#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 -3.06 -2.29 -5.12 0.00 -1.26 -5.00 120.51 103.78 1t3k n ALA 2 Ca 0.00 1.13 -0.04 0.00 0.00 0.00 0.00 53.44 54.53 1t3k n ALA 2 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 19.45 15.92 1t3k n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3k n MET 3 N -0.21 0.59 -3.03 0.00 -0.00 -1.26 -5.05 117.12 108.16 1t3k n MET 3 Ca 0.11 -0.91 -0.12 0.00 -0.00 0.00 0.00 57.70 56.78 1t3k n MET 3 Cb 0.42 0.42 -0.03 0.00 -0.00 0.00 0.00 33.22 34.03 1t3k n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t3k s ALA 4 N 0.06 -0.93 -0.38 3.17 0.00 -1.26 -4.88 121.76 117.53 1t3k s ALA 4 Ca 0.04 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.06 1t3k s ALA 4 Cb 0.19 -2.32 0.31 0.00 0.00 0.00 0.00 23.12 21.29 1t3k s ALA 4 CO -0.06 -2.15 0.65 0.54 0.00 0.00 0.00 175.76 174.75 1t3k n ARG 5 N 3.12 0.86 -1.47 0.00 5.12 -1.26 -5.11 116.66 117.92 1t3k n ARG 5 Ca 0.21 -3.26 0.08 0.00 -1.93 0.00 0.00 57.85 52.95 1t3k n ARG 5 Cb 0.53 -1.48 -0.04 0.00 -1.16 0.00 0.00 32.46 30.30 1t3k n ARG 5 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1t3k n SER 6 N 0.78 -7.94 -3.66 0.55 7.64 -1.26 -4.83 113.62 104.89 1t3k n SER 6 Ca 0.23 1.65 -0.21 0.00 1.01 0.00 0.00 58.87 61.55 1t3k n SER 6 Cb 0.61 -4.87 0.04 0.00 -1.01 0.00 0.00 64.21 58.98 1t3k n SER 6 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1t3k n ILE 7 N -3.34 -4.66 -3.94 0.44 -0.00 0.22 -4.99 119.36 103.09 1t3k n ILE 7 Ca -0.04 -0.48 -0.09 0.00 -0.00 0.00 0.00 62.75 62.14 1t3k n ILE 7 Cb 0.56 -3.98 -0.07 0.00 -0.00 0.00 0.00 39.64 36.15 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 -4.32 0.06 0.39 4.38 1.04 -1.05 -4.92 113.70 109.28 1t3k s SER 8 Ca 0.03 -0.84 -0.10 0.00 0.48 0.00 0.00 55.95 55.52 1t3k s SER 8 Cb -0.01 0.42 -0.06 0.00 0.10 0.00 0.00 66.02 66.46 1t3k s SER 8 CO 0.80 -0.86 0.75 -0.72 0.98 0.00 0.00 173.24 174.19 1t3k s TYR 9 N -3.95 3.47 -0.05 5.02 -0.85 -1.26 -1.12 117.35 118.62 1t3k s TYR 9 Ca 0.15 1.01 0.04 0.00 -0.52 0.00 0.00 57.07 57.75 1t3k s TYR 9 Cb 0.04 -2.41 -0.00 0.00 0.38 0.00 0.00 41.96 39.96 1t3k s TYR 9 CO -0.02 -0.08 -0.17 0.96 -1.52 0.00 0.00 175.55 174.72 1t3k s ILE 10 N -2.34 1.43 0.88 -3.49 -5.25 -0.74 -4.82 121.20 106.86 1t3k s ILE 10 Ca 0.51 -0.71 -0.12 0.00 -0.99 0.00 0.00 60.65 59.33 1t3k s ILE 10 Cb -0.10 -1.23 0.12 0.00 2.95 0.00 0.00 42.46 44.19 1t3k s ILE 10 CO 0.31 0.41 1.14 -0.89 -1.79 0.00 0.00 174.94 174.12 1t3k s THR 11 N 0.09 2.13 0.27 8.37 2.01 -1.26 -3.14 115.64 124.10 1t3k s THR 11 Ca -0.05 0.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.96 1t3k s THR 11 Cb -0.12 -2.84 0.30 0.00 0.01 0.00 0.00 72.50 69.85 1t3k s THR 11 CO 0.02 -0.06 1.64 0.28 -0.69 0.00 0.00 174.62 175.81 1t3k h SER 12 N -1.36 -0.22 0.35 3.53 0.02 -2.01 0.16 113.55 114.02 1t3k h SER 12 Ca -0.49 0.20 -0.24 0.00 -0.84 0.00 0.00 61.79 60.42 1t3k h SER 12 Cb 1.32 0.32 0.01 0.00 0.14 0.00 0.00 62.40 64.19 1t3k h SER 12 CO 0.62 -0.18 -1.02 0.71 -1.14 0.00 0.00 176.83 175.82 1t3k h THR 13 N 0.14 1.40 -0.07 -2.27 1.35 -2.02 -3.13 112.91 108.32 1t3k h THR 13 Ca 0.48 -2.54 0.02 0.00 -0.55 0.00 0.00 66.41 63.82 1t3k h THR 13 Cb 0.90 2.53 -0.00 0.00 -1.73 0.00 0.00 68.15 69.85 1t3k h THR 13 CO -0.68 0.76 0.22 1.56 -0.25 0.00 0.00 175.52 177.13 1t3k h GLN 14 N 0.22 0.00 0.00 4.72 4.20 -1.05 0.79 115.11 123.98 1t3k h GLN 14 Ca -0.10 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 1t3k h GLN 14 Cb 1.68 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.45 1t3k h GLN 14 CO 0.18 0.00 -0.43 1.25 -0.67 0.00 0.00 178.83 179.16 1t3k h LEU 15 N 0.00 0.00 0.24 1.46 5.85 -1.25 -3.30 115.31 118.31 1t3k h LEU 15 Ca 0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1t3k h LEU 15 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1t3k h LEU 15 CO -0.00 0.43 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.34 1t3k h LEU 16 N 0.00 -0.28 -2.13 2.25 4.07 0.47 -1.71 115.31 117.99 1t3k h LEU 16 Ca -0.00 -0.21 0.07 0.00 0.08 0.00 0.00 57.88 57.81 1t3k h LEU 16 Cb 1.08 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 1t3k h LEU 16 CO 0.06 0.09 0.21 -0.65 -1.08 0.00 0.00 178.44 177.07 1t3k h PRO 17 N -0.68 0.00 0.00 1.13 0.11 -1.66 -3.36 