#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3k s ALA 2 N 0.00 -1.93 -0.01 3.17 0.00 -1.26 -5.18 121.76 116.55 1t3k s ALA 2 Ca 0.00 1.69 -0.07 0.00 0.00 0.00 0.00 51.96 53.58 1t3k s ALA 2 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1t3k s ALA 2 CO 0.00 -0.29 0.14 1.41 0.00 0.00 0.00 175.76 177.02 1t3k s MET 3 N -0.57 0.42 -0.42 0.00 -2.45 -1.26 -5.09 119.30 109.93 1t3k s MET 3 Ca -0.01 -0.28 0.08 0.00 -1.25 0.00 0.00 55.69 54.24 1t3k s MET 3 Cb -0.02 0.18 0.29 0.00 1.25 0.00 0.00 34.83 36.53 1t3k s MET 3 CO -0.01 -0.09 0.78 0.00 1.05 0.00 0.00 175.02 176.74 1t3k n ALA 4 N 1.76 0.90 -0.23 4.11 0.00 -1.26 -5.14 120.51 120.66 1t3k n ALA 4 Ca -0.21 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.61 1t3k n ALA 4 Cb 0.56 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1t3k n ALA 4 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1t3k n ARG 5 N 0.90 0.00 -0.26 0.00 1.85 -1.26 -4.71 116.66 113.18 1t3k n ARG 5 Ca 0.17 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.85 1t3k n ARG 5 Cb 0.62 0.00 0.16 0.00 -1.05 0.00 0.00 32.46 32.19 1t3k n ARG 5 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1t3k n SER 6 N -3.77 -3.04 -1.94 2.89 7.64 -1.26 -4.70 113.62 109.44 1t3k n SER 6 Ca 0.00 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.41 1t3k n SER 6 Cb 0.00 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1t3k n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t3k n ILE 7 N -4.46 -3.36 -4.80 0.44 0.00 -1.26 -4.97 119.36 100.95 1t3k n ILE 7 Ca 0.07 0.81 -0.33 0.00 0.00 0.00 0.00 62.75 63.31 1t3k n ILE 7 Cb 0.32 -2.33 -0.13 0.00 0.00 0.00 0.00 39.64 37.51 1t3k n ILE 7 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1t3k s SER 8 N -0.14 4.19 0.42 9.51 1.04 -1.03 -4.74 113.70 122.96 1t3k s SER 8 Ca 0.00 -0.17 -0.10 0.00 0.48 0.00 0.00 55.95 56.16 1t3k s SER 8 Cb 0.00 -1.06 -0.06 0.00 0.10 0.00 0.00 66.02 65.00 1t3k s SER 8 CO 0.00 0.32 0.78 -0.72 0.98 0.00 0.00 173.24 174.60 1t3k s TYR 9 N -0.56 3.49 -0.06 5.02 -0.85 -1.25 -0.49 117.35 122.64 1t3k s TYR 9 Ca 0.08 1.01 0.04 0.00 -0.52 0.00 0.00 57.07 57.68 1t3k s TYR 9 Cb -0.12 -2.43 0.00 0.00 0.38 0.00 0.00 41.96 39.80 1t3k s TYR 9 CO 0.02 -0.15 -0.18 0.42 -1.52 0.00 0.00 175.55 174.13 1t3k s ILE 10 N -2.46 1.57 0.51 -3.49 1.09 -1.06 -4.83 121.20 112.53 1t3k s ILE 10 Ca 0.51 -0.77 0.04 0.00 -1.10 0.00 0.00 60.65 59.33 1t3k s ILE 10 Cb -0.10 -1.36 0.03 0.00 -1.06 0.00 0.00 42.46 39.97 1t3k s ILE 10 CO 0.34 0.45 0.71 0.28 -0.10 0.00 0.00 174.94 176.62 1t3k s THR 11 N 0.22 2.75 0.18 2.92 -1.32 -1.26 -4.20 115.64 114.92 1t3k s THR 11 Ca -0.09 -0.80 -0.16 0.00 -1.21 0.00 0.00 61.69 59.43 1t3k s THR 11 Cb -0.14 -2.96 0.12 0.00 -1.51 0.00 0.00 72.50 68.01 1t3k s THR 11 CO 0.04 0.00 1.67 -1.28 -2.21 0.00 0.00 174.62 172.84 1t3k h SER 12 N 0.27 -0.37 -0.44 8.08 0.87 -2.00 -0.38 113.55 119.58 1t3k h SER 12 Ca -0.41 0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.22 1t3k h SER 12 Cb 1.29 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.49 1t3k h SER 12 CO 0.49 -0.13 0.06 0.71 -0.53 0.00 0.00 176.83 177.43 1t3k h THR 13 N 0.02 1.23 -0.09 2.23 1.35 -2.01 -1.02 112.91 114.63 1t3k h THR 13 Ca 0.22 -0.90 0.03 0.00 -0.55 0.00 0.00 66.41 65.20 1t3k h THR 13 Cb 0.33 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1t3k h THR 13 CO -0.44 0.33 0.16 1.56 -0.25 0.00 0.00 175.52 176.87 1t3k h GLN 14 N 0.76 0.00 0.00 4.72 1.08 -1.46 0.78 115.11 121.00 1t3k h GLN 14 Ca 0.16 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.26 1t3k h GLN 14 Cb 0.37 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1t3k h GLN 14 CO 0.01 0.00 -0.48 1.37 -0.95 0.00 0.00 178.83 178.78 1t3k h LEU 15 N 0.00 0.00 0.36 1.46 8.10 -0.51 -3.31 115.31 121.42 1t3k h LEU 15 Ca 0.04 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.02 1t3k h LEU 15 Cb 0.36 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.58 1t3k h LEU 15 CO -0.00 0.48 -0.20 0.25 -4.11 0.00 0.00 178.44 174.86 1t3k h LEU 16 N 0.00 -0.48 -0.01 0.17 5.85 0.60 -3.22 115.31 118.23 1t3k h LEU 16 Ca -0.00 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1t3k h LEU 16 Cb 1.12 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 1t3k h LEU 16 CO 0.06 -0.32 -0.39 -0.65 -0.34 