -4.88 118.16 113.59 1t3k n LYS 94 Ca 0.00 1.72 -0.25 0.00 -2.87 0.00 0.00 58.31 56.92 1t3k n LYS 94 Cb 0.11 -3.19 0.05 0.00 -1.84 0.00 0.00 35.03 30.16 1t3k n LYS 94 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1t3k n GLU 95 N -4.03 -6.18 -2.23 1.97 4.71 -1.26 -4.70 120.64 108.92 1t3k n GLU 95 Ca 0.01 0.70 -0.40 0.00 -0.01 0.00 0.00 57.16 57.45 1t3k n GLU 95 Cb 0.59 -5.57 -0.03 0.00 -1.01 0.00 0.00 31.44 25.42 1t3k n GLU 95 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1t3k s ASP 96 N -3.72 5.75 0.00 1.62 1.11 -1.26 -4.45 116.67 115.72 1t3k s ASP 96 Ca 0.39 0.28 0.00 0.00 0.18 0.00 0.00 52.55 53.40 1t3k s ASP 96 Cb -0.19 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.26 1t3k s ASP 96 CO 0.79 -2.01 0.00 0.35 1.18 0.00 0.00 175.17 175.47 1t3k n THR 97 N 6.98 0.00 0.28 -1.27 -2.24 -1.26 -5.00 114.28 111.77 1t3k n THR 97 Ca 0.15 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.12 1t3k n THR 97 Cb 0.50 0.00 0.96 0.00 -2.10 0.00 0.00 70.33 69.70 1t3k n THR 97 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1t3k h GLY 98 N 0.00 0.00 -4.50 3.38 0.00 -1.75 -3.42 103.07 96.78 1t3k h GLY 98 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1t3k h GLY 98 CO 0.00 0.00 -0.03 -0.26 0.00 0.00 0.00 176.54 176.25 1t3k s ILE 99 N -3.90 4.74 0.26 2.60 -4.36 -1.25 -2.46 121.20 116.83 1t3k s ILE 99 Ca -0.03 1.17 -0.02 0.00 -0.26 0.00 0.00 60.65 61.51 1t3k s ILE 99 Cb 0.10 -3.88 0.28 0.00 1.25 0.00 0.00 42.46 40.21 1t3k s ILE 99 CO 0.35 0.49 1.66 0.50 0.24 0.00 0.00 174.94 178.18 1t3k h LYS 100 N 4.33 0.22 -2.45 0.37 1.63 0.47 -3.40 116.57 117.74 1t3k h LYS 100 Ca -0.49 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.22 1t3k h LYS 100 Cb 1.21 -0.05 -0.26 0.00 -0.60 0.00 0.00 32.23 32.53 1t3k h LYS 100 CO 0.64 0.14 -0.29 -0.80 -3.45 0.00 0.00 179.45 175.69 1t3k s ASN 101 N -5.17 -0.47 0.02 4.20 0.02 -1.21 -5.00 114.94 107.32 1t3k s ASN 101 Ca -0.13 1.07 -0.26 0.00 -1.02 0.00 0.00 52.86 52.53 1t3k s ASN 101 Cb 0.23 1.31 -0.05 0.00 0.02 0.00 0.00 41.25 42.77 1t3k s ASN 101 CO 0.76 -0.22 0.81 -0.63 0.02 0.00 0.00 177.10 177.84 1t3k s ILE 102 N 2.26 4.80 0.21 0.60 1.01 -1.25 -2.07 121.20 126.75 1t3k s ILE 102 Ca -0.05 1.70 -0.03 0.00 0.00 0.00 0.00 60.65 62.28 1t3k s ILE 102 Cb -0.11 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1t3k s ILE 102 CO -0.14 0.30 0.20 -0.04 0.00 0.00 0.00 174.94 175.26 1t3k s MET 103 N 0.30 1.29 0.10 2.79 -1.94 0.51 -2.20 119.30 120.14 1t3k s MET 103 Ca 0.41 -1.58 0.07 0.00 -1.71 0.00 0.00 55.69 52.88 1t3k s MET 103 Cb -0.20 0.31 -0.04 0.00 2.01 0.00 0.00 34.83 36.90 1t3k s MET 103 CO 0.23 -0.45 -0.11 -1.50 -0.01 0.00 0.00 175.02 173.18 1t3k s ILE 104 N -4.10 3.28 0.25 2.53 1.10 0.57 -2.04 121.20 122.79 1t3k s ILE 104 Ca 0.36 -1.30 -0.30 0.00 -0.51 0.00 0.00 60.65 58.90 1t3k s ILE 104 Cb 0.05 -2.53 -0.09 0.00 0.15 0.00 0.00 42.46 40.05 1t3k s ILE 104 CO 0.12 0.11 1.15 -0.76 -2.11 0.00 0.00 174.94 173.45 1t3k s LEU 105 N -2.18 4.51 0.00 8.50 1.43 -1.12 -1.74 118.68 128.08 1t3k s LEU 105 Ca 0.21 