132.00 127.53 1t3k h PRO 17 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1t3k h PRO 17 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1t3k h PRO 17 CO 0.06 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.13 1t3k n LEU 18 N -4.09 0.07 -4.17 2.35 4.32 -1.20 -4.96 117.00 109.31 1t3k n LEU 18 Ca 0.03 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.61 1t3k n LEU 18 Cb 0.35 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.13 1t3k n LEU 18 CO 0.31 0.00 -0.29 1.41 -1.22 0.00 0.00 177.39 177.60 1t3k n HIS 19 N -0.20 -1.34 -0.28 -1.77 8.25 -0.65 -4.81 115.22 114.43 1t3k n HIS 19 Ca 0.00 0.27 -0.11 0.00 -0.26 0.00 0.00 57.72 57.62 1t3k n HIS 19 Cb 0.00 -2.80 -0.08 0.00 1.12 0.00 0.00 29.99 28.23 1t3k n HIS 19 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1t3k h ARG 20 N -2.33 -0.18 0.00 -0.41 9.65 -1.92 -3.48 114.38 115.71 1t3k h ARG 20 Ca -0.69 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.20 1t3k h ARG 20 Cb 1.40 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 30.02 1t3k h ARG 20 CO 0.59 -0.12 0.00 2.89 2.80 0.00 0.00 179.97 186.14 1t3k n ARG 21 N -5.33 -2.49 0.10 0.20 1.85 -1.26 -4.94 116.66 104.80 1t3k n ARG 21 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.87 1t3k n ARG 21 Cb 0.31 0.00 0.12 0.00 -1.05 0.00 0.00 32.46 31.84 1t3k n ARG 21 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1t3k n PRO 22 N -0.46 0.03 0.00 2.89 -0.02 -1.26 -1.84 135.00 134.34 1t3k n PRO 22 Ca 0.00 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1t3k n PRO 22 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1t3k n PRO 22 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1t3k n ASN 23 N -1.62 0.00 -4.89 2.55 6.94 -1.26 -4.58 115.26 112.39 1t3k n ASN 23 Ca -0.00 0.38 -0.35 0.00 -0.02 0.00 0.00 54.58 54.59 1t3k n ASN 23 Cb 0.46 -0.38 -0.05 0.00 -2.36 0.00 0.00 39.78 37.45 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1t3k s ILE 24 N -2.74 5.44 -0.06 1.53 -1.16 -0.77 0.20 121.20 123.64 1t3k s ILE 24 Ca 0.00 -0.03 -0.26 0.00 -0.51 0.00 0.00 60.65 59.85 1t3k s ILE 24 Cb 0.00 -3.47 0.06 0.00 0.61 0.00 0.00 42.46 39.65 1t3k s ILE 24 CO 0.00 0.44 0.58 0.00 -2.81 0.00 0.00 174.94 173.15 1t3k s ALA 25 N -1.21 -1.50 -0.21 1.50 0.00 0.18 -4.90 121.76 115.61 1t3k s ALA 25 Ca 0.22 1.13 -0.08 0.00 0.00 0.00 0.00 51.96 53.23 1t3k s ALA 25 Cb -0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1t3k s ALA 25 CO 0.13 -0.33 0.08 0.42 0.00 0.00 0.00 175.76 176.05 1t3k s ILE 26 N -1.05 4.67 -0.05 0.00 1.09 -1.26 -1.03 121.20 123.57 1t3k s ILE 26 Ca -0.10 -0.07 -0.12 0.00 -1.10 0.00 0.00 60.65 59.26 1t3k s ILE 26 Cb -0.02 -3.14 -0.05 0.00 -1.06 0.00 0.00 42.46 38.19 1t3k s ILE 26 CO 0.08 0.40 0.32 -0.51 -0.10 0.00 0.00 174.94 175.12 1t3k s ILE 27 N 0.92 5.20 0.05 2.92 1.10 0.12 -1.07 121.20 130.44 1t3k s ILE 27 Ca 0.04 0.62 0.01 0.00 -0.51 0.00 0.00 60.65 60.82 1t3k s ILE 27 Cb -0.14 -3.61 -0.03 0.00 0.15 0.00 0.00 42.46 38.83 1t3k s ILE 27 CO 0.03 0.58 -0.06 -0.62 -2.11 0.00 0.00 174.94 172.76 1t3k s ASP 28 N -0.95 0.74 -0.10 4.50 -1.08 -0.18 -1.60 116.67 118.02 1t3k s ASP 28 Ca 0.21 -0.72 -0.05 0.00 -0.52 0.00 0.00 52.55 51.46 1t3k s ASP 28 Cb -0.15 0.09 0.04 0.00 -1.46 0.00 0.00 42.92 41.44 1t3k s ASP 28 CO 0.10 -0.35 0.23 0.54 0.52 0.00 0.00 175.17 176.20 1t3k s VAL 29 N -2.35 -0.03 0.00 1.11 0.11 -1.26 0.09 120.40 118.07 1t3k s VAL 29 Ca -0.03 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1t3k s VAL 29 Cb -0.03 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 1t3k s VAL 29 CO -0.03 0.05 0.00 -1.14 -3.33 0.00 0.00 175.10 170.65 1t3k n ARG 30 N 3.99 0.00 0.00 1.54 3.00 -0.14 -4.87 116.66 120.18 1t3k n ARG 30 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.62 1t3k n ARG 30 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.00 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 0.00 0.00 0.00 6.15 2.03 -1.20 -4.92 116.55 118.61 1t3k n ASP 31 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1t3k n ASP 31 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1t3k n ASP 31 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1t3k n GLU 32 N 0.00 0.00 0.13 -0.67 0.00 -1.26 -4.29 120.64 114.55 1t3k n GLU 32 