#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 -3.12 -3.58 3.17 0.00 -1.26 -5.08 120.51 110.64 1t3k n ALA 2 Ca 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 53.44 54.13 1t3k n ALA 2 Cb 0.00 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.27 1t3k n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3k s MET 3 N -1.86 0.50 0.00 0.00 0.00 -1.26 -5.18 119.30 111.51 1t3k s MET 3 Ca 0.12 1.15 0.00 0.00 0.00 0.00 0.00 55.69 56.96 1t3k s MET 3 Cb -0.03 0.56 0.00 0.00 0.00 0.00 0.00 34.83 35.36 1t3k s MET 3 CO 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 175.02 175.43 1t3k n ALA 4 N 4.96 0.00 -0.57 3.16 0.00 -1.26 -5.06 120.51 121.75 1t3k n ALA 4 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1t3k n ALA 4 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 1t3k n ALA 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1t3k n ARG 5 N -0.35 -1.45 -0.11 0.00 1.74 -1.26 -4.92 116.66 110.31 1t3k n ARG 5 Ca 0.00 1.14 -0.22 0.00 -0.77 0.00 0.00 57.85 58.00 1t3k n ARG 5 Cb 0.00 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 29.86 1t3k n ARG 5 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1t3k n SER 6 N -2.20 1.89 -3.41 0.55 7.64 -1.26 -4.98 113.62 111.85 1t3k n SER 6 Ca -0.01 0.41 -0.17 0.00 1.01 0.00 0.00 58.87 60.11 1t3k n SER 6 Cb 0.20 -0.90 0.17 0.00 -1.01 0.00 0.00 64.21 62.68 1t3k n SER 6 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1t3k n ILE 7 N -4.40 0.00 -4.65 0.44 -0.00 -1.26 -5.01 119.36 104.48 1t3k n ILE 7 Ca -0.36 0.00 -0.26 0.00 -0.00 0.00 0.00 62.75 62.14 1t3k n ILE 7 Cb 0.69 -0.56 -0.17 0.00 -0.00 0.00 0.00 39.64 39.60 1t3k n ILE 7 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1t3k s SER 8 N -2.23 1.96 0.27 7.28 0.01 -0.97 -4.96 113.70 115.07 1t3k s SER 8 Ca 0.38 -0.33 -0.06 0.00 1.31 0.00 0.00 55.95 57.25 1t3k s SER 8 Cb -0.07 -0.91 -0.05 0.00 0.21 0.00 0.00 66.02 65.20 1t3k s SER 8 CO 0.32 0.05 0.54 -0.72 0.41 0.00 0.00 173.24 173.83 1t3k s TYR 9 N 0.65 3.47 -0.06 2.43 -0.85 -1.26 -0.18 117.35 121.55 1t3k s TYR 9 Ca -0.15 0.66 0.04 0.00 -0.52 0.00 0.00 57.07 57.11 1t3k s TYR 9 Cb -0.16 -2.12 0.00 0.00 0.38 0.00 0.00 41.96 40.07 1t3k s TYR 9 CO 0.04 0.21 -0.17 0.96 -1.52 0.00 0.00 175.55 175.07 1t3k s ILE 10 N -2.01 1.46 0.51 -3.49 -5.25 -0.81 -4.81 121.20 106.80 1t3k s ILE 10 Ca 0.44 -0.71 0.04 0.00 -0.99 0.00 0.00 60.65 59.43 1t3k s ILE 10 Cb -0.11 -1.27 0.03 0.00 2.95 0.00 0.00 42.46 44.06 1t3k s ILE 10 CO 0.28 0.42 0.71 -0.89 -1.79 0.00 0.00 174.94 173.67 1t3k s THR 11 N 0.23 2.76 0.25 8.37 2.01 -1.26 -3.77 115.64 124.23 1t3k s THR 11 Ca -0.09 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 1t3k s THR 11 Cb -0.14 -2.96 0.17 0.00 0.01 0.00 0.00 72.50 69.58 1t3k s THR 11 CO 0.04 0.00 1.82 0.77 -0.69 0.00 0.00 174.62 176.56 1t3k h SER 12 N 0.26 0.98 0.36 3.53 4.64 -2.01 -2.50 113.55 118.82 1t3k h SER 12 Ca -0.41 -0.14 -0.22 0.00 -0.47 0.00 0.00 61.79 60.55 1t3k h SER 12 Cb 1.29 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1t3k h SER 12 CO 0.49 0.87 -0.94 0.71 -0.87 0.00 0.00 176.83 177.09 1t3k h THR 13 N 1.05 1.41 -0.03 2.95 1.35 -2.02 -3.00 112.91 114.61 1t3k h THR 13 Ca 0.24 -2.47 0.01 0.00 -0.55 0.00 0.00 66.41 63.64 1t3k h THR 13 Cb 0.19 2.43 -0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1t3k h THR 13 CO -0.02 0.74 0.20 1.56 -0.25 0.00 0.00 175.52 177.74 1t3k h GLN 14 N 0.22 0.00 0.00 4.72 1.08 -1.83 0.86 115.11 120.15 1t3k h GLN 14 Ca -0.08 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.01 1t3k h GLN 14 Cb 1.57 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.99 1t3k h GLN 14 CO 0.16 0.00 -0.54 1.25 -0.95 0.00 0.00 178.83 178.75 1t3k h LEU 15 N 0.00 0.00 0.25 1.46 6.46 -1.36 -2.01 115.31 120.10 1t3k h LEU 15 Ca 0.01 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1t3k h LEU 15 Cb 0.41 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 1t3k h LEU 15 CO -0.00 0.54 -0.18 0.25 -0.62 0.00 0.00 178.44 178.44 1t3k h LEU 16 N 0.00 -0.45 0.18 2.25 5.85 0.63 -0.84 115.31 122.93 1t3k h LEU 16 Ca -0.01 0.03 -0.25 0.00 0.84 0.00 0.00 57.88 58.50 1t3k h LEU 16 Cb 1.16 0.14 0.03 0.00 0.37 0.00 0.00 40.66 42.36 1t3k h LEU 16 CO 0.07 -0.28 -1.11 1.55 -0.34 0.00 0.00 178.44 178.33 1t3k h PRO 17 N -0.43 0.39 -0.03 5.25 0.13 -1.64 -3.29 