0.00 0.00 178.44 176.80 1t3k h PRO 17 N -0.52 -0.46 -3.15 5.25 0.11 -1.64 -3.48 132.00 128.10 1t3k h PRO 17 Ca -0.04 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1t3k h PRO 17 Cb 0.42 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1t3k h PRO 17 CO 0.06 -0.31 -0.05 -0.11 -0.21 0.00 0.00 178.00 177.38 1t3k n LEU 18 N -4.62 -2.41 -0.54 2.35 0.00 -1.22 -4.85 117.00 105.70 1t3k n LEU 18 Ca -0.05 0.07 0.45 0.00 0.00 0.00 0.00 56.01 56.48 1t3k n LEU 18 Cb 0.28 -1.16 0.78 0.00 0.00 0.00 0.00 43.42 43.32 1t3k n LEU 18 CO 0.08 -0.20 1.41 -0.74 0.00 0.00 0.00 177.39 177.95 1t3k h HIS 19 N 0.18 0.06 -3.49 1.96 2.76 -1.91 -3.45 115.15 111.25 1t3k h HIS 19 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1t3k h HIS 19 Cb 0.03 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1t3k h HIS 19 CO 0.00 -0.02 -0.06 0.54 -1.30 0.00 0.00 177.93 177.10 1t3k n ARG 20 N -4.10 -0.41 -3.78 5.26 1.74 -1.26 -5.10 116.66 109.02 1t3k n ARG 20 Ca 0.37 0.79 -0.14 0.00 -0.77 0.00 0.00 57.85 58.10 1t3k n ARG 20 Cb 1.68 -2.39 -0.14 0.00 -1.02 0.00 0.00 32.46 30.58 1t3k n ARG 20 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1t3k s ARG 21 N -2.07 0.07 0.05 5.56 1.81 -1.26 -5.06 118.95 118.05 1t3k s ARG 21 Ca 0.03 0.27 -0.23 0.00 -1.72 0.00 0.00 55.73 54.08 1t3k s ARG 21 Cb -0.01 -0.13 -0.16 0.00 -0.45 0.00 0.00 34.95 34.20 1t3k s ARG 21 CO 0.16 -0.13 1.52 -1.00 -0.68 0.00 0.00 175.30 175.18 1t3k h PRO 22 N 6.93 0.07 -5.19 3.54 0.13 -1.98 -3.39 132.00 132.11 1t3k h PRO 22 Ca -0.39 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.64 1t3k h PRO 22 Cb 1.15 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1t3k h PRO 22 CO 0.44 0.29 0.52 0.27 -0.23 0.00 0.00 178.00 179.29 1t3k n ASN 23 N -4.93 0.71 -3.80 1.44 0.23 -1.26 -4.86 115.26 102.79 1t3k n ASN 23 Ca -0.07 -1.47 -0.21 0.00 -0.53 0.00 0.00 54.58 52.30 1t3k n ASN 23 Cb 0.14 -1.35 -0.17 0.00 -2.08 0.00 0.00 39.78 36.32 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1t3k s ILE 24 N 11.01 0.33 -0.20 1.53 1.10 -1.26 -2.28 121.20 131.42 1t3k s ILE 24 Ca 0.92 0.09 -0.25 0.00 -0.51 0.00 0.00 60.65 60.91 1t3k s ILE 24 Cb -0.26 -0.45 0.07 0.00 0.15 0.00 0.00 42.46 41.96 1t3k s ILE 24 CO 0.20 0.22 0.66 0.00 -2.11 0.00 0.00 174.94 173.92 1t3k s ALA 25 N 1.59 -1.66 -0.15 1.50 0.00 0.12 -4.91 121.76 118.25 1t3k s ALA 25 Ca -0.01 1.72 -0.06 0.00 0.00 0.00 0.00 51.96 53.62 1t3k s ALA 25 Cb -0.13 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1t3k s ALA 25 CO -0.03 -0.33 0.04 0.42 0.00 0.00 0.00 175.76 175.86 1t3k s ILE 26 N -0.03 4.65 -0.07 0.00 1.01 -1.26 -1.81 121.20 123.68 1t3k s ILE 26 Ca -0.03 -0.10 -0.15 0.00 0.00 0.00 0.00 60.65 60.38 1t3k s ILE 26 Cb -0.04 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 1t3k s ILE 26 CO 0.03 0.51 0.37 -0.63 0.00 0.00 0.00 174.94 175.23 1t3k s ILE 27 N -0.06 5.16 -0.08 2.92 1.01 0.69 0.17 121.20 131.00 1t3k s ILE 27 Ca 0.06 0.74 -0.01 0.00 0.00 0.00 0.00 60.65 61.44 1t3k s ILE 27 Cb -0.12 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.69 1t3k s ILE 27 CO 0.01 0.49 -0.03 -1.81 0.00 0.00 0.00 174.94 173.60 1t3k s ASP 28 N -0.41 1.77 0.59 3.58 1.11 -1.04 -2.16 116.67 120.10 1t3k s ASP 28 Ca 0.22 -0.17 -0.19 0.00 0.18 0.00 0.00 52.55 52.58 1t3k s ASP 28 Cb -0.15 -0.59 -0.04 0.00 1.07 0.00 0.00 42.92 43.21 1t3k s ASP 28 CO 0.10 -0.16 1.15 0.55 1.18 0.00 0.00 175.17 177.99 1t3k n VAL 29 N 4.99 3.98 -1.18 -1.27 3.14 -1.26 -0.92 118.33 125.81 1t3k n VAL 29 Ca -0.10 -0.50 0.13 0.00 -2.96 0.00 0.00 64.34 60.91 1t3k n VAL 29 Cb 0.50 -1.36 -0.05 0.00 -1.06 0.00 0.00 33.84 31.87 1t3k n VAL 29 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1t3k n ARG 30 N -1.17 -2.25 -1.73 1.45 1.74 0.27 -4.66 116.66 110.31 1t3k n ARG 30 Ca 0.13 1.67 -0.12 0.00 -0.77 0.00 0.00 57.85 58.76 1t3k n ARG 30 Cb 0.46 -2.83 0.07 0.00 -1.02 0.00 0.00 32.46 29.15 1t3k n ARG 30 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1t3k n ASP 31 N -4.26 3.52 -0.02 0.55 8.00 -1.23 -3.78 116.55 119.32 1t3k n ASP 31 Ca -0.03 -3.50 0.23 0.00 0.71 0.00 0.00 54.79 52.21 1t3k n ASP 31 Cb 0.63 -0.40 0.63 0.00 -0.02 0.00 0.00 41.12 41.96 1t3k n ASP 31 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1t3k h GLU 32 N 1.87 0.00 0.00 -1.24 4.11 -1.92 