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.14 1t3k n GLU 32 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 31.44 31.63 1t3k n GLU 32 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1t3k h GLU 33 N 0.00 0.06 0.00 5.31 4.57 -1.94 -2.97 114.58 119.60 1t3k h GLU 33 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1t3k h GLU 33 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1t3k h GLU 33 CO 0.00 0.61 -0.42 0.00 -1.18 0.00 0.00 179.01 178.02 1t3k h ARG 34 N 0.04 0.00 0.00 1.92 3.08 -1.92 -3.27 114.38 114.23 1t3k h ARG 34 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1t3k h ARG 34 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 1t3k h ARG 34 CO 0.08 0.00 -0.48 -0.97 -1.07 0.00 0.00 179.97 177.53 1t3k h ASN 35 N 0.00 0.00 0.44 7.04 -1.24 -1.87 -3.40 115.58 116.55 1t3k h ASN 35 Ca 0.00 -0.64 -0.02 0.00 0.71 0.00 0.00 56.30 56.35 1t3k h ASN 35 Cb 0.88 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.93 1t3k h ASN 35 CO 0.00 1.10 -0.21 1.88 -1.29 0.00 0.00 177.43 178.91 1t3k h TYR 36 N -1.00 -0.55 -1.29 0.67 0.05 -1.70 -3.46 116.97 109.69 1t3k h TYR 36 Ca -0.12 -0.01 -0.40 0.00 0.05 0.00 0.00 58.73 58.25 1t3k h TYR 36 Cb 0.96 0.18 -0.13 0.00 1.01 0.00 0.00 36.73 38.75 1t3k h TYR 36 CO 0.15 -0.25 -0.39 -0.25 -1.05 0.00 0.00 178.16 176.36 1t3k n ASP 37 N -5.27 -5.39 0.00 3.88 9.92 -1.23 -4.49 116.55 113.96 1t3k n ASP 37 Ca -0.11 0.38 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 1t3k n ASP 37 Cb 0.29 -4.57 0.00 0.00 -0.64 0.00 0.00 41.12 36.19 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 -0.67 -1.12 3.13 0.44 0.00 -1.26 -5.05 105.19 100.66 1t3k n GLY 38 Ca -0.20 0.63 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.14 -3.71 1.61 -0.00 -0.55 -4.82 115.22 107.89 1t3k n HIS 39 Ca 0.00 -2.44 -0.01 0.00 0.46 0.00 0.00 57.72 55.73 1t3k n HIS 39 Cb 0.00 -0.01 0.01 0.00 -0.12 0.00 0.00 29.99 29.87 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 -0.86 0.00 -3.89 3.57 -5.35 -1.24 -3.50 119.36 108.09 1t3k n ILE 40 Ca -0.06 -0.24 -0.11 0.00 -0.27 0.00 0.00 62.75 62.07 1t3k n ILE 40 Cb 0.57 0.37 -0.12 0.00 -1.74 0.00 0.00 39.64 38.72 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t3k s ALA 41 N -1.51 -0.13 0.11 -1.28 0.00 0.67 -2.66 121.76 116.96 1t3k s ALA 41 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1t3k s ALA 41 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1t3k s ALA 41 CO 0.02 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1t3k n GLY 42 N 2.26 -0.61 1.90 0.00 0.00 -1.21 -4.15 105.19 103.39 1t3k n GLY 42 Ca -0.18 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1t3k n GLY 42 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t3k n SER 43 N -4.00 -9.49 -4.32 1.61 7.64 -1.26 -3.66 113.62 100.14 1t3k n SER 43 Ca -0.01 1.39 -0.34 0.00 1.01 0.00 0.00 58.87 60.92 1t3k n SER 43 Cb 0.50 -5.24 -0.14 0.00 -1.01 0.00 0.00 64.21 58.32 1t3k n SER 43 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1t3k s LEU 44 N -2.27 2.80 0.19 -3.43 1.98 -0.23 -4.43 118.68 113.29 1t3k s LEU 44 Ca 0.00 -0.38 -0.14 0.00 -2.89 0.00 0.00 54.13 50.72 1t3k s LEU 44 Cb 0.00 -1.68 -0.07 0.00 0.66 0.00 0.00 46.19 45.09 1t3k s LEU 44 CO 0.00 0.04 0.59 -1.00 -1.89 0.00 0.00 176.35 174.09 1t3k s HIS 45 N 1.08 3.55 0.19 5.38 3.76 -1.26 -1.01 115.29 126.98 1t3k s HIS 45 Ca 0.01 1.07 -0.03 0.00 -0.15 0.00 0.00 55.06 55.96 1t3k s HIS 45 Cb -0.15 -2.39 -0.03 0.00 1.11 0.00 0.00 32.58 31.12 1t3k s HIS 45 CO -0.01 0.35 0.15 1.52 -0.85 0.00 0.00 174.74 175.90 1t3k s TYR 46 N -1.59 0.97 0.00 1.40 1.13 0.11 -4.55 117.35 114.82 1t3k s TYR 46 Ca 0.42 -1.25 0.00 0.00 -1.41 0.00 0.00 57.07 54.83 1t3k s TYR 46 Cb -0.14 -0.44 0.00 0.00 -1.10 0.00 0.00 41.96 40.28 1t3k s TYR 46 CO 0.20 -0.65 0.00 0.00 -2.51 0.00 0.00 175.55 172.59 1t3k n ALA 47 N -0.23 0.00 -1.75 9.51 0.00 -1.26 -0.96 120.51 125.82 1t3k n ALA 47 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1t3k n ALA 47 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 1t3k n ALA 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1t3k n SER 48 N -0.12 -0.46 0.26 0.00 3.41 -1.26 -4.44 113.62 111.00 1t3k n SER 48 Ca 0.00 -1.04 0.14 0.00 -0.26 0.00 0.00 58.87 57.71 