132.00 132.38 1t3k h PRO 17 Ca -0.02 -0.66 0.01 0.00 -0.87 0.00 0.00 66.00 64.46 1t3k h PRO 17 Cb 0.37 0.25 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 1t3k h PRO 17 CO 0.00 1.32 0.03 1.25 -0.23 0.00 0.00 178.00 180.37 1t3k h LEU 18 N -0.17 0.00 0.00 1.56 7.12 -1.41 -3.45 115.31 118.95 1t3k h LEU 18 Ca -0.20 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.81 1t3k h LEU 18 Cb 1.85 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.98 1t3k h LEU 18 CO 0.19 0.00 0.00 1.41 -0.13 0.00 0.00 178.44 179.91 1t3k n HIS 19 N -3.78 0.00 0.00 1.25 8.25 -0.32 -3.45 115.22 117.17 1t3k n HIS 19 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1t3k n HIS 19 Cb 0.12 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1t3k n HIS 19 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1t3k n ARG 20 N -1.92 0.00 -2.01 -0.41 1.85 -1.22 -4.82 116.66 108.13 1t3k n ARG 20 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1t3k n ARG 20 Cb 0.04 -0.17 0.00 0.00 -1.05 0.00 0.00 32.46 31.28 1t3k n ARG 20 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1t3k n ARG 21 N -0.52 -5.51 0.20 2.89 3.00 -1.22 -4.72 116.66 110.78 1t3k n ARG 21 Ca 0.00 3.93 -0.15 0.00 -0.00 0.00 0.00 57.85 61.63 1t3k n ARG 21 Cb 0.00 -4.26 -0.07 0.00 0.00 0.00 0.00 32.46 28.13 1t3k n ARG 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1t3k h PRO 22 N 3.89 -0.63 -4.44 -0.14 0.11 -1.94 -3.26 132.00 125.58 1t3k h PRO 22 Ca 0.00 0.04 -0.55 0.00 0.11 0.00 0.00 66.00 65.60 1t3k h PRO 22 Cb 0.00 0.14 0.07 0.00 0.11 0.00 0.00 31.00 31.32 1t3k h PRO 22 CO 0.00 -0.42 2.01 0.27 -0.21 0.00 0.00 178.00 179.65 1t3k n ASN 23 N -5.43 2.25 -3.96 -2.05 6.94 -1.26 -4.82 115.26 106.93 1t3k n ASN 23 Ca -0.09 -2.54 -0.17 0.00 -0.02 0.00 0.00 54.58 51.77 1t3k n ASN 23 Cb 0.34 -0.91 -0.15 0.00 -2.36 0.00 0.00 39.78 36.70 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1t3k s ILE 24 N 5.30 0.46 -0.14 1.53 -1.09 -1.23 -0.54 121.20 125.50 1t3k s ILE 24 Ca 0.54 -0.23 -0.25 0.00 -2.23 0.00 0.00 60.65 58.47 1t3k s ILE 24 Cb 0.13 -0.40 0.06 0.00 -1.58 0.00 0.00 42.46 40.67 1t3k s ILE 24 CO 0.15 0.14 0.62 0.00 -1.23 0.00 0.00 174.94 174.62 1t3k s ALA 25 N -0.03 -1.58 -0.15 9.38 0.00 0.12 -4.86 121.76 124.64 1t3k s ALA 25 Ca 0.01 1.44 -0.06 0.00 0.00 0.00 0.00 51.96 53.36 1t3k s ALA 25 Cb -0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1t3k s ALA 25 CO -0.00 -0.33 0.04 0.42 0.00 0.00 0.00 175.76 175.89 1t3k s ILE 26 N -0.49 4.60 -0.10 0.00 1.01 -1.26 -1.41 121.20 123.55 1t3k s ILE 26 Ca -0.06 -0.11 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 1t3k s ILE 26 Cb -0.03 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 1t3k s ILE 26 CO 0.05 0.51 0.34 -0.63 0.00 0.00 0.00 174.94 175.22 1t3k s ILE 27 N -0.02 5.22 0.18 2.92 1.01 0.51 -1.80 121.20 129.22 1t3k s ILE 27 Ca 0.05 0.67 0.04 0.00 0.00 0.00 0.00 60.65 61.41 1t3k s ILE 27 Cb -0.12 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 1t3k s ILE 27 CO 0.01 0.47 -0.05 -1.81 0.00 0.00 0.00 174.94 173.56 1t3k s ASP 28 N -0.18 1.69 -0.03 3.58 1.01 -0.67 -1.73 116.67 120.35 1t3k s ASP 28 Ca 0.20 -1.10 -0.02 0.00 0.71 0.00 0.00 52.55 52.33 1t3k s ASP 28 Cb -0.14 0.02 0.01 0.00 1.01 0.00 0.00 42.92 43.82 1t3k s ASP 28 CO 0.08 -0.43 0.07 0.68 0.21 0.00 0.00 175.17 175.78 1t3k s VAL 29 N -3.42 -0.01 0.00 -1.27 -7.23 -1.25 -1.19 120.40 106.04 1t3k s VAL 29 Ca 0.21 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 1t3k s VAL 29 Cb 0.04 -0.11 0.00 0.00 0.56 0.00 0.00 36.38 36.87 1t3k s VAL 29 CO 0.04 0.01 0.00 0.54 -0.31 0.00 0.00 175.10 175.37 1t3k n ARG 30 N 3.18 0.00 0.00 4.82 3.00 -0.74 -4.57 116.66 122.35 1t3k n ARG 30 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.70 1t3k n ARG 30 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 1t3k n ARG 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1t3k n ASP 31 N -1.20 0.00 -0.22 0.55 -0.08 -1.23 -4.34 116.55 110.03 1t3k n ASP 31 Ca 0.00 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.41 1t3k n ASP 31 Cb 0.00 0.00 0.24 0.00 2.34 0.00 0.00 41.12 43.70 1t3k n ASP 31 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1t3k n GLU 32 N 0.00 -0.05 0.21 -0.67 0.00 -1.26 0.17 120.64 119.03 1t3k n GLU 32 Ca 0.00 0.97 0.15 0.00 0.00 0.00 0.00 57.16 58.28 1t3k n GLU 32 Cb 0.00 -1.58 0.79 0.00 0.00 0.00 0.00 31.44 30.65 1t3k n GLU 32 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1t3k h GLU 33 N 0.00 0.00 0.03 5.31 4.11 -1.94 0.73 114.58 122.82 1t3k h GLU 33 Ca 0.44 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.71 1t3k h GLU 33 Cb 0.