1.59 114.58 118.99 1t3k h GLU 32 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1t3k h GLU 32 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1t3k h GLU 32 CO 0.47 0.00 0.00 -1.91 0.07 0.00 0.00 179.01 177.64 1t3k n GLU 33 N -3.49 0.13 0.24 1.06 4.07 -1.26 -1.98 120.64 119.41 1t3k n GLU 33 Ca 0.13 0.39 0.13 0.00 -0.06 0.00 0.00 57.16 57.75 1t3k n GLU 33 Cb 0.98 -1.76 0.54 0.00 -0.06 0.00 0.00 31.44 31.14 1t3k n GLU 33 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1t3k h ARG 34 N 0.00 0.00 0.00 5.31 3.08 0.19 -2.36 114.38 120.60 1t3k h ARG 34 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1t3k h ARG 34 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1t3k h ARG 34 CO 0.00 0.13 -0.38 -0.97 -1.07 0.00 0.00 179.97 177.67 1t3k h ASN 35 N 0.00 0.00 -0.24 7.04 -0.73 -1.55 -3.35 115.58 116.75 1t3k h ASN 35 Ca -0.00 -0.42 0.07 0.00 1.87 0.00 0.00 56.30 57.82 1t3k h ASN 35 Cb 0.66 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.24 1t3k h ASN 35 CO 0.02 0.92 0.18 1.88 -0.37 0.00 0.00 177.43 180.06 1t3k h TYR 36 N -1.00 0.00 0.00 0.67 0.05 -1.60 -3.45 116.97 111.63 1t3k h TYR 36 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1t3k h TYR 36 Cb 0.70 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1t3k h TYR 36 CO 0.07 0.00 0.00 -3.47 -1.05 0.00 0.00 178.16 173.71 1t3k n ASP 37 N -4.42 -3.51 -3.44 3.88 2.03 -0.89 -5.02 116.55 105.19 1t3k n ASP 37 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1t3k n ASP 37 Cb 0.33 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 1t3k n ASP 37 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t3k n GLY 38 N -2.17 -3.43 2.48 0.27 0.00 -1.25 -4.98 105.19 96.11 1t3k n GLY 38 Ca 0.00 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 1t3k n GLY 38 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1t3k n HIS 39 N -1.99 2.02 -1.47 1.61 8.25 -1.26 -5.00 115.22 117.38 1t3k n HIS 39 Ca 0.00 -3.90 -0.34 0.00 -0.26 0.00 0.00 57.72 53.22 1t3k n HIS 39 Cb 0.00 -0.46 -0.08 0.00 1.12 0.00 0.00 29.99 30.58 1t3k n HIS 39 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1t3k n ILE 40 N 0.42 1.36 -3.41 1.59 -0.00 -1.26 -4.49 119.36 113.57 1t3k n ILE 40 Ca 0.27 -1.32 -0.39 0.00 -0.00 0.00 0.00 62.75 61.31 1t3k n ILE 40 Cb 0.50 -2.17 -0.09 0.00 -0.00 0.00 0.00 39.64 37.87 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 9.31 3.54 0.00 -1.39 0.00 -0.95 -4.47 121.76 127.79 1t3k s ALA 41 Ca 0.67 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1t3k s ALA 41 Cb 0.06 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1t3k s ALA 41 CO 0.17 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1t3k n GLY 42 N 4.81 0.85 0.00 0.00 0.00 -1.04 -3.38 105.19 106.43 1t3k n GLY 42 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -4.61 1.61 2.88 -1.26 -4.72 113.62 107.52 1t3k n SER 43 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1t3k n SER 43 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.00 3.67 -0.05 2.46 1.43 0.44 -4.81 118.68 121.81 1t3k s LEU 44 Ca 0.00 1.28 -0.02 0.00 -1.03 0.00 0.00 54.13 54.35 1t3k s LEU 44 Cb 0.00 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1t3k s LEU 44 CO 0.00 -1.46 0.08 -1.38 0.23 0.00 0.00 176.35 173.83 1t3k s HIS 45 N 5.83 3.35 0.13 0.29 -3.43 -1.26 -2.50 115.29 117.70 1t3k s HIS 45 Ca 0.71 0.29 0.08 0.00 -0.80 0.00 0.00 55.06 55.34 1t3k s HIS 45 Cb -0.21 -1.80 -0.04 0.00 -1.43 0.00 0.00 32.58 29.10 1t3k s HIS 45 CO 0.31 0.58 -0.19 1.52 -2.00 0.00 0.00 174.74 174.97 1t3k s TYR 46 N -1.09 1.72 0.00 0.38 1.13 -0.10 -4.88 117.35 114.51 1t3k s TYR 46 Ca 0.19 -0.45 0.00 0.00 -1.41 0.00 0.00 57.07 55.40 1t3k s TYR 46 Cb -0.12 -0.91 0.00 0.00 -1.10 0.00 0.00 41.96 39.84 1t3k s TYR 46 CO 0.09 0.23 0.00 0.00 -2.51 0.00 0.00 175.55 173.37 1t3k n ALA 47 N 0.74 0.00 -2.68 9.51 0.00 -1.26 0.94 120.51 127.77 1t3k n ALA 47 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 1t3k n ALA 47 Cb 0.55 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.43 2.15 -2.52 0.00 2.88 -1.26 -4.56 113.62 108.88 1t3k n SER 48 Ca 0.00 -2.45 -0.36 0.00 -1.33 0.00 0.00 58.87 54.73 1t3k n SER 48 Cb 0.00 -0.47 0.06 0.00 -0.75 0.00 0.00 64.21 63.05 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 -0.52 5.79 0.42 