1t3k n SER 48 Cb 0.00 0.14 0.61 0.00 -0.26 0.00 0.00 64.21 64.70 1t3k n SER 48 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1t3k h GLY 49 N 0.00 0.00 0.00 5.00 0.00 -2.01 -3.34 103.07 102.72 1t3k h GLY 49 Ca -0.26 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 1t3k h GLY 49 CO -0.13 0.00 -1.51 1.44 0.00 0.00 0.00 176.54 176.34 1t3k n SER 50 N -3.25 0.66 0.00 0.19 7.64 -1.26 -5.00 113.62 112.60 1t3k n SER 50 Ca 0.00 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1t3k n SER 50 Cb 0.34 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1t3k n SER 50 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1t3k n PHE 51 N -3.40 0.00 0.00 1.43 3.01 -1.25 -4.52 117.46 112.73 1t3k n PHE 51 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1t3k n PHE 51 Cb 0.63 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 1t3k n PHE 51 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1t3k n ASP 52 N 0.00 4.21 -0.18 4.37 9.92 -1.26 -4.27 116.55 129.34 1t3k n ASP 52 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.39 1t3k n ASP 52 Cb 0.00 0.77 0.68 0.00 -0.64 0.00 0.00 41.12 41.93 1t3k n ASP 52 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1t3k n ASP 53 N -1.35 0.56 -0.06 -2.24 -0.08 -1.26 -3.35 116.55 108.76 1t3k n ASP 53 Ca 0.00 -1.31 -0.03 0.00 -1.51 0.00 0.00 54.79 51.94 1t3k n ASP 53 Cb 0.07 -0.01 -0.14 0.00 2.34 0.00 0.00 41.12 43.38 1t3k n ASP 53 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1t3k n LYS 54 N -0.51 1.04 0.03 -0.67 4.01 -1.26 -4.16 118.16 116.64 1t3k n LYS 54 Ca 0.19 -0.05 0.11 0.00 -0.51 0.00 0.00 58.31 58.05 1t3k n LYS 54 Cb 0.18 -1.43 0.08 0.00 -0.51 0.00 0.00 35.03 33.35 1t3k n LYS 54 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1t3k n ILE 55 N -2.49 0.17 0.10 -0.18 -0.00 -1.23 -2.54 119.36 113.19 1t3k n ILE 55 Ca -0.21 -0.20 0.02 0.00 -0.00 0.00 0.00 62.75 62.36 1t3k n ILE 55 Cb 0.89 0.18 -0.02 0.00 -0.00 0.00 0.00 39.64 40.70 1t3k n ILE 55 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1t3k h SER 56 N 0.00 0.00 -0.14 4.38 4.64 -1.77 0.16 113.55 120.81 1t3k h SER 56 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1t3k h SER 56 Cb 0.69 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1t3k h SER 56 CO 0.00 0.53 -0.63 -0.74 -0.87 0.00 0.00 176.83 175.12 1t3k h HIS 57 N 0.00 0.91 0.04 4.77 6.17 -1.72 0.11 115.15 125.43 1t3k h HIS 57 Ca -0.06 -0.39 -0.22 0.00 0.71 0.00 0.00 60.37 60.40 1t3k h HIS 57 Cb 1.45 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 31.22 1t3k h HIS 57 CO 0.00 1.20 -1.04 -0.07 0.71 0.00 0.00 177.93 178.73 1t3k h LEU 58 N 0.36 0.15 -0.66 0.26 4.07 -1.43 -2.67 115.31 115.39 1t3k h LEU 58 Ca -0.04 -0.15 -0.13 0.00 0.08 0.00 0.00 57.88 57.64 1t3k h LEU 58 Cb 1.26 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 1t3k h LEU 58 CO 0.13 1.09 -0.35 0.58 -1.08 0.00 0.00 178.44 178.81 1t3k h VAL 59 N 0.03 1.29 0.00 1.22 2.07 -0.64 -1.55 116.25 118.67 1t3k h VAL 59 Ca -0.05 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 1t3k h VAL 59 Cb 1.78 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 1t3k h VAL 59 CO 0.15 0.48 -0.26 1.56 0.02 0.00 0.00 177.57 179.52 1t3k h GLN 60 N 0.55 0.00 -1.10 1.57 1.08 -0.76 -3.17 115.11 113.28 1t3k h GLN 60 Ca 0.06 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.68 1t3k h GLN 60 Cb 0.86 0.00 -0.42 0.00 -0.05 0.00 0.00 27.48 27.87 1t3k h GLN 60 CO 0.07 0.26 -0.67 0.09 -0.95 0.00 0.00 178.83 177.64 1t3k n ASN 61 N -3.41 5.01 0.04 1.46 5.03 -0.95 -4.79 115.26 117.65 1t3k n ASN 61 Ca 0.00 -3.74 0.12 0.00 0.87 0.00 0.00 54.58 51.83 1t3k n ASN 61 Cb 0.46 -0.43 0.58 0.00 -1.02 0.00 0.00 39.78 39.37 1t3k n ASN 61 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1t3k h VAL 62 N 2.29 0.90 -0.69 2.41 2.07 -1.27 -3.46 116.25 118.51 1t3k h VAL 62 Ca 0.36 -0.07 -0.30 0.00 0.82 0.00 0.00 66.70 67.51 1t3k h VAL 62 Cb 1.23 0.67 -0.12 0.00 -1.52 0.00 0.00 31.29 31.55 1t3k h VAL 62 CO 0.84 0.04 -0.27 0.29 0.02 0.00 0.00 177.57 178.49 1t3k n LYS 63 N -4.46 -1.52 0.00 1.57 5.02 -1.26 -4.05 118.16 113.46 1t3k n LYS 63 Ca 0.06 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.35 1t3k n LYS 63 Cb 0.33 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 