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1t3k h GLU 33 CO -0.59 0.00 -0.81 -0.09 0.07 0.00 0.00 179.01 177.59 1t3k h ARG 34 N 0.00 0.06 0.14 1.06 1.12 0.14 -3.24 114.38 113.66 1t3k h ARG 34 Ca 0.07 -0.11 -0.32 0.00 -1.11 0.00 0.00 59.98 58.52 1t3k h ARG 34 Cb 0.36 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.36 1t3k h ARG 34 CO -0.00 1.05 -1.57 -0.91 -3.11 0.00 0.00 179.97 175.43 1t3k h ASN 35 N -0.83 0.46 0.09 -3.80 2.35 -1.32 -3.18 115.58 109.35 1t3k h ASN 35 Ca -0.20 -0.63 -0.21 0.00 -0.55 0.00 0.00 56.30 54.70 1t3k h ASN 35 Cb 1.30 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.52 1t3k h ASN 35 CO -0.06 1.53 -1.06 1.88 -1.65 0.00 0.00 177.43 178.07 1t3k h TYR 36 N 0.08 0.35 -1.26 1.19 -1.99 0.25 -3.40 116.97 112.20 1t3k h TYR 36 Ca -0.26 -0.26 -0.58 0.00 2.00 0.00 0.00 58.73 59.63 1t3k h TYR 36 Cb 2.04 -0.01 -0.42 0.00 2.00 0.00 0.00 36.73 40.34 1t3k h TYR 36 CO 0.07 1.41 -0.69 -0.40 -0.00 0.00 0.00 178.16 178.56 1t3k n ASP 37 N -4.13 4.91 -3.63 3.88 5.75 -1.17 -5.02 116.55 117.13 1t3k n ASP 37 Ca -0.21 -3.73 -0.03 0.00 -0.01 0.00 0.00 54.79 50.80 1t3k n ASP 37 Cb 0.80 -0.44 -0.04 0.00 -1.03 0.00 0.00 41.12 40.40 1t3k n ASP 37 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1t3k s GLY 38 N -3.47 0.03 -0.02 6.12 0.00 -1.20 -4.79 107.32 103.99 1t3k s GLY 38 Ca 0.49 2.70 0.04 0.00 0.00 0.00 0.00 44.72 47.96 1t3k s GLY 38 CO -0.11 1.09 1.06 1.42 0.00 0.00 0.00 173.10 176.55 1t3k n HIS 39 N 0.54 0.07 -1.51 1.90 8.25 -1.26 -4.27 115.22 118.95 1t3k n HIS 39 Ca -0.02 -0.58 -0.21 0.00 -0.26 0.00 0.00 57.72 56.66 1t3k n HIS 39 Cb 0.59 -0.07 -0.20 0.00 1.12 0.00 0.00 29.99 31.43 1t3k n HIS 39 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1t3k n ILE 40 N -0.52 -0.00 -3.68 1.59 0.13 -1.26 -4.64 119.36 110.98 1t3k n ILE 40 Ca 0.04 -0.49 -0.37 0.00 -1.10 0.00 0.00 62.75 60.83 1t3k n ILE 40 Cb 0.33 -0.39 -0.06 0.00 -0.84 0.00 0.00 39.64 38.68 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1t3k s ALA 41 N 2.95 3.74 0.00 1.51 0.00 -1.21 -4.84 121.76 123.90 1t3k s ALA 41 Ca 1.25 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1t3k s ALA 41 Cb -0.72 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1t3k s ALA 41 CO 0.48 0.41 0.00 0.41 0.00 0.00 0.00 175.76 177.05 1t3k n GLY 42 N 2.43 0.12 0.00 0.00 0.00 0.90 -2.70 105.19 105.94 1t3k n GLY 42 Ca -0.16 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1t3k n GLY 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t3k n SER 43 N 0.00 0.00 -3.94 1.61 3.41 -1.26 -3.68 113.62 109.77 1t3k n SER 43 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1t3k n SER 43 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1t3k n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1t3k s LEU 44 N 0.00 1.83 0.08 1.04 2.01 -0.74 -4.86 118.68 118.03 1t3k s LEU 44 Ca 0.00 -0.71 0.08 0.00 0.01 0.00 0.00 54.13 53.51 1t3k s LEU 44 Cb 0.00 -1.04 -0.03 0.00 0.01 0.00 0.00 46.19 45.13 1t3k s LEU 44 CO 0.00 -0.16 -0.22 -2.28 1.01 0.00 0.00 176.35 174.70 1t3k s HIS 45 N 1.54 1.90 0.00 0.29 5.65 -1.26 -1.67 115.29 121.74 1t3k s HIS 45 Ca 0.01 -0.39 0.00 0.00 0.25 0.00 0.00 55.06 54.92 1t3k s HIS 45 Cb -0.15 -1.09 0.00 0.00 -1.18 0.00 0.00 32.58 30.16 1t3k s HIS 45 CO -0.08 0.17 0.00 2.48 -0.65 0.00 0.00 174.74 176.66 1t3k n TYR 46 N 1.44 0.00 -3.20 3.88 4.11 -0.33 -4.93 117.16 118.13 1t3k n TYR 46 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 1t3k n TYR 46 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1t3k n TYR 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1t3k n ALA 47 N -3.00 0.00 0.08 -3.48 0.00 -1.26 -1.79 120.51 111.06 1t3k n ALA 47 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1t3k n ALA 47 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 1t3k n ALA 47 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t3k n SER 48 N -0.72 3.39 0.06 0.00 7.64 -1.26 -2.43 113.62 120.30 1t3k n SER 48 Ca 0.00 -2.26 0.09 0.00 1.01 0.00 0.00 58.87 57.71 1t3k n SER 