0.46 0.00 -1.26 -4.61 105.19 105.47 1t3k n GLY 49 Ca 0.14 -2.41 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.76 -0.59 0.04 1.61 3.41 -1.26 -4.95 113.62 111.12 1t3k n SER 50 Ca 0.58 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 1t3k n SER 50 Cb 0.53 -0.10 0.33 0.00 -0.26 0.00 0.00 64.21 64.71 1t3k n SER 50 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1t3k n PHE 51 N -2.16 0.25 0.32 7.33 3.01 -1.26 -0.55 117.46 124.41 1t3k n PHE 51 Ca 0.00 0.11 0.15 0.00 1.01 0.00 0.00 57.45 58.72 1t3k n PHE 51 Cb 0.01 -0.67 0.59 0.00 -0.01 0.00 0.00 39.48 39.40 1t3k n PHE 51 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 1t3k h ASP 52 N 0.00 0.00 0.59 4.37 2.03 -1.92 1.25 116.42 122.73 1t3k h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1t3k h ASP 52 Cb 0.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1t3k h ASP 52 CO 0.00 0.00 -0.38 0.47 -1.03 0.00 0.00 179.24 178.30 1t3k n ASP 53 N -2.81 0.42 0.00 4.15 8.00 0.29 -4.03 116.55 122.57 1t3k n ASP 53 Ca 0.01 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1t3k n ASP 53 Cb 0.30 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1t3k n ASP 53 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1t3k n LYS 54 N -1.45 1.64 -0.34 -1.24 5.02 -0.51 -4.72 118.16 116.56 1t3k n LYS 54 Ca 0.06 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.47 1t3k n LYS 54 Cb 0.33 -0.86 0.30 0.00 -0.02 0.00 0.00 35.03 34.79 1t3k n LYS 54 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1t3k h ILE 55 N 0.00 0.68 -0.97 -0.18 2.10 0.14 -0.54 117.51 118.74 1t3k h ILE 55 Ca 0.00 -0.24 0.19 0.00 1.08 0.00 0.00 64.86 65.89 1t3k h ILE 55 Cb 0.00 -0.08 -0.11 0.00 -1.09 0.00 0.00 36.82 35.54 1t3k h ILE 55 CO 0.00 0.13 0.56 0.28 -1.08 0.00 0.00 178.15 178.03 1t3k h SER 56 N 0.70 0.69 0.18 2.19 0.02 -1.82 -0.25 113.55 115.26 1t3k h SER 56 Ca 0.56 0.11 -0.26 0.00 -0.84 0.00 0.00 61.79 61.35 1t3k h SER 56 Cb 0.88 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 63.43 1t3k h SER 56 CO -0.40 0.22 -1.07 -0.74 -1.14 0.00 0.00 176.83 173.71 1t3k h HIS 57 N 0.69 0.87 -0.44 3.45 -0.00 -1.46 -2.94 115.15 115.31 1t3k h HIS 57 Ca 0.56 -0.50 -0.07 0.00 -0.00 0.00 0.00 60.37 60.37 1t3k h HIS 57 Cb 0.90 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 28.21 1t3k h HIS 57 CO -0.03 1.33 -0.01 -0.07 -0.00 0.00 0.00 177.93 179.15 1t3k h LEU 58 N 0.30 0.76 -0.42 0.26 3.38 -0.34 0.57 115.31 119.82 1t3k h LEU 58 Ca -0.13 -0.31 -0.18 0.00 0.09 0.00 0.00 57.88 57.35 1t3k h LEU 58 Cb 1.72 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 1t3k h LEU 58 CO 0.20 0.89 -0.63 0.58 0.09 0.00 0.00 178.44 179.57 1t3k h VAL 59 N 0.62 1.33 0.00 1.22 2.07 -1.39 -3.38 116.25 116.72 1t3k h VAL 59 Ca 0.12 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.74 1t3k h VAL 59 Cb 0.50 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1t3k h VAL 59 CO 0.02 0.59 0.00 0.00 0.02 0.00 0.00 177.57 178.20 1t3k n GLN 60 N -3.93 0.00 -0.33 1.57 -0.00 -1.11 -4.11 117.38 109.48 1t3k n GLN 60 Ca -0.04 0.37 -0.01 0.00 -0.00 0.00 0.00 57.00 57.33 1t3k n GLN 60 Cb 0.65 -0.93 -0.00 0.00 -0.00 0.00 0.00 30.24 29.96 1t3k n GLN 60 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1t3k n ASN 61 N -1.62 -1.34 -2.87 2.61 0.23 0.18 -3.38 115.26 109.07 1t3k n ASN 61 Ca 0.00 0.01 -0.19 0.00 -0.53 0.00 0.00 54.58 53.87 1t3k n ASN 61 Cb 0.00 -1.21 -0.04 0.00 -2.08 0.00 0.00 39.78 36.45 1t3k n ASN 61 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1t3k n VAL 62 N -0.55 0.00 0.07 3.53 0.24 -1.26 -4.72 118.33 115.64 1t3k n VAL 62 Ca -0.01 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1t3k n VAL 62 Cb 0.12 -0.22 -0.10 0.00 -1.47 0.00 0.00 33.84 32.17 1t3k n VAL 62 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1t3k h LYS 63 N -0.38 0.00 -0.19 7.34 1.79 -1.93 -3.47 116.57 119.73 1t3k h LYS 63 Ca -0.27 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.12 1t3k h LYS 63 Cb 0.72 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.34 1t3k h LYS 63 CO 0.40 0.89 -0.07 -3.47 -1.08 0.00 0.00 179.45 176.11 1t3k n ASP 64 N -3.31 -5.03 -2.93 0.86 2.03 -1.26 -4.87 116.55 102.04 1t3k n ASP 64 Ca -0.01 0.10 -0.09 0.00 0.52 0.00 0.00 54.79 55.31 1t3k n ASP 64 Cb 0.91 -2.88 -0.02 0.00 -0.72 0.00 