29.98 1t3k n LYS 63 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1t3k n ASP 64 N -1.13 0.00 -4.58 4.39 8.00 -1.26 -4.71 116.55 117.26 1t3k n ASP 64 Ca -0.14 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.93 1t3k n ASP 64 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 1t3k n ASP 64 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1t3k s LYS 65 N 0.00 3.57 -0.24 -1.24 0.00 -1.26 -4.76 119.74 115.81 1t3k s LYS 65 Ca 0.00 0.29 -0.08 0.00 0.00 0.00 0.00 55.97 56.18 1t3k s LYS 65 Cb 0.00 -3.96 0.11 0.00 0.00 0.00 0.00 37.83 33.97 1t3k s LYS 65 CO 0.00 -1.47 0.52 0.34 0.00 0.00 0.00 175.35 174.74 1t3k s ASP 66 N 2.65 -0.65 -0.09 0.03 -1.08 -1.24 -4.67 116.67 111.61 1t3k s ASP 66 Ca 0.42 1.25 0.04 0.00 -0.52 0.00 0.00 52.55 53.74 1t3k s ASP 66 Cb -0.08 1.77 -0.00 0.00 -1.46 0.00 0.00 42.92 43.15 1t3k s ASP 66 CO 0.27 -0.23 -0.24 -0.89 0.52 0.00 0.00 175.17 174.61 1t3k s THR 67 N 2.74 2.03 -0.09 1.71 2.01 0.54 0.85 115.64 125.43 1t3k s THR 67 Ca -0.04 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 60.99 1t3k s THR 67 Cb -0.12 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.64 1t3k s THR 67 CO -0.15 0.55 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.92 1t3k s LEU 68 N 0.29 1.90 -0.16 4.42 1.98 0.40 -0.65 118.68 126.87 1t3k s LEU 68 Ca -0.17 -0.45 -0.02 0.00 -2.89 0.00 0.00 54.13 50.60 1t3k s LEU 68 Cb -0.17 -1.17 -0.01 0.00 0.66 0.00 0.00 46.19 45.50 1t3k s LEU 68 CO 0.08 0.11 -0.09 -0.69 -1.89 0.00 0.00 176.35 173.87 1t3k s VAL 69 N 0.48 3.27 0.16 1.68 1.01 -0.20 -0.80 120.40 126.00 1t3k s VAL 69 Ca -0.17 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1t3k s VAL 69 Cb -0.17 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1t3k s VAL 69 CO 0.07 0.49 0.24 0.72 0.00 0.00 0.00 175.10 176.62 1t3k s PHE 70 N 0.69 3.37 0.00 5.22 -0.12 -0.83 0.11 117.98 126.43 1t3k s PHE 70 Ca -0.05 0.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 1t3k s PHE 70 Cb -0.15 -1.61 0.00 0.00 -0.63 0.00 0.00 43.02 40.63 1t3k s PHE 70 CO 0.02 0.51 0.00 1.58 -0.05 0.00 0.00 175.22 177.29 1t3k n HIS 71 N -0.53 0.00 0.00 3.49 -0.00 -0.63 -4.10 115.22 113.46 1t3k n HIS 71 Ca -0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.11 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 4.00 0.00 0.00 0.26 2.88 -1.26 -4.66 113.62 114.84 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 -1.93 1.12 -2.22 -1.46 0.00 -1.26 -0.94 120.51 113.81 1t3k n ALA 73 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1t3k n ALA 73 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1t3k n ALA 73 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1t3k n LEU 74 N -0.78 -0.66 -4.28 0.00 -0.00 -1.26 -1.87 117.00 108.15 1t3k n LEU 74 Ca 0.00 -1.66 -0.34 0.00 -0.00 0.00 0.00 56.01 54.01 1t3k n LEU 74 Cb 0.00 0.29 -0.06 0.00 -0.00 0.00 0.00 43.42 43.65 1t3k n LEU 74 CO 0.00 1.22 -0.27 -1.54 -0.00 0.00 0.00 177.39 176.80 1t3k n SER 75 N -0.45 -0.76 0.19 1.96 3.41 -1.26 -4.76 113.62 111.94 1t3k n SER 75 Ca -0.12 -1.16 0.18 0.00 -0.26 0.00 0.00 58.87 57.51 1t3k n SER 75 Cb 0.60 -2.13 0.79 0.00 -0.26 0.00 0.00 64.21 63.22 1t3k n SER 75 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1t3k h GLN 76 N -1.53 0.00 0.00 4.33 3.07 -1.97 -3.40 115.11 115.61 1t3k h GLN 76 Ca -0.63 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.11 1t3k h GLN 76 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.95 1t3k h GLN 76 CO 0.75 0.00 0.00 1.33 0.09 0.00 0.00 178.83 181.00 1t3k n VAL 77 N -3.48 0.00 0.16 1.86 0.24 -1.26 -4.97 118.33 110.87 1t3k n VAL 77 Ca 0.03 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.37 1t3k n VAL 77 Cb 0.49 0.00 0.14 0.00 -1.47 0.00 0.00 33.84 33.00 1t3k n VAL 77 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1t3k h ARG 78 N 0.00 0.00 -0.95 7.34 3.08 -1.97 -3.36 114.38 118.52 1t3k h ARG 78 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 1t3k h ARG 78 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.93 1t3k h ARG 78 CO 0.00 0.46 -0.52 0.41 -1.07 0.00 0.00 179.97 179.26 1t3k n GLY 79 N 0.87 -2.35 0.38 0.04 0.00 -1.26 0.20 105.19 103.07 1t3k n GLY 79 Ca 0.01 1.12 0.15 0.00 0.00 0.00 0.00 46.02 47.30 