48 Cb 0.00 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 62.68 1t3k n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3k n GLY 49 N 0.96 -1.31 1.80 0.23 0.00 -1.26 -4.39 105.19 101.22 1t3k n GLY 49 Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 1t3k n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t3k n SER 50 N -2.62 0.16 0.26 1.61 7.64 -1.25 -4.90 113.62 114.52 1t3k n SER 50 Ca -0.03 -2.04 0.18 0.00 1.01 0.00 0.00 58.87 57.99 1t3k n SER 50 Cb 0.61 -0.01 0.91 0.00 -1.01 0.00 0.00 64.21 64.71 1t3k n SER 50 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 1t3k h PHE 51 N 1.03 0.00 -0.80 1.43 -5.15 -1.68 0.81 116.94 112.57 1t3k h PHE 51 Ca -0.34 0.00 -0.45 0.00 -0.20 0.00 0.00 57.97 56.98 1t3k h PHE 51 Cb 1.54 0.00 -0.24 0.00 0.22 0.00 0.00 35.95 37.47 1t3k h PHE 51 CO 0.10 0.00 0.57 -3.47 -2.00 0.00 0.00 178.31 173.51 1t3k n ASP 52 N -3.58 4.57 0.00 -0.68 -0.08 -1.26 -3.99 116.55 111.53 1t3k n ASP 52 Ca -0.00 -3.35 0.00 0.00 -1.51 0.00 0.00 54.79 49.93 1t3k n ASP 52 Cb 0.25 -0.84 0.00 0.00 2.34 0.00 0.00 41.12 42.87 1t3k n ASP 52 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1t3k n ASP 53 N -0.72 0.17 -0.26 1.67 9.92 0.28 -4.76 116.55 122.84 1t3k n ASP 53 Ca 0.49 -0.50 0.03 0.00 -0.53 0.00 0.00 54.79 54.27 1t3k n ASP 53 Cb 1.23 0.48 0.04 0.00 -0.64 0.00 0.00 41.12 42.23 1t3k n ASP 53 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1t3k n LYS 54 N -0.48 0.60 -0.06 -1.24 4.76 -1.26 -4.72 118.16 115.75 1t3k n LYS 54 Ca 0.00 -1.36 -0.07 0.00 -2.87 0.00 0.00 58.31 54.01 1t3k n LYS 54 Cb 0.02 -0.80 -0.06 0.00 -1.84 0.00 0.00 35.03 32.35 1t3k n LYS 54 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1t3k h ILE 55 N 3.91 0.80 0.00 -0.18 2.04 -1.86 -3.06 117.51 119.14 1t3k h ILE 55 Ca 0.00 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.25 1t3k h ILE 55 Cb 1.15 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1t3k h ILE 55 CO 0.00 0.27 0.00 -0.24 0.00 0.00 0.00 178.15 178.18 1t3k n SER 56 N -4.70 0.00 -0.02 1.72 2.88 -1.26 -2.09 113.62 110.16 1t3k n SER 56 Ca -0.05 0.39 -0.12 0.00 -1.33 0.00 0.00 58.87 57.75 1t3k n SER 56 Cb 0.23 -0.45 -0.10 0.00 -0.75 0.00 0.00 64.21 63.13 1t3k n SER 56 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1t3k h HIS 57 N 0.00 -0.05 -0.22 0.66 6.17 -1.85 0.32 115.15 120.19 1t3k h HIS 57 Ca 0.00 -0.00 -0.12 0.00 0.71 0.00 0.00 60.37 60.96 1t3k h HIS 57 Cb 0.32 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.26 1t3k h HIS 57 CO 0.00 0.58 -0.38 -0.07 0.71 0.00 0.00 177.93 178.77 1t3k h LEU 58 N -0.77 0.51 -0.48 0.26 -0.00 -1.42 -1.93 115.31 111.48 1t3k h LEU 58 Ca -0.01 -0.22 -0.17 0.00 -0.00 0.00 0.00 57.88 57.49 1t3k h LEU 58 Cb 0.65 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.17 1t3k h LEU 58 CO 0.01 0.85 -0.58 0.58 -0.00 0.00 0.00 178.44 179.30 1t3k h VAL 59 N 0.41 1.33 -0.00 1.22 2.07 -1.46 -2.86 116.25 116.95 1t3k h VAL 59 Ca 0.04 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.72 1t3k h VAL 59 Cb 0.85 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1t3k h VAL 59 CO 0.07 0.57 -0.12 0.00 0.02 0.00 0.00 177.57 178.11 1t3k n GLN 60 N -3.94 0.29 -0.09 1.57 1.13 0.11 -3.84 117.38 112.60 1t3k n GLN 60 Ca -0.03 -0.07 -0.13 0.00 -1.94 0.00 0.00 57.00 54.82 1t3k n GLN 60 Cb 0.62 -1.50 -0.15 0.00 0.11 0.00 0.00 30.24 29.33 1t3k n GLN 60 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1t3k n ASN 61 N -1.29 0.79 0.00 1.08 5.03 -0.74 -4.99 115.26 115.14 1t3k n ASN 61 Ca 0.10 0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.58 1t3k n ASN 61 Cb 0.30 0.36 0.00 0.00 -1.02 0.00 0.00 39.78 39.42 1t3k n ASN 61 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1t3k n VAL 62 N -2.97 0.00 -4.09 2.41 0.31 -1.09 -4.56 118.33 108.33 1t3k n VAL 62 Ca -0.34 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.65 1t3k n VAL 62 Cb 1.09 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.99 1t3k n VAL 62 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1t3k n LYS 63 N 0.00 -1.34 -0.38 5.55 4.01 -1.23 -4.06 118.16 120.71 1t3k n LYS 63 Ca 0.00 0.20 -0.02 0.00 -0.51 0.00 0.00 58.31 57.98 1t3k n LYS 63 Cb 0.00 -3.57 0.02 0.00 -0.51 0.00 0.00 35.03 30.97 1t3k n LYS 63 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1t3k n ASP 64 N -2.69 -0.69 -3.71 4.39 9.92 -1.26 -2.11 116.55 120.42 1t3k n ASP 64 Ca -0.24 1.70 -0.32 0.00 -0.53 0.00 0.00 54.79 55.40 1t3k n ASP 64 Cb 0.65 -0.37 -0.06 0.00 -0.64 0.00 0.00 41.12 40.70 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 -5.40 2.88 -3.63 -1.24 4.01 -1.26 -4.75 118.16 108.78 1t3k n LYS 65 Ca 0.09 -4.60 -0.07 0.00 -0.51 0.00 0.00 58.31 53.22 1t3k n LYS 65 Cb 0.37 -2.34 -0.08 0.00 -0.51 0.00 0.00 35.03 32.47 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 -1.86 -0.42 -0.07 4.39 1.11 -0.90 -4.39 116.67 114.54 1t3k s ASP 66 Ca 0.34 1.06 0.02 0.00 0.18 0.00 0.00 52.55 54.16 1t3k s ASP 66 Cb 0.07 1.54 -0.03 0.00 1.07 0.00 0.00 42.92 45.58 1t3k s ASP 66 CO -0.02 -0.23 -0.13 0.42 1.18 0.00 0.00 175.17 176.39 1t3k s THR 67 N 2.67 3.20 -0.07 -1.27 -4.23 0.30 0.33 115.64 116.57 1t3k s THR 67 Ca -0.01 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.86 1t3k s THR 67 Cb -0.12 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.45 1t3k s THR 67 CO -0.14 0.58 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.61 1t3k s LEU 68 N -0.59 1.78 -0.22 4.79 1.43 -0.69 0.11 118.68 125.29 1t3k s LEU 68 Ca 0.08 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 1t3k s LEU 68 Cb -0.11 -0.97 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 1t3k s LEU 68 CO 0.01 0.08 -0.03 0.54 0.23 0.00 0.00 176.35 177.18 1t3k s VAL 69 N 0.51 3.47 0.17 -1.59 0.11 -0.50 -1.53 120.40 121.03 1t3k s VAL 69 Ca -0.14 -0.46 0.04 0.00 -2.93 0.00 0.00 61.98 58.49 1t3k s VAL 69 Cb -0.16 -2.58 -0.04 0.00 -1.53 0.00 0.00 36.38 32.07 1t3k s VAL 69 CO 0.05 0.41 0.23 0.72 -3.33 0.00 0.00 175.10 173.18 1t3k s PHE 70 N 1.49 3.33 0.00 1.54 -0.71 -0.65 -0.36 117.98 122.62 1t3k s PHE 70 Ca 0.06 0.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.99 1t3k s PHE 70 Cb -0.14 -1.59 0.00 0.00 -1.21 0.00 0.00 43.02 40.08 1t3k s PHE 70 CO -0.03 0.51 0.00 0.72 -1.34 0.00 0.00 175.22 175.09 1t3k n HIS 71 N -0.56 0.00 0.00 3.49 8.25 -0.70 -3.65 115.22 122.05 1t3k n HIS 71 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1t3k n HIS 71 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1t3k n HIS 71 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1t3k n SER 72 N 0.00 0.00 -0.20 0.41 2.88 -1.26 -4.23 113.62 111.22 1t3k n SER 72 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1t3k n SER 72 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 0.33 -0.30 0.01 -1.46 0.00 -1.26 0.10 120.51 117.93 1t3k n ALA 73 Ca 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.81 1t3k n ALA 73 Cb 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 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 -4.07 1.03 -1.28 0.00 7.99 -1.26 -4.46 117.00 114.94 1t3k n LEU 74 Ca 0.01 0.15 -0.17 0.00 -0.01 0.00 0.00 56.01 55.99 1t3k n LEU 74 Cb 0.12 -0.35 -0.07 0.00 -0.11 0.00 0.00 43.42 43.01 1t3k n LEU 74 CO -0.08 -0.43 -0.16 -1.20 -1.51 0.00 0.00 177.39 174.02 1t3k n SER 75 N -3.57 -5.34 0.00 -1.43 7.64 -1.26 -4.65 113.62 105.01 1t3k n SER 75 Ca -0.05 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1t3k n SER 75 Cb 0.25 -4.32 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 1t3k n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t3k n GLN 76 N -2.07 0.00 -0.00 1.43 6.02 -1.26 -4.62 117.38 116.87 1t3k n GLN 76 Ca -0.17 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.84 1t3k n GLN 76 Cb 0.60 -0.02 -0.03 0.00 1.02 0.00 0.00 30.24 31.82 1t3k n GLN 76 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1t3k n VAL 77 N -1.32 0.00 0.16 5.09 3.14 -1.26 -4.59 118.33 119.55 1t3k n VAL 77 Ca 0.00 -0.25 0.04 0.00 -2.96 0.00 0.00 64.34 61.17 1t3k n VAL 77 Cb 0.00 0.71 0.13 0.00 -1.06 0.00 0.00 33.84 33.63 1t3k n VAL 77 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1t3k h ARG 78 N 0.00 0.00 -0.47 1.45 2.43 -1.93 -3.36 114.38 112.50 1t3k h ARG 78 Ca 0.00 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1t3k h ARG 78 Cb 0.14 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 1t3k h ARG 78 CO 0.00 0.43 -0.19 0.41 -1.51 0.00 0.00 179.97 179.11 1t3k n GLY 79 N 0.94 -0.97 0.34 2.80 0.00 -1.26 0.35 105.19 107.39 1t3k n GLY 79 Ca 0.02 0.52 0.05 0.00 0.00 0.00 0.00 46.02 46.61 1t3k n GLY 79 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1t3k h PRO 80 N 0.00 