0.00 41.12 38.42 1t3k n ASP 64 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1t3k s LYS 65 N -1.90 1.02 -0.26 -0.67 2.20 -1.26 -4.88 119.74 113.98 1t3k s LYS 65 Ca 0.00 -1.22 -0.07 0.00 -0.36 0.00 0.00 55.97 54.32 1t3k s LYS 65 Cb 0.00 -0.33 0.13 0.00 -1.51 0.00 0.00 37.83 36.12 1t3k s LYS 65 CO 0.00 -1.33 0.53 0.16 -0.36 0.00 0.00 175.35 174.36 1t3k s ASP 66 N 0.79 -0.73 -0.10 1.43 -4.77 -1.26 -4.54 116.67 107.49 1t3k s ASP 66 Ca 0.29 1.14 0.04 0.00 -3.30 0.00 0.00 52.55 50.72 1t3k s ASP 66 Cb 0.00 1.83 0.00 0.00 -1.09 0.00 0.00 42.92 43.66 1t3k s ASP 66 CO -0.08 -0.24 -0.23 -0.89 0.70 0.00 0.00 175.17 174.43 1t3k s THR 67 N 2.76 2.00 -0.02 2.11 2.01 -0.97 0.33 115.64 123.86 1t3k s THR 67 Ca 0.01 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.06 1t3k s THR 67 Cb -0.13 -1.73 -0.00 0.00 0.01 0.00 0.00 72.50 70.65 1t3k s THR 67 CO -0.17 0.55 -0.09 -1.48 -0.69 0.00 0.00 174.62 172.74 1t3k s LEU 68 N 0.39 1.86 -0.23 4.42 2.34 -0.77 -0.70 118.68 125.99 1t3k s LEU 68 Ca -0.18 -0.18 -0.05 0.00 0.06 0.00 0.00 54.13 53.78 1t3k s LEU 68 Cb -0.18 -0.53 -0.01 0.00 -0.56 0.00 0.00 46.19 44.91 1t3k s LEU 68 CO 0.08 0.08 -0.01 0.68 -1.06 0.00 0.00 176.35 176.13 1t3k s VAL 69 N 0.05 3.63 0.16 1.48 -7.23 -0.75 -1.32 120.40 116.42 1t3k s VAL 69 Ca -0.01 -0.43 0.04 0.00 -1.81 0.00 0.00 61.98 59.77 1t3k s VAL 69 Cb -0.07 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 1t3k s VAL 69 CO 0.00 0.38 0.22 0.72 -0.31 0.00 0.00 175.10 176.11 1t3k s PHE 70 N 1.51 3.33 0.00 2.82 -0.12 -0.83 -0.22 117.98 124.47 1t3k s PHE 70 Ca 0.06 0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.99 1t3k s PHE 70 Cb -0.15 -1.59 0.00 0.00 -0.63 0.00 0.00 43.02 40.65 1t3k s PHE 70 CO -0.01 0.52 0.00 1.58 -0.05 0.00 0.00 175.22 177.25 1t3k n HIS 71 N -0.47 0.00 0.00 3.49 -0.00 -0.92 -1.64 115.22 115.68 1t3k n HIS 71 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 1t3k n HIS 71 Cb 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 1t3k n HIS 71 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1t3k n SER 72 N 0.00 0.00 -0.19 0.26 2.88 -1.24 -4.13 113.62 111.20 1t3k n SER 72 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1t3k n SER 72 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1t3k n SER 72 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3k h ALA 73 N 0.00 0.10 0.00 -1.46 0.00 -1.90 -3.36 119.26 112.64 1t3k h ALA 73 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1t3k h ALA 73 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1t3k h ALA 73 CO 0.00 -0.59 0.00 -0.11 0.00 0.00 0.00 179.25 178.55 1t3k n LEU 74 N -5.43 0.00 0.32 0.00 0.00 -1.26 -3.04 117.00 107.59 1t3k n LEU 74 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 56.01 56.12 1t3k n LEU 74 Cb 0.35 0.00 0.31 0.00 0.00 0.00 0.00 43.42 44.07 1t3k n LEU 74 CO 0.03 0.00 1.03 0.28 0.00 0.00 0.00 177.39 178.73 1t3k h SER 75 N 0.00 0.00 0.00 1.96 0.02 -1.81 -3.43 113.55 110.28 1t3k h SER 75 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1t3k h SER 75 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1t3k h SER 75 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1t3k n GLN 76 N -2.60 -1.23 0.00 3.45 6.02 -1.26 -2.71 117.38 119.05 1t3k n GLN 76 Ca -0.01 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1t3k n GLN 76 Cb 0.75 -4.64 0.00 0.00 1.02 0.00 0.00 30.24 27.37 1t3k n GLN 76 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1t3k n VAL 77 N -2.07 0.00 0.18 5.09 0.31 -1.26 -4.99 118.33 115.58 1t3k n VAL 77 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 1t3k n VAL 77 Cb 0.31 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.43 1t3k n VAL 77 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1t3k h ARG 78 N 0.00 0.00 -0.86 5.55 3.08 -1.88 -3.35 114.38 116.92 1t3k h ARG 78 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 1t3k h ARG 78 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.91 1t3k h ARG 78 CO 0.00 0.34 -0.32 0.41 -1.07 0.00 0.00 179.97 179.33 1t3k n GLY 79 N 0.85 -1.72 0.37 0.04 0.00 -1.26 0.32 105.19 103.78 1t3k n GLY 79 Ca 0.02 0.95 0.11 0.00 0.00 0.00 0.00 46.02 47.10 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 0.64 -0.57 1.61 0.11 -1.97 0.57 132.00 132.39 1t3k h PRO 