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 0.38 -0.45 1.61 0.11 -1.90 0.43 132.00 132.17 1t3k h PRO 80 Ca 0.19 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 1t3k h PRO 80 Cb 0.43 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1t3k h PRO 80 CO -0.91 0.25 -0.03 1.15 -0.21 0.00 0.00 178.00 178.26 1t3k h THR 81 N 0.39 1.24 -0.50 -1.15 2.02 0.21 0.18 112.91 115.30 1t3k h THR 81 Ca 0.35 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.54 1t3k h THR 81 Cb 0.82 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1t3k h THR 81 CO -0.10 0.35 0.29 0.00 0.37 0.00 0.00 175.52 176.43 1t3k h ALA 83 N 1.22 1.07 -0.21 0.00 0.00 -0.96 -2.27 119.26 118.11 1t3k h ALA 83 Ca 0.20 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1t3k h ALA 83 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1t3k h ALA 83 CO -0.09 0.67 0.06 0.00 0.00 0.00 0.00 179.25 179.88 1t3k h ARG 84 N 0.00 0.14 -0.02 0.00 -0.00 0.89 0.43 114.38 115.81 1t3k h ARG 84 Ca -0.01 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.98 59.35 1t3k h ARG 84 Cb 0.97 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.90 1t3k h ARG 84 CO 0.07 0.09 -0.51 0.07 0.00 0.00 0.00 179.97 179.69 1t3k h ARG 85 N 0.14 0.07 -0.90 0.04 -0.00 -1.18 -1.60 114.38 110.95 1t3k h ARG 85 Ca 0.09 -0.04 0.04 0.00 -0.00 0.00 0.00 59.98 60.07 1t3k h ARG 85 Cb 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 29.99 1t3k h ARG 85 CO -0.11 0.56 0.58 1.25 -0.00 0.00 0.00 179.97 182.26 1t3k h LEU 86 N 0.05 0.96 -0.88 0.08 6.46 -0.69 0.00 115.31 121.29 1t3k h LEU 86 Ca -0.00 -0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 1t3k h LEU 86 Cb 0.93 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 1t3k h LEU 86 CO 0.07 0.65 -0.12 0.58 -0.62 0.00 0.00 178.44 179.00 1t3k h VAL 87 N 1.12 1.25 -0.06 1.05 2.07 -0.41 -1.47 116.25 119.81 1t3k h VAL 87 Ca 0.37 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1t3k h VAL 87 Cb 0.03 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1t3k h VAL 87 CO -0.13 0.39 -0.02 -0.55 0.02 0.00 0.00 177.57 177.28 1t3k h ASN 88 N 0.63 -0.06 -0.10 0.57 -1.07 -0.06 0.48 115.58 115.98 1t3k h ASN 88 Ca 0.11 0.02 -0.02 0.00 0.07 0.00 0.00 56.30 56.47 1t3k h ASN 88 Cb 0.57 0.04 -0.00 0.00 -2.07 0.00 0.00 38.32 36.86 1t3k h ASN 88 CO 0.04 -0.02 -0.03 0.22 0.07 0.00 0.00 177.43 177.70 1t3k h TYR 89 N -0.00 0.22 -0.57 4.14 5.03 -1.32 -1.58 116.97 122.88 1t3k h TYR 89 Ca 0.03 -0.05 0.16 0.00 2.58 0.00 0.00 58.73 61.45 1t3k h TYR 89 Cb 0.05 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 1t3k h TYR 89 CO -0.12 0.52 0.41 1.37 -1.32 0.00 0.00 178.16 179.02 1t3k h LEU 90 N -0.15 0.01 -0.46 2.82 8.10 -1.07 0.55 115.31 125.10 1t3k h LEU 90 Ca 0.02 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.86 1t3k h LEU 90 Cb 0.46 -0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.67 1t3k h LEU 90 CO 0.01 0.01 -0.41 -0.78 -4.11 0.00 0.00 178.44 173.15 1t3k h ASP 91 N 0.01 0.89 -0.28 0.17 1.82 0.49 0.85 116.42 120.37 1t3k h ASP 91 Ca 0.27 -0.41 -0.11 0.00 -0.39 0.00 0.00 57.03 56.39 1t3k h ASP 91 Cb 1.06 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 1t3k h ASP 91 CO -0.01 1.18 -0.20 -0.33 -1.61 0.00 0.00 179.24 178.27 1t3k h GLU 92 N 0.67 0.75 0.00 0.28 4.39 0.99 -3.41 114.58 118.24 1t3k h GLU 92 Ca 0.05 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1t3k h GLU 92 Cb 0.98 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1t3k h GLU 92 CO 0.09 0.89 0.00 1.17 -1.16 0.00 0.00 179.01 180.00 1t3k n LYS 93 N -4.12 0.00 0.00 2.33 3.00 -0.20 -5.11 118.16 114.06 1t3k n LYS 93 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1t3k n LYS 93 Cb 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 35.03 35.31 1t3k n LYS 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1t3k n LYS 94 N -1.92 0.00 -3.44 1.64 4.81 0.29 -4.98 118.16 114.57 1t3k n LYS 94 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 1t3k n LYS 94 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1t3k n LYS 94 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1t3k n GLU 95 N -0.49 -3.23 0.00 1.64 1.02 -1.26 -4.91 120.64 113.41 1t3k n GLU 95 Ca 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1t3k n GLU 95 Cb 