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 1t3k s LEU 105 Cb -0.11 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1t3k s LEU 105 CO 0.13 -0.25 0.40 -1.84 0.23 0.00 0.00 176.35 175.01 1t3k n GLU 106 N 1.58 0.00 0.00 1.70 0.28 -0.87 -4.41 120.64 118.92 1t3k n GLU 106 Ca 0.01 0.05 0.08 0.00 -0.16 0.00 0.00 57.16 57.13 1t3k n GLU 106 Cb 0.44 -0.90 -0.00 0.00 1.43 0.00 0.00 31.44 32.42 1t3k n GLU 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1t3k n ARG 107 N -0.44 1.71 -3.87 3.44 1.74 -1.26 -4.87 116.66 113.11 1t3k n ARG 107 Ca 0.00 -0.79 -0.27 0.00 -0.77 0.00 0.00 57.85 56.01 1t3k n ARG 107 Cb 0.00 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1t3k n ARG 107 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t3k n GLY 108 N 1.12 -0.45 2.18 -0.13 0.00 -1.26 0.86 105.19 107.52 1t3k n GLY 108 Ca 0.06 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 1t3k n GLY 108 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1t3k n PHE 109 N -4.36 -0.27 -0.36 1.61 -1.74 -1.26 -3.56 117.46 107.52 1t3k n PHE 109 Ca -0.25 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 56.67 1t3k n PHE 109 Cb 0.66 -2.60 0.19 0.00 1.52 0.00 0.00 39.48 39.24 1t3k n PHE 109 CO 0.00 0.00 0.00 -0.97 -0.56 0.00 0.00 176.76 175.23 1t3k h ASN 110 N 0.00 1.02 0.14 5.98 -0.73 0.20 0.36 115.58 122.56 1t3k h ASN 110 Ca -0.26 0.01 -0.08 0.00 1.87 0.00 0.00 56.30 57.84 1t3k h ASN 110 Cb 0.92 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.29 1t3k h ASN 110 CO 0.39 0.66 -0.27 1.23 -0.37 0.00 0.00 177.43 179.07 1t3k h GLY 111 N 1.16 0.23 0.80 1.57 0.00 -1.87 -0.08 103.07 104.89 1t3k h GLY 111 Ca 0.42 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 1t3k h GLY 111 CO -0.16 0.16 -0.22 -0.25 0.00 0.00 0.00 176.54 176.07 1t3k h TRP 112 N 0.20 -0.59 0.05 5.60 7.01 -0.66 2.13 115.95 129.68 1t3k h TRP 112 Ca 0.03 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1t3k h TRP 112 Cb 0.59 0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.87 1t3k h TRP 112 CO 0.01 -0.34 -0.02 1.49 -2.79 0.00 0.00 178.44 176.78 1t3k h GLU 113 N -0.52 -0.07 -0.49 2.65 4.81 -1.27 -3.31 114.58 116.40 1t3k h GLU 113 Ca -0.02 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1t3k h GLU 113 Cb 0.46 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1t3k h GLU 113 CO -0.02 0.31 -0.04 0.00 -0.73 0.00 0.00 179.01 178.54 1t3k h ALA 114 N 0.46 0.67 -1.66 2.92 0.00 -0.96 -3.20 119.26 117.49 1t3k h ALA 114 Ca -0.01 -0.30 0.48 0.00 0.00 0.00 0.00 54.91 55.08 1t3k h ALA 114 Cb 0.41 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1t3k h ALA 114 CO 0.01 0.51 1.28 0.43 0.00 0.00 0.00 179.25 181.47 1t3k n SER 115 N -4.29 0.00 0.00 0.00 7.64 0.72 -4.69 113.62 112.99 1t3k n SER 115 Ca 0.01 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1t3k n SER 115 Cb 0.34 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1t3k n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3k n GLY 116 N -1.81 1.66 3.69 0.23 0.00 -1.21 -5.06 105.19 102.68 1t3k n GLY 116 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 1t3k