80 Ca 0.31 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.39 1t3k h PRO 80 Cb 0.53 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 1t3k h PRO 80 CO -0.85 0.42 0.38 1.15 -0.21 0.00 0.00 178.00 178.89 1t3k h THR 81 N 0.66 1.15 -0.55 -1.15 2.02 0.48 0.23 112.91 115.75 1t3k h THR 81 Ca 0.40 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1t3k h THR 81 Cb 0.64 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1t3k h THR 81 CO -0.16 0.14 0.30 0.00 0.37 0.00 0.00 175.52 176.16 1t3k h ALA 83 N 1.56 1.09 -0.42 0.00 0.00 -0.14 -1.32 119.26 120.03 1t3k h ALA 83 Ca 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1t3k h ALA 83 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1t3k h ALA 83 CO -0.03 0.56 0.18 0.00 0.00 0.00 0.00 179.25 179.96 1t3k h ARG 84 N 0.44 0.59 -0.73 0.00 3.08 0.76 0.12 114.38 118.64 1t3k h ARG 84 Ca 0.07 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1t3k h ARG 84 Cb 0.66 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 1t3k h ARG 84 CO 0.05 0.48 0.40 0.00 -1.07 0.00 0.00 179.97 179.83 1t3k h ARG 85 N 0.59 1.01 -0.28 0.04 -0.00 0.01 0.31 114.38 116.07 1t3k h ARG 85 Ca 0.15 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.98 59.49 1t3k h ARG 85 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 29.97 29.85 1t3k h ARG 85 CO -0.02 0.74 0.07 1.25 0.00 0.00 0.00 179.97 182.02 1t3k h LEU 86 N 1.02 0.36 -0.99 3.04 7.12 -0.36 0.25 115.31 125.75 1t3k h LEU 86 Ca 0.26 -0.04 -0.07 0.00 0.13 0.00 0.00 57.88 58.16 1t3k h LEU 86 Cb 0.02 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.04 1t3k h LEU 86 CO -0.04 0.37 -0.02 0.58 -0.13 0.00 0.00 178.44 179.20 1t3k h VAL 87 N 0.40 1.23 -0.05 1.05 2.07 0.59 0.01 116.25 121.55 1t3k h VAL 87 Ca 0.10 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1t3k h VAL 87 Cb 0.15 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1t3k h VAL 87 CO -0.00 0.34 0.04 -1.13 0.02 0.00 0.00 177.57 176.83 1t3k h ASN 88 N 0.66 0.00 0.18 0.57 -1.24 0.18 0.45 115.58 116.38 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 0.44 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.49 1t3k h ASN 88 CO 0.02 0.00 -0.08 0.22 -1.29 0.00 0.00 177.43 176.29 1t3k h TYR 89 N 0.00 -0.22 -0.65 0.67 5.03 -0.28 0.84 116.97 122.36 1t3k h TYR 89 Ca 0.02 -0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.48 1t3k h TYR 89 Cb 0.10 0.07 -0.04 0.00 1.55 0.00 0.00 36.73 38.41 1t3k h TYR 89 CO 0.00 -0.14 0.45 1.25 -1.32 0.00 0.00 178.16 178.40 1t3k h LEU 90 N -0.40 0.23 -0.67 2.82 7.12 -1.27 0.85 115.31 123.98 1t3k h LEU 90 Ca -0.02 0.01 -0.14 0.00 0.13 0.00 0.00 57.88 57.86 1t3k h LEU 90 Cb 0.18 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.27 1t3k h LEU 90 CO 0.04 0.12 -0.52 -0.78 -0.13 0.00 0.00 178.44 177.17 1t3k h ASP 91 N 0.24 0.42 -0.09 1.25 1.82 -0.09 -1.81 116.42 118.16 1t3k h ASP 91 Ca 0.32 -0.21 0.03 0.00 -0.39 0.00 0.00 57.03 56.77 1t3k h ASP 91 Cb 0.90 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.79 1t3k h ASP 91 CO -0.07 0.86 0.29 -0.08 -1.61 0.00 0.00 179.24 178.64 1t3k h GLU 92 N 0.30 0.00 -0.82 0.28 4.81 0.80 -3.44 114.58 116.50 1t3k h GLU 92 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1t3k h GLU 92 Cb 1.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1t3k h GLU 92 CO 0.09 0.00 0.00 1.17 -0.73 0.00 0.00 179.01 179.54 1t3k n LYS 93 N -3.16 0.00 -3.09 1.92 4.81 -0.68 -5.07 118.16 112.90 1t3k n LYS 93 Ca -0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.26 1t3k n LYS 93 Cb 0.37 -0.87 -0.02 0.00 0.02 0.00 0.00 35.03 34.53 1t3k n LYS 93 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1t3k n LYS 94 N -0.41 0.89 -0.52 1.64 3.00 -1.24 -5.08 118.16 116.45 1t3k n LYS 94 Ca 0.00 -2.99 0.07 0.00 -0.00 0.00 0.00 58.31 55.39 1t3k n LYS 94 Cb 0.19 -1.46 -0.02 0.00 0.00 0.00 0.00 35.03 33.74 1t3k n LYS 94 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1t3k n GLU 95 N 0.69 -1.04 -4.39 1.64 1.02 -1.26 -4.77 120.64 112.53 1t3k n GLU 95 Ca 0.20 0.68 -0.20 0.00 -0.02 0.00 0.00 57.16 57.82 1t3k n GLU 95 Cb 0.63 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.68 1t3k n GLU 95 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1t3k s ASP 96 N -3.99 2.73 0.77 1.62 -4.77 -1.26 -4.07 116.67 107.70 