0.90 -0.75 1.61 0.11 -1.94 0.00 132.00 131.94 1t3k h PRO 80 Ca 0.16 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.22 1t3k h PRO 80 Cb 0.27 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.14 1t3k h PRO 80 CO -0.46 0.59 0.49 1.15 -0.21 0.00 0.00 178.00 179.57 1t3k h THR 81 N 0.93 1.18 -0.79 -1.15 2.02 0.59 0.13 112.91 115.81 1t3k h THR 81 Ca 0.46 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 67.33 1t3k h THR 81 Cb 0.43 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1t3k h THR 81 CO -0.26 0.18 0.52 0.00 0.37 0.00 0.00 175.52 176.34 1t3k h ALA 83 N 1.53 1.40 -0.34 0.00 0.00 0.13 -1.16 119.26 120.82 1t3k h ALA 83 Ca 0.31 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1t3k h ALA 83 Cb 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1t3k h ALA 83 CO -0.09 0.45 0.06 0.00 0.00 0.00 0.00 179.25 179.67 1t3k h ARG 84 N 0.00 0.50 -0.11 0.00 2.47 0.21 0.80 114.38 118.25 1t3k h ARG 84 Ca -0.00 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.60 1t3k h ARG 84 Cb 0.64 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1t3k h ARG 84 CO 0.05 0.49 -0.06 0.00 0.56 0.00 0.00 179.97 181.00 1t3k h ARG 85 N 0.49 0.24 0.00 0.04 2.47 -0.47 -0.86 114.38 116.29 1t3k h ARG 85 Ca 0.11 -0.11 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1t3k h ARG 85 Cb 0.23 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1t3k h ARG 85 CO 0.00 0.60 -0.09 1.25 0.56 0.00 0.00 179.97 182.29 1t3k h LEU 86 N -0.12 0.00 -0.91 3.04 7.12 -0.76 0.29 115.31 123.97 1t3k h LEU 86 Ca 0.02 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.96 1t3k h LEU 86 Cb 0.53 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.64 1t3k h LEU 86 CO 0.02 0.09 -0.03 0.58 -0.13 0.00 0.00 178.44 178.96 1t3k h VAL 87 N 0.00 1.24 0.00 1.05 2.07 0.13 0.15 116.25 120.90 1t3k h VAL 87 Ca -0.00 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1t3k h VAL 87 Cb 0.33 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1t3k h VAL 87 CO 0.01 0.36 -0.19 -1.13 0.02 0.00 0.00 177.57 176.64 1t3k h ASN 88 N 0.71 0.00 0.26 0.57 -1.24 0.94 0.16 115.58 116.98 1t3k h ASN 88 Ca 0.13 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 1t3k h ASN 88 Cb 0.48 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.54 1t3k h ASN 88 CO 0.02 0.19 -0.12 0.22 -1.29 0.00 0.00 177.43 176.45 1t3k h TYR 89 N 0.00 -0.32 -0.61 0.67 5.03 0.01 0.48 116.97 122.24 1t3k h TYR 89 Ca -0.00 -0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.45 1t3k h TYR 89 Cb 0.42 0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.78 1t3k h TYR 89 CO 0.00 -0.20 0.42 1.37 -1.32 0.00 0.00 178.16 178.43 1t3k h LEU 90 N -0.59 0.15 -0.78 2.82 -0.00 -1.10 0.55 115.31 116.35 1t3k h LEU 90 Ca -0.04 0.01 -0.13 0.00 -0.00 0.00 0.00 57.88 57.73 1t3k h LEU 90 Cb 0.27 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 1t3k h LEU 90 CO 0.06 0.08 -0.46 -0.78 -0.00 0.00 0.00 178.44 177.33 1t3k h ASP 91 N 0.16 0.36 0.02 0.17 3.58 -0.62 -2.36 116.42 117.72 1t3k h ASP 91 Ca 0.29 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 1t3k h ASP 91 Cb 0.93 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.88 1t3k h ASP 91 CO -0.04 0.77 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.75 1t3k h GLU 92 N 0.27 -0.03 -1.48 0.28 4.39 0.51 -3.44 114.58 115.08 1t3k h GLU 92 Ca 0.02 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.30 1t3k h GLU 92 Cb 0.92 0.01 -0.36 0.00 -0.10 0.00 0.00 28.75 29.22 1t3k h GLU 92 CO 0.08 -0.02 -1.07 1.63 -1.16 0.00 0.00 179.01 178.47 1t3k n LYS 93 N -4.04 1.02 -1.57 2.33 5.02 -0.17 -5.08 118.16 115.66 1t3k n LYS 93 Ca -0.00 -3.11 -0.43 0.00 -2.02 0.00 0.00 58.31 52.74 1t3k n LYS 93 Cb 0.01 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.51 1t3k n LYS 93 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1t3k n LYS 94 N 0.19 1.69 -3.41 1.97 -0.00 -0.89 -4.87 118.16 112.84 1t3k n LYS 94 Ca 0.18 0.42 0.01 0.00 -0.00 0.00 0.00 58.31 58.93 1t3k n LYS 94 Cb 0.70 -3.14 -0.03 0.00 -0.00 0.00 0.00 35.03 32.57 1t3k n LYS 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1t3k s GLU 95 N 6.64 0.56 -0.07 -1.58 2.12 -1.26 -5.05 118.70 120.06 1t3k s GLU 95 Ca 1.02 1.22 -0.01 0.00 0.36 0.00 0.00 54.97 57.57 1t3k s GLU 95 Cb -0.40 0.71 0.00 0.00 0.26 0.00 0.00 34.13 34.71 1t3k s GLU 