0.00 -5.13 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 1t3k n GLU 95 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1t3k n ASP 96 N -2.29 0.00 -3.73 1.62 2.03 -1.26 -4.88 116.55 108.04 1t3k n ASP 96 Ca -0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1t3k n ASP 96 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1t3k n ASP 96 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1t3k n THR 97 N 0.00 -3.16 0.17 5.18 5.66 -1.26 -4.76 114.28 116.12 1t3k n THR 97 Ca 0.00 -0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.04 1t3k n THR 97 Cb 0.00 -2.82 0.21 0.00 -1.55 0.00 0.00 70.33 66.17 1t3k n THR 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1t3k n GLY 98 N -1.47 -0.74 3.83 1.09 0.00 -1.26 -4.63 105.19 102.01 1t3k n GLY 98 Ca -0.30 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1t3k n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t3k s ILE 99 N -3.12 4.78 0.25 -0.61 1.09 -1.26 -4.68 121.20 117.65 1t3k s ILE 99 Ca 0.02 1.02 0.04 0.00 -1.10 0.00 0.00 60.65 60.62 1t3k s ILE 99 Cb 0.04 -3.81 -0.01 0.00 -1.06 0.00 0.00 42.46 37.62 1t3k s ILE 99 CO 0.12 0.36 1.61 0.50 -0.10 0.00 0.00 174.94 177.43 1t3k h LYS 100 N 3.92 0.32 -2.47 2.79 1.63 0.19 -3.44 116.57 119.50 1t3k h LYS 100 Ca -0.49 -0.18 -0.08 0.00 -0.85 0.00 0.00 60.65 59.05 1t3k h LYS 100 Cb 1.20 0.01 -0.26 0.00 -0.60 0.00 0.00 32.23 32.58 1t3k h LYS 100 CO 0.65 0.75 -0.29 0.54 -3.45 0.00 0.00 179.45 177.65 1t3k s ASN 101 N -6.89 -0.48 -0.19 4.20 4.22 -1.03 -5.01 114.94 109.76 1t3k s ASN 101 Ca -0.05 1.05 -0.06 0.00 -2.14 0.00 0.00 52.86 51.66 1t3k s ASN 101 Cb 0.12 1.22 -0.03 0.00 1.28 0.00 0.00 41.25 43.84 1t3k s ASN 101 CO 0.80 -0.22 0.01 0.27 -2.04 0.00 0.00 177.10 175.92 1t3k s ILE 102 N 2.10 4.19 0.21 0.54 -5.25 -1.26 -0.45 121.20 121.29 1t3k s ILE 102 Ca -0.06 -0.24 -0.02 0.00 -0.99 0.00 0.00 60.65 59.34 1t3k s ILE 102 Cb -0.10 -2.89 -0.03 0.00 2.95 0.00 0.00 42.46 42.39 1t3k s ILE 102 CO -0.14 0.44 0.19 -0.04 -1.79 0.00 0.00 174.94 173.60 1t3k s MET 103 N 0.75 1.28 -0.01 0.37 -1.94 0.02 0.73 119.30 120.50 1t3k s MET 103 Ca 0.01 -1.60 0.07 0.00 -1.71 0.00 0.00 55.69 52.47 1t3k s MET 103 Cb -0.14 0.30 -0.02 0.00 2.01 0.00 0.00 34.83 36.98 1t3k s MET 103 CO 0.02 -0.44 -0.24 -1.50 -0.01 0.00 0.00 175.02 172.85 1t3k s ILE 104 N -4.09 1.88 0.26 2.53 -1.16 -0.27 -1.97 121.20 118.36 1t3k s ILE 104 Ca 0.37 -1.03 -0.30 0.00 -0.51 0.00 0.00 60.65 59.18 1t3k s ILE 104 Cb 0.06 -1.56 -0.09 0.00 0.61 0.00 0.00 42.46 41.48 1t3k s ILE 104 CO 0.12 0.52 1.14 -1.48 -2.81 0.00 0.00 174.94 172.43 1t3k s LEU 105 N -0.60 4.51 0.05 8.50 -0.00 -1.26 -1.79 118.68 128.10 1t3k s LEU 105 Ca 0.09 2.29 -0.02 0.00 -0.00 0.00 0.00 54.13 56.49 1t3k s LEU 105 Cb -0.09 -3.62 -0.27 0.00 -0.00 0.00 0.00 46.19 42.20 1t3k s LEU 105 CO -0.01 -0.24 1.04 1.05 -0.00 0.00 0.00 176.35 178.20 1t3k h GLU 106 N 4.18 0.23 0.00 1.48 -0.00 -1.80 -3.37 114.58 115.30 1t3k h GLU 106 Ca -0.46 -0.39 -0.22 0.00 -0.00 0.00 0.00 59.36 58.28 1t3k h GLU 106 Cb 1.21 0.15 -0.03 0.00 -0.00 0.00 0.00 28.75 30.07 1t3k h GLU 106 CO 0.69 1.14 -1.77 -2.13 -0.00 0.00 0.00 179.01 176.94 1t3k n ARG 107 N -3.47 0.30 0.00 1.06 3.00 -1.25 -4.67 116.66 111.64 1t3k n ARG 107 Ca -0.11 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1t3k n ARG 107 Cb 1.02 -1.06 0.00 0.00 0.00 0.00 0.00 32.46 32.42 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 2.32 0.21 0.55 5.14 0.00 -0.78 -1.05 105.19 111.57 1t3k n GLY 108 Ca -0.26 0.65 -0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.16 1.61 -1.74 -0.12 -4.83 117.46 112.22 1t3k n PHE 109 Ca 0.00 -0.04 -0.07 0.00 -0.56 0.00 0.00 57.45 56.78 1t3k n PHE 109 Cb 0.00 0.20 0.08 0.00 1.52 0.00 0.00 39.48 41.28 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 0.02 0.92 -0.49 5.98 -0.73 -1.27 -1.80 115.58 118.20 1t3k h ASN 110 Ca -0.04 -0.26 -0.10 0.00 1.87 0.00 0.00 56.30 57.77 1t3k h ASN 110 Cb 1.12 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 39.44 1t3k h ASN 110 CO -0.02 1.00 -0.06 1.23 -0.37 0.00 0.00 177.43 179.21 1t3k h GLY 111 N 0.99 1.03 0.66 1.57 0.00 -1.92 0.34 103.07 105.73 1t3k h GLY 111 Ca 0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1t3k h GLY 111 CO 