n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t3k s LYS 117 N -0.09 4.19 1.06 1.61 -2.85 -1.26 -4.96 119.74 117.44 1t3k s LYS 117 Ca 0.00 2.36 -0.18 0.00 -1.00 0.00 0.00 55.97 57.15 1t3k s LYS 117 Cb 0.00 -3.66 0.05 0.00 -2.06 0.00 0.00 37.83 32.16 1t3k s LYS 117 CO 0.00 -0.77 -0.10 -0.35 0.10 0.00 0.00 175.35 174.24 1t3k n PRO 118 N 5.83 -1.06 -3.42 1.78 -0.04 -1.26 -4.63 135.00 132.20 1t3k n PRO 118 Ca 0.16 -0.29 -0.33 0.00 -0.04 0.00 0.00 63.50 63.00 1t3k n PRO 118 Cb 0.40 -1.63 -0.05 0.00 -0.04 0.00 0.00 33.50 32.18 1t3k n PRO 118 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1t3k s VAL 119 N -2.24 4.93 0.00 0.52 -7.23 -1.26 -4.86 120.40 110.26 1t3k s VAL 119 Ca 0.53 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 61.28 1t3k s VAL 119 Cb -0.12 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1t3k s VAL 119 CO 0.67 0.08 0.00 0.00 -0.31 0.00 0.00 175.10 175.54 1t3k n ARG 121 N 0.00 0.00 0.00 0.00 0.63 -1.26 -4.86 116.66 111.17 1t3k n ARG 121 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1t3k n ARG 121 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1t3k n ARG 121 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1t3k n ALA 123 N 0.55 0.00 -3.00 0.00 0.00 -1.26 -5.14 120.51 111.66 1t3k n ALA 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t3k n ALA 123 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1t3k n ALA 123 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1t3k n GLU 124 N 0.00 0.00 -1.27 0.00 0.28 -1.26 -5.13 120.64 113.26 1t3k n GLU 124 Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.16 57.15 1t3k n GLU 124 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1t3k n GLU 124 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1t3k n VAL 125 N 0.00 -0.26 -0.89 3.84 0.24 -1.26 -3.95 118.33 116.05 1t3k n VAL 125 Ca 0.00 0.52 -0.41 0.00 -2.04 0.00 0.00 64.34 62.41 1t3k n VAL 125 Cb 0.00 -0.92 -0.09 0.00 -1.47 0.00 0.00 33.84 31.36 1t3k n VAL 125 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1t3k n PRO 126 N -3.94 0.63 0.00 7.34 -0.02 -1.26 -4.81 135.00 132.94 1t3k n PRO 126 Ca -0.05 -1.43 0.00 0.00 -2.02 0.00 0.00 63.50 60.00 1t3k n PRO 126 Cb 0.62 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1t3k n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t3k n LYS 128 N -0.49 -0.52 0.24 0.00 3.00 -1.26 -5.04 118.16 114.08 1t3k n LYS 128 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1t3k n LYS 128 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1t3k n LYS 128 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1t3k h GLY 129 N 0.00 -0.83 -7.07 3.14 0.00 -1.64 -3.43 103.07 93.23 1t3k h GLY 129 Ca 0.00 0.33 -0.37 0.00 0.00 0.00 0.00 47.33 47.29 1t3k h GLY 129 CO 0.00 -0.29 -0.70 0.51 0.00 0.00 0.00 176.54 176.06 1t3k s ASP 130 N -3.14 1.44 -0.09 0.19 1.47 0.50 -4.72 116.67 112.31 1t3k s ASP 130 Ca -0.10 -0.10 -0.04 0.00 1.18 0.00 0.00 52.55 53.49 1t3k s ASP 130 Cb 0.01 -0.01 -0.26 0.00 -0.34 0.00 0.00 42.92 42.33 1t3k s ASP 130 CO 0.31 -0.29 0.47 0.00 0.68 0.00 0.00 175.17 176.35