95 CO 0.36 -0.39 0.02 -0.25 -0.54 0.00 0.00 175.26 174.45 1t3k n ASP 96 N 5.43 -6.66 -4.53 -1.70 8.00 -1.26 -4.54 116.55 111.29 1t3k n ASP 96 Ca -0.07 0.75 -0.37 0.00 0.71 0.00 0.00 54.79 55.81 1t3k n ASP 96 Cb 0.50 -2.47 -0.09 0.00 -0.02 0.00 0.00 41.12 39.04 1t3k n ASP 96 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1t3k n THR 97 N 1.45 -0.04 -0.33 -3.53 -1.04 -1.26 -4.77 114.28 104.75 1t3k n THR 97 Ca -0.03 -0.41 0.16 0.00 -2.04 0.00 0.00 64.05 61.73 1t3k n THR 97 Cb 0.33 -1.64 0.39 0.00 -1.82 0.00 0.00 70.33 67.59 1t3k n THR 97 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1t3k h GLY 98 N 15.93 1.61 -3.72 3.41 0.00 -1.72 -3.41 103.07 115.17 1t3k h GLY 98 Ca -0.14 -0.30 -0.52 0.00 0.00 0.00 0.00 47.33 46.36 1t3k h GLY 98 CO 1.28 -0.10 0.63 -0.26 0.00 0.00 0.00 176.54 178.08 1t3k s ILE 99 N -5.73 2.70 0.04 2.60 -4.36 -1.26 -3.49 121.20 111.70 1t3k s ILE 99 Ca -0.10 0.67 -0.17 0.00 -0.26 0.00 0.00 60.65 60.79 1t3k s ILE 99 Cb 0.25 -3.42 -0.25 0.00 1.25 0.00 0.00 42.46 40.29 1t3k s ILE 99 CO 0.80 0.14 1.12 0.11 0.24 0.00 0.00 174.94 177.35 1t3k h LYS 100 N 3.14 0.57 -2.46 0.37 1.79 0.52 -3.46 116.57 117.04 1t3k h LYS 100 Ca -0.49 -0.66 -0.07 0.00 -2.18 0.00 0.00 60.65 57.25 1t3k h LYS 100 Cb 1.23 0.20 -0.26 0.00 -1.58 0.00 0.00 32.23 31.82 1t3k h LYS 100 CO 0.64 1.26 -0.28 1.21 -1.08 0.00 0.00 179.45 181.20 1t3k s ASN 101 N -7.12 -0.50 0.05 0.86 2.47 -1.26 -4.97 114.94 104.47 1t3k s ASN 101 Ca -0.11 1.07 -0.24 0.00 0.42 0.00 0.00 52.86 53.99 1t3k s ASN 101 Cb 0.05 1.24 -0.06 0.00 -1.45 0.00 0.00 41.25 41.03 1t3k s ASN 101 CO 0.89 -0.22 0.74 0.27 -3.72 0.00 0.00 177.10 175.06 1t3k s ILE 102 N 2.11 4.72 0.22 -5.21 -4.36 -1.26 -1.70 121.20 115.71 1t3k s ILE 102 Ca -0.06 1.58 -0.00 0.00 -0.26 0.00 0.00 60.65 61.91 1t3k s ILE 102 Cb -0.10 -4.09 -0.04 0.00 1.25 0.00 0.00 42.46 39.48 1t3k s ILE 102 CO -0.14 0.39 0.11 -0.04 0.24 0.00 0.00 174.94 175.50 1t3k s MET 103 N -0.20 1.26 -0.08 0.37 1.00 -0.58 -2.30 119.30 118.76 1t3k s MET 103 Ca 0.37 -1.66 0.02 0.00 0.00 0.00 0.00 55.69 54.42 1t3k s MET 103 Cb -0.20 0.06 -0.02 0.00 0.00 0.00 0.00 34.83 34.67 1t3k s MET 103 CO 0.22 -0.34 -0.14 -1.50 0.00 0.00 0.00 175.02 173.26 1t3k s ILE 104 N -4.00 3.00 0.24 2.53 1.10 0.75 -1.64 121.20 123.18 1t3k s ILE 104 Ca 0.37 -0.72 -0.30 0.00 -0.51 0.00 0.00 60.65 59.50 1t3k s ILE 104 Cb 0.07 -2.21 -0.09 0.00 0.15 0.00 0.00 42.46 40.39 1t3k s ILE 104 CO 0.12 0.56 1.09 -0.76 -2.11 0.00 0.00 174.94 173.84 1t3k s LEU 105 N -0.25 4.53 -1.02 8.50 2.01 -1.24 -1.93 118.68 129.29 1t3k s LEU 105 Ca 0.01 2.19 -0.15 0.00 0.01 0.00 0.00 54.13 56.19 1t3k s LEU 105 Cb -0.13 -3.62 0.17 0.00 0.01 0.00 0.00 46.19 42.63 1t3k s LEU 105 CO 0.03 -0.16 1.16 -1.61 1.01 0.00 0.00 176.35 176.78 1t3k s GLU 106 N -1.03 3.81 0.00 1.70 0.41 -1.25 -4.11 118.70 118.24 1t3k s GLU 106 Ca 0.46 -2.28 0.00 0.00 -0.41 0.00 0.00 54.97 52.75 1t3k s GLU 106 Cb -0.31 -4.84 0.00 0.00 -1.78 0.00 0.00 34.13 27.20 1t3k s GLU 106 CO 0.38 -1.64 0.00 0.54 -0.49 0.00 0.00 175.26 174.06 1t3k n ARG 107 N 5.45 0.00 0.00 1.61 1.74 -1.26 -4.96 116.66 119.24 1t3k n ARG 107 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1t3k n ARG 107 Cb 0.46 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 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 -0.15 0.29 0.02 -0.13 0.00 -1.26 -1.07 105.19 102.89 1t3k n GLY 108 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1t3k n GLY 108 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1t3k n PHE 109 N 0.00 0.00 -0.36 1.61 7.35 0.29 -4.68 117.46 121.67 1t3k n PHE 109 Ca 0.00 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.71 1t3k n PHE 109 Cb 0.00 0.00 0.17 0.00 0.35 0.00 0.00 39.48 40.00 1t3k n PHE 109 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1t3k h ASN 110 N 0.11 1.04 -0.34 -2.13 -0.00 -1.16 -0.75 115.58 112.35 1t3k h ASN 110 Ca 0.00 -0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.19 1t3k h ASN 110 Cb 0.03 -0.23 -0.02 0.00 -0.00 0.00 0.00 38.32 38.10 1t3k h ASN 110 CO 0.00 0.69 -0.17 1.23 -0.00 0.00 0.00 177.43 179.18 1t3k h GLY 111 N 1.20 0.87 0.67 1.57 0.00 -1.84 0.23 103.07 105.77 1t3k h GLY 111 Ca 0.40 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1t3k h GLY 111 CO -0.14 0.65 -0.07 -0.25 0.00 0.00 0.00 