1t3k s ASP 96 Ca 0.00 -1.10 0.00 0.00 -3.30 0.00 0.00 52.55 48.15 1t3k s ASP 96 Cb 0.00 -0.16 0.00 0.00 -1.09 0.00 0.00 42.92 41.67 1t3k s ASP 96 CO 0.00 -0.23 0.00 0.41 0.70 0.00 0.00 175.17 176.05 1t3k n THR 97 N -0.49 0.00 0.00 2.11 -1.04 -1.26 -4.97 114.28 108.63 1t3k n THR 97 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1t3k n THR 97 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1t3k n THR 97 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t3k n GLY 98 N 0.00 1.95 3.76 3.41 0.00 -1.26 -4.64 105.19 108.41 1t3k n GLY 98 Ca 0.00 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 1t3k n GLY 98 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1t3k s ILE 99 N -0.38 3.11 0.24 -0.61 -0.00 -1.26 -4.77 121.20 117.53 1t3k s ILE 99 Ca 0.00 1.10 -0.05 0.00 -0.00 0.00 0.00 60.65 61.70 1t3k s ILE 99 Cb 0.00 -3.69 0.22 0.00 -0.00 0.00 0.00 42.46 38.99 1t3k s ILE 99 CO 0.00 0.24 1.71 0.50 -0.00 0.00 0.00 174.94 177.39 1t3k h LYS 100 N 3.48 0.33 -2.41 0.37 1.63 0.51 -3.41 116.57 117.07 1t3k h LYS 100 Ca -0.48 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.24 1t3k h LYS 100 Cb 1.22 -0.07 -0.25 0.00 -0.60 0.00 0.00 32.23 32.52 1t3k h LYS 100 CO 0.66 0.22 -0.27 1.21 -3.45 0.00 0.00 179.45 177.82 1t3k s ASN 101 N -5.29 -0.54 -0.15 4.20 2.47 -1.20 -4.96 114.94 109.48 1t3k s ASN 101 Ca -0.13 1.11 -0.14 0.00 0.42 0.00 0.00 52.86 54.13 1t3k s ASN 101 Cb 0.21 1.33 -0.05 0.00 -1.45 0.00 0.00 41.25 41.29 1t3k s ASN 101 CO 0.76 -0.22 0.30 -0.51 -3.72 0.00 0.00 177.10 173.71 1t3k s ILE 102 N 2.20 5.29 0.21 -5.21 1.10 -1.26 -1.85 121.20 121.68 1t3k s ILE 102 Ca -0.06 0.57 -0.02 0.00 -0.51 0.00 0.00 60.65 60.63 1t3k s ILE 102 Cb -0.10 -3.64 -0.04 0.00 0.15 0.00 0.00 42.46 38.84 1t3k s ILE 102 CO -0.15 0.40 0.18 -0.04 -2.11 0.00 0.00 174.94 173.23 1t3k s MET 103 N 0.35 1.27 -0.13 3.50 -1.94 -0.44 -2.46 119.30 119.46 1t3k s MET 103 Ca 0.17 -1.60 0.00 0.00 -1.71 0.00 0.00 55.69 52.56 1t3k s MET 103 Cb -0.13 0.30 0.02 0.00 2.01 0.00 0.00 34.83 37.03 1t3k s MET 103 CO 0.05 -0.43 -0.12 -1.50 -0.01 0.00 0.00 175.02 173.00 1t3k s ILE 104 N -4.11 1.37 0.16 2.53 -1.16 0.35 -1.97 121.20 118.38 1t3k s ILE 104 Ca 0.37 -0.52 -0.27 0.00 -0.51 0.00 0.00 60.65 59.72 1t3k s ILE 104 Cb 0.06 -1.30 -0.08 0.00 0.61 0.00 0.00 42.46 41.75 1t3k s ILE 104 CO 0.12 0.42 0.85 -0.22 -2.81 0.00 0.00 174.94 173.30 1t3k s LEU 105 N 1.43 4.58 -0.04 8.50 0.20 -0.65 -2.55 118.68 130.15 1t3k s LEU 105 Ca 0.02 1.72 0.11 0.00 0.69 0.00 0.00 54.13 56.67 1t3k s LEU 105 Cb -0.13 -3.41 -0.16 0.00 -0.43 0.00 0.00 46.19 42.05 1t3k s LEU 105 CO -0.08 0.13 0.19 -1.84 -0.29 0.00 0.00 176.35 174.47 1t3k n GLU 106 N 1.89 0.88 -0.01 1.98 0.00 -1.26 -4.51 120.64 119.61 1t3k n GLU 106 Ca -0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 57.16 57.05 1t3k n GLU 106 Cb 0.48 -1.27 -0.00 0.00 0.00 0.00 0.00 31.44 30.66 1t3k n GLU 106 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1t3k n ARG 107 N -2.03 0.03 0.00 3.44 3.00 -1.26 -4.83 116.66 115.01 1t3k n ARG 107 Ca -0.06 0.24 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1t3k n ARG 107 Cb 0.44 -0.79 0.00 0.00 0.00 0.00 0.00 32.46 32.11 1t3k n ARG 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1t3k n GLY 108 N 1.72 1.24 0.75 5.14 0.00 -1.26 -2.87 105.19 109.91 1t3k n GLY 108 Ca -0.01 0.33 -0.04 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.00 0.05 1.61 -1.74 -1.26 -4.90 117.46 111.22 1t3k n PHE 109 Ca 0.00 -0.28 -0.13 0.00 -0.56 0.00 0.00 57.45 56.48 1t3k n PHE 109 Cb 0.00 0.39 -0.08 0.00 1.52 0.00 0.00 39.48 41.31 1t3k n PHE 109 CO 0.00 0.00 0.00 -2.95 -0.56 0.00 0.00 176.76 173.25 1t3k h ASN 110 N 0.00 -0.05 0.16 5.98 7.08 -1.44 -0.91 115.58 126.40 1t3k h ASN 110 Ca -0.32 -0.13 -0.08 0.00 -3.08 0.00 0.00 56.30 52.68 1t3k h ASN 110 Cb 1.08 0.01 -0.01 0.00 -2.08 0.00 0.00 38.32 37.32 1t3k h ASN 110 CO -0.16 0.10 -0.29 1.23 -2.08 0.00 0.00 177.43 176.23 1t3k h GLY 111 N -0.20 0.23 0.87 9.14 0.00 -1.88 -0.86 103.07 110.37 1t3k h GLY 111 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1t3k h GLY 111 CO 0.01 0.17 -0.19 -0.25 0.00 0.00 0.00 176.54 176.28 1t3k h TRP 112 N 0.19 -0.49 0.02 5.60 2.91 -1.81 1.63 115.95 124.01 1t3k h TRP 112 Ca 0.03 