0.03 0.71 -0.07 -0.25 0.00 0.00 0.00 176.54 176.96 1t3k h TRP 112 N 0.86 -0.18 0.08 5.60 2.91 -1.79 0.78 115.95 124.22 1t3k h TRP 112 Ca 0.15 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.16 1t3k h TRP 112 Cb 0.59 0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.30 1t3k h TRP 112 CO 0.04 0.16 -0.04 1.49 -1.03 0.00 0.00 178.44 179.06 1t3k h GLU 113 N -0.53 -0.11 0.02 2.65 4.81 -1.33 0.19 114.58 120.28 1t3k h GLU 113 Ca -0.02 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1t3k h GLU 113 Cb 0.42 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1t3k h GLU 113 CO 0.03 0.26 -0.01 0.00 -0.73 0.00 0.00 179.01 178.56 1t3k h ALA 114 N 0.39 -0.03 -0.00 2.92 0.00 -0.39 -3.39 119.26 118.76 1t3k h ALA 114 Ca -0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1t3k h ALA 114 Cb 0.41 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 17.96 1t3k h ALA 114 CO 0.02 -0.32 -0.84 0.45 0.00 0.00 0.00 179.25 178.55 1t3k n SER 115 N -4.92 1.26 -3.03 0.00 2.88 0.21 -4.86 113.62 105.17 1t3k n SER 115 Ca -0.08 -2.70 -0.15 0.00 -1.33 0.00 0.00 58.87 54.61 1t3k n SER 115 Cb 0.21 -0.38 -0.01 0.00 -0.75 0.00 0.00 64.21 63.28 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 -0.09 2.94 1.19 0.46 0.00 0.20 -4.79 105.19 105.09 1t3k n GLY 116 Ca 0.11 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 0.18 -2.82 0.00 1.61 2.85 -1.16 -4.46 118.16 114.36 1t3k n LYS 117 Ca 0.20 2.29 0.00 0.00 -1.05 0.00 0.00 58.31 59.75 1t3k n LYS 117 Cb 0.70 -3.20 0.00 0.00 -0.65 0.00 0.00 35.03 31.88 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 -3.70 0.00 -3.99 -1.58 -0.02 -1.26 -4.09 135.00 120.36 1t3k n PRO 118 Ca -0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.32 1t3k n PRO 118 Cb 0.54 -0.29 -0.11 0.00 -0.02 0.00 0.00 33.50 33.62 1t3k n PRO 118 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1t3k s VAL 119 N 0.00 0.15 0.12 -1.45 -7.23 -1.26 -3.87 120.40 106.86 1t3k s VAL 119 Ca 0.00 -0.94 -0.16 0.00 -1.81 0.00 0.00 61.98 59.07 1t3k s VAL 119 Cb 0.00 -0.31 -0.10 0.00 0.56 0.00 0.00 36.38 36.53 1t3k s VAL 119 CO 0.00 -0.50 0.29 0.00 -0.31 0.00 0.00 175.10 174.58 1t3k n ARG 121 N 0.57 0.00 0.00 0.00 0.63 -1.26 -1.48 116.66 115.12 1t3k n ARG 121 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1t3k n ARG 121 Cb 0.14 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.05 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 0.97 3.57 -2.46 0.00 0.00 -1.26 -5.08 120.51 116.25 1t3k n ALA 123 Ca 0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 53.44 52.35 1t3k n ALA 123 Cb 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.01 2.24 -0.23 0.00 0.41 -1.26 -5.09 118.70 114.75 1t3k s GLU 124 Ca 0.03 -2.10 -0.16 0.00 -0.41 0.00 0.00 54.97 52.33 1t3k s GLU 124 Cb 0.09 -2.00 -0.10 0.00 -1.78 0.00 0.00 34.13 30.34 1t3k s GLU 124 CO -0.03 -0.60 -0.34 0.28 -0.49 0.00 0.00 175.26 174.09 1t3k n VAL 125 N -1.70 1.52 0.47 2.63 0.31 -1.26 -4.51 118.33 115.78 1t3k n VAL 125 Ca -0.05 -0.15 0.03 0.00 -0.01 0.00 0.00 64.34 64.16 1t3k n VAL 125 Cb 0.65 -2.09 0.15 0.00 -0.91 0.00 0.00 33.84 31.64 1t3k n VAL 125 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1t3k n PRO 126 N -4.35 2.32 -1.68 5.55 -0.04 -1.26 -4.74 135.00 130.80 1t3k n PRO 126 Ca -0.37 -1.20 -0.49 0.00 -0.04 0.00 0.00 63.50 61.40 1t3k n PRO 126 Cb 0.72 -1.65 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 1t3k n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t3k n LYS 128 N 6.15 -2.92 -0.01 0.00 4.01 -1.26 -3.51 118.16 120.62 1t3k n LYS 128 Ca 0.23 2.01 -0.10 0.00 -0.51 0.00 0.00 58.31 59.93 1t3k n LYS 128 Cb 0.27 -3.53 -0.07 0.00 -0.51 0.00 0.00 35.03 31.19 1t3k n LYS 128 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1t3k h GLY 129 N -1.32 -1.25 -7.23 0.72 0.00 -1.85 -3.41 103.07 88.73 1t3k h GLY 129 Ca -0.01 0.68 -0.40 0.00 0.00 0.00 0.00 47.33 47.61 1t3k h GLY 129 CO 0.02 -0.33 -0.74 0.99 0.00 0.00 0.00 176.54 176.48 1t3k s ASP 130 N -4.09 1.52 -0.19 0.19 1.01 -1.24 -4.39 116.67 109.48 1t3k s ASP 130 Ca -0.10 -0.14 0.13 0.00 0.71 0.00 0.00 52.55 53.15 1t3k s ASP 130 Cb 0.05 -0.17 0.43 0.00 1.01 0.00 0.00 42.92 44.24 1t3k s ASP 130 CO 0.41 -0.28 1.21 0.00 0.21 0.00 0.00 175.17 176.71