176.54 176.73 1t3k h TRP 112 N 0.71 -0.19 0.05 5.60 2.91 -1.58 1.42 115.95 124.87 1t3k h TRP 112 Ca 0.11 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.12 1t3k h TRP 112 Cb 0.68 0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 1t3k h TRP 112 CO 0.04 0.14 -0.02 1.49 -1.03 0.00 0.00 178.44 179.05 1t3k h GLU 113 N -0.54 -0.06 -0.09 2.65 4.81 -1.20 -3.15 114.58 116.99 1t3k h GLU 113 Ca -0.02 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1t3k h GLU 113 Cb 0.41 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1t3k h GLU 113 CO 0.03 0.30 -0.28 0.00 -0.73 0.00 0.00 179.01 178.34 1t3k h ALA 114 N 0.48 1.36 -1.48 2.92 0.00 -0.61 -3.21 119.26 118.71 1t3k h ALA 114 Ca -0.01 -0.30 0.43 0.00 0.00 0.00 0.00 54.91 55.03 1t3k h ALA 114 Cb 0.40 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1t3k h ALA 114 CO 0.01 0.45 1.07 0.45 0.00 0.00 0.00 179.25 181.23 1t3k n SER 115 N -4.15 0.00 0.00 0.00 2.88 0.49 -4.64 113.62 108.19 1t3k n SER 115 Ca -0.01 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1t3k n SER 115 Cb 0.37 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1t3k n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t3k n GLY 116 N -1.69 1.17 3.39 0.46 0.00 -1.21 -5.07 105.19 102.24 1t3k n GLY 116 Ca 0.33 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 3.45 0.06 1.61 -2.85 -1.26 -5.10 119.74 115.65 1t3k s LYS 117 Ca 0.00 -0.61 -0.01 0.00 -1.00 0.00 0.00 55.97 54.36 1t3k s LYS 117 Cb 0.00 -3.28 0.01 0.00 -2.06 0.00 0.00 37.83 32.50 1t3k s LYS 117 CO 0.00 -0.26 0.03 -2.30 0.10 0.00 0.00 175.35 172.92 1t3k n PRO 118 N 4.89 -0.18 -3.44 1.78 -0.02 -1.26 -4.49 135.00 132.28 1t3k n PRO 118 Ca -0.16 -0.04 -0.34 0.00 -2.02 0.00 0.00 63.50 60.94 1t3k n PRO 118 Cb 0.50 -0.08 -0.05 0.00 -0.02 0.00 0.00 33.50 33.85 1t3k n PRO 118 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1t3k s VAL 119 N -0.61 4.95 0.10 -1.45 0.11 -1.26 -4.81 120.40 117.43 1t3k s VAL 119 Ca 0.02 0.57 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 1t3k s VAL 119 Cb -0.00 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 1t3k s VAL 119 CO 0.02 0.11 0.00 0.00 -3.33 0.00 0.00 175.10 171.90 1t3k n ARG 121 N 1.92 1.19 -0.34 0.00 5.12 -1.26 -4.93 116.66 118.35 1t3k n ARG 121 Ca 0.00 -0.06 0.05 0.00 -1.93 0.00 0.00 57.85 55.91 1t3k n ARG 121 Cb 0.00 -1.23 -0.01 0.00 -1.16 0.00 0.00 32.46 30.06 1t3k n ARG 121 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1t3k n ALA 123 N -0.68 0.00 0.00 0.00 0.00 -1.26 -4.63 120.51 113.94 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 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1t3k n ALA 123 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1t3k n GLU 124 N -0.15 0.00 0.00 0.00 1.02 -1.26 -4.74 120.64 115.51 1t3k n GLU 124 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1t3k n GLU 124 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1t3k n GLU 124 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1t3k n VAL 125 N 0.00 0.00 0.20 2.62 0.31 -1.26 0.11 118.33 120.32 1t3k n VAL 125 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 1t3k n VAL 125 Cb 0.00 0.00 0.54 0.00 -0.91 0.00 0.00 33.84 33.47 1t3k n VAL 125 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1t3k h PRO 126 N 0.00 0.00 -5.97 5.55 0.13 -1.93 -3.41 132.00 126.37 1t3k h PRO 126 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1t3k h PRO 126 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1t3k h PRO 126 CO 0.00 0.00 0.50 0.00 -0.23 0.00 0.00 178.00 178.27 1t3k n LYS 128 N 5.56 -1.20 -0.05 0.00 4.81 -1.26 -4.92 118.16 121.11 1t3k n LYS 128 Ca 0.07 0.87 -0.07 0.00 -0.87 0.00 0.00 58.31 58.31 1t3k n LYS 128 Cb 0.48 -0.96 -0.06 0.00 0.02 0.00 0.00 35.03 34.51 1t3k n LYS 128 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1t3k h GLY 129 N 0.64 -0.03 -6.99 3.14 0.00 -1.81 -3.45 103.07 94.57 1t3k h GLY 129 Ca 0.00 0.01 -0.33 0.00 0.00 0.00 0.00 47.33 47.01 1t3k h GLY 129 CO 0.00 -0.01 -0.67 -0.35 0.00 0.00 0.00 176.54 175.51 1t3k s ASP 130 N -5.80 1.05 0.11 0.19 -1.08 -1.23 -4.77 116.67 105.13 1t3k s ASP 130 Ca -0.09 0.13 -0.27 0.00 -0.52 0.00 0.00 52.55 51.80 1t3k s ASP 130 Cb -0.01 0.16 -0.09 0.00 -1.46 0.00 0.00 42.92 41.52 1t3k s ASP 130 CO 0.32 -0.27 1.64 0.00 0.52 0.00 0.00 175.17 177.38