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.04 1t3k h TRP 112 Cb 0.62 0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.45 1t3k h TRP 112 CO 0.01 -0.29 -0.01 0.93 -1.03 0.00 0.00 178.44 178.05 1t3k h GLU 113 N -0.45 -0.03 0.02 2.65 4.39 -1.07 1.21 114.58 121.30 1t3k h GLU 113 Ca -0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1t3k h GLU 113 Cb 0.39 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1t3k h GLU 113 CO 0.00 0.32 -0.01 0.00 -1.16 0.00 0.00 179.01 178.17 1t3k h ALA 114 N 0.58 -0.03 -0.18 3.43 0.00 -1.10 0.18 119.26 122.15 1t3k h ALA 114 Ca -0.00 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1t3k h ALA 114 Cb 0.36 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1t3k h ALA 114 CO 0.01 -0.35 -0.37 1.03 0.00 0.00 0.00 179.25 179.57 1t3k h SER 115 N -0.36 -1.16 0.00 0.00 0.87 0.23 -3.40 113.55 109.74 1t3k h SER 115 Ca -0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1t3k h SER 115 Cb 0.34 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1t3k h SER 115 CO 0.00 -0.38 0.00 0.61 -0.53 0.00 0.00 176.83 176.53 1t3k n GLY 116 N -1.42 0.78 3.74 5.77 0.00 -1.18 -5.03 105.19 107.84 1t3k n GLY 116 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1t3k n GLY 116 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1t3k n LYS 117 N 0.00 -0.80 -0.32 1.61 2.85 0.41 -4.68 118.16 117.23 1t3k n LYS 117 Ca 0.00 -0.03 -0.04 0.00 -1.05 0.00 0.00 58.31 57.19 1t3k n LYS 117 Cb 0.39 -1.78 -0.05 0.00 -0.65 0.00 0.00 35.03 32.94 1t3k n LYS 117 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1t3k n PRO 118 N -3.29 0.65 -3.41 -1.58 -0.02 -1.18 -4.82 135.00 121.35 1t3k n PRO 118 Ca -0.15 -0.30 -0.38 0.00 -2.02 0.00 0.00 63.50 60.64 1t3k n PRO 118 Cb 0.39 -1.63 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 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 2.18 4.95 0.00 -1.45 0.11 -1.26 -4.90 120.40 120.02 1t3k s VAL 119 Ca 0.20 0.98 0.00 0.00 -2.93 0.00 0.00 61.98 60.23 1t3k s VAL 119 Cb 0.10 -3.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.16 1t3k s VAL 119 CO 0.00 0.55 0.00 0.00 -3.33 0.00 0.00 175.10 172.32 1t3k n ARG 121 N 0.00 -2.19 0.00 0.00 1.85 -1.26 -4.88 116.66 110.18 1t3k n ARG 121 Ca 0.00 0.22 0.00 0.00 -1.00 0.00 0.00 57.85 57.07 1t3k n ARG 121 Cb 0.00 -4.83 0.00 0.00 -1.05 0.00 0.00 32.46 26.58 1t3k n ARG 121 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t3k n ALA 123 N -3.00 0.00 -2.70 0.00 0.00 -1.26 -5.15 120.51 108.40 1t3k n ALA 123 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1t3k n ALA 123 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1t3k n ALA 123 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t3k s GLU 124 N -0.36 3.31 0.22 0.00 2.02 -1.26 -5.04 118.70 117.59 1t3k s GLU 124 Ca 0.00 -0.76 -0.07 0.00 0.02 0.00 0.00 54.97 54.16 1t3k s GLU 124 Cb 0.00 -2.81 0.18 0.00 0.10 0.00 0.00 34.13 31.61 1t3k s GLU 124 CO 0.00 0.21 1.74 -0.39 0.02 0.00 0.00 175.26 176.84 1t3k h VAL 125 N 0.95 1.26 -1.36 2.63 -1.51 -2.02 -3.05 116.25 113.15 1t3k h VAL 125 Ca -0.49 -0.95 0.40 0.00 -1.23 0.00 0.00 66.70 64.42 1t3k h VAL 125 Cb 1.24 0.57 -0.05 0.00 -2.13 0.00 0.00 31.29 30.91 1t3k h VAL 125 CO 0.58 0.36 1.13 1.55 -1.23 0.00 0.00 177.57 179.96 1t3k h PRO 126 N 1.02 0.00 -7.16 5.19 0.13 -2.05 -3.41 132.00 125.73 1t3k h PRO 126 Ca 0.21 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.81 1t3k h PRO 126 Cb 0.36 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.65 1t3k h PRO 126 CO 0.00 0.00 0.42 0.00 -0.23 0.00 0.00 178.00 178.19 1t3k n LYS 128 N -2.49 0.00 0.00 0.00 0.00 -1.26 -4.92 118.16 109.49 1t3k n LYS 128 Ca 0.14 0.49 -0.13 0.00 0.00 0.00 0.00 58.31 58.81 1t3k n LYS 128 Cb 0.50 -0.05 -0.09 0.00 0.00 0.00 0.00 35.03 35.39 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 0.01 -7.18 3.14 0.00 -1.86 -3.43 103.07 93.75 1t3k h GLY 129 Ca 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 47.33 46.96 1t3k h GLY 129 CO 0.00 0.00 -0.72 0.99 0.00 0.00 0.00 176.54 176.82 1t3k s ASP 130 N -5.52 1.20 0.00 0.19 1.11 -1.25 -4.74 116.67 107.66 1t3k s ASP 130 Ca -0.15 0.05 0.00 0.00 0.18 0.00 0.00 52.55 52.63 1t3k s ASP 130 Cb 0.03 -0.05 0.00 0.00 1.07 0.00 0.00 42.92 43.98 1t3k s ASP 130 CO 0.67 -0.26 0.00 0.00 1.18 0.00 0.00 175.17 176.76