#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 -2.09 0.00 3.17 0.00 -1.26 -5.12 121.76 116.46 1t3k s ALA 2 Ca 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.49 1t3k s ALA 2 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1t3k s ALA 2 CO 0.00 -1.05 0.02 -0.12 0.00 0.00 0.00 175.76 174.61 1t3k n MET 3 N -0.49 -4.92 -3.32 0.00 0.00 -1.26 -4.94 117.12 102.18 1t3k n MET 3 Ca -0.08 3.60 -0.39 0.00 -0.00 0.00 0.00 57.70 60.84 1t3k n MET 3 Cb 0.62 -4.57 -0.07 0.00 0.00 0.00 0.00 33.22 29.20 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 -0.58 3.55 -0.23 -5.12 0.00 -1.26 -5.06 121.76 113.06 1t3k s ALA 4 Ca -0.02 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.48 1t3k s ALA 4 Cb 0.00 -2.71 0.05 0.00 0.00 0.00 0.00 23.12 20.46 1t3k s ALA 4 CO 0.07 -0.36 -0.12 -0.98 0.00 0.00 0.00 175.76 174.36 1t3k s ARG 5 N 1.46 2.24 0.98 0.00 1.04 -1.26 -4.96 118.95 118.44 1t3k s ARG 5 Ca 0.21 -1.11 0.00 0.00 -1.04 0.00 0.00 55.73 53.79 1t3k s ARG 5 Cb -0.15 -2.70 0.00 0.00 -2.04 0.00 0.00 34.95 30.06 1t3k s ARG 5 CO 0.09 -0.48 0.00 0.43 -0.04 0.00 0.00 175.30 175.29 1t3k n SER 6 N 4.54 0.00 -4.88 -2.89 7.64 -1.26 -4.63 113.62 112.14 1t3k n SER 6 Ca -0.15 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.39 1t3k n SER 6 Cb 0.44 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.59 1t3k n SER 6 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1t3k s ILE 7 N 0.00 5.24 -0.07 0.44 2.07 -1.26 -4.10 121.20 123.52 1t3k s ILE 7 Ca 0.00 0.23 -0.05 0.00 -1.41 0.00 0.00 60.65 59.41 1t3k s ILE 7 Cb 0.00 -3.59 0.02 0.00 0.13 0.00 0.00 42.46 39.02 1t3k s ILE 7 CO 0.00 0.32 0.17 -0.94 -1.91 0.00 0.00 174.94 172.58 1t3k s SER 8 N -1.77 -0.17 -0.14 4.50 1.04 -0.58 -4.97 113.70 111.61 1t3k s SER 8 Ca 0.30 0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.97 1t3k s SER 8 Cb -0.13 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 1t3k s SER 8 CO 0.17 -0.08 0.22 -0.72 0.98 0.00 0.00 173.24 173.81 1t3k s TYR 9 N 0.34 3.52 -0.05 5.02 1.13 -1.26 -0.40 117.35 125.65 1t3k s TYR 9 Ca -0.02 0.56 0.04 0.00 -1.41 0.00 0.00 57.07 56.24 1t3k s TYR 9 Cb -0.03 -2.17 -0.00 0.00 -1.10 0.00 0.00 41.96 38.66 1t3k s TYR 9 CO -0.01 0.46 -0.17 0.96 -2.51 0.00 0.00 175.55 174.27 1t3k s ILE 10 N -0.21 1.45 0.53 -3.49 -4.36 -1.17 -4.87 121.20 109.10 1t3k s ILE 10 Ca 0.15 -0.72 0.02 0.00 -0.26 0.00 0.00 60.65 59.83 1t3k s ILE 10 Cb -0.13 -1.25 0.03 0.00 1.25 0.00 0.00 42.46 42.36 1t3k s ILE 10 CO 0.04 0.42 0.75 -0.89 0.24 0.00 0.00 174.94 175.49 1t3k s THR 11 N 0.07 2.70 0.00 8.37 2.01 -1.26 -1.50 115.64 126.03 1t3k s THR 11 Ca -0.05 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1t3k s THR 11 Cb -0.12 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1t3k s THR 11 CO 0.03 0.00 0.93 -1.54 -0.69 0.00 0.00 174.62 173.34 1t3k n SER 12 N -2.28 0.00 -0.10 3.53 3.41 -1.26 -1.39 113.62 115.53 1t3k n SER 12 Ca 0.08 0.93 0.01 0.00 -0.26 0.00 0.00 58.87 59.62 1t3k n SER 12 Cb 0.60 -0.43 0.29 0.00 -0.26 0.00 0.00 64.21 64.41 1t3k n SER 12 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1t3k h THR 13 N 0.00 1.18 0.00 6.66 1.35 -2.02 -0.96 112.91 119.12 1t3k h THR 13 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1t3k h THR 13 Cb 0.00 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1t3k h THR 13 CO 0.00 0.21 0.14 1.56 -0.25 0.00 0.00 175.52 177.18 1t3k h GLN 14 N 0.74 0.00 0.00 4.72 1.08 -1.60 0.87 115.11 120.92 1t3k h GLN 14 Ca 0.19 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.25 1t3k h GLN 14 Cb 0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1t3k h GLN 14 CO -0.03 0.00 -0.64 1.25 -0.95 0.00 0.00 178.83 178.46 1t3k h LEU 15 N 0.00 0.00 0.17 1.46 5.85 -0.09 -3.32 115.31 119.38 1t3k h LEU 15 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1t3k h LEU 15 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1t3k h LEU 15 CO 0.00 0.64 -0.08 0.25 -0.34 0.00 0.00 178.44 178.91 1t3k h LEU 16 N 0.00 -0.20 -1.16 2.25 5.85 0.66 -2.40 115.31 120.31 1t3k h LEU 16 Ca -0.01 -0.26 0.33 0.00 0.84 0.00 0.00 57.88 58.78 1t3k h LEU 16 Cb 1.21 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 42.16 1t3k h LEU 16 CO 0.08 0.18 0.65 -0.65 -0.34 0.00 0.00 178.44 178.37 1t3k h PRO 17 N -0.60 0.29 -0.60 5.25 0.11 -1.65 0.63 132.00 135.42 1t3k h PRO 17 Ca -0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1t3k h PRO 17 Cb 0.45 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1t3k h PRO 17 CO 0.04 0.19 0.00 1.28 -0.21 0.00 0.00 178.00 179.30 1t3k n LEU 18 N -4.88 1.98 -1.20 2.35 7.99 -1.23 -4.86 117.00 117.15 1t3k n LEU 18 Ca 0.31 -1.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.16 1t3k n LEU 18 Cb 1.05 -0.39 -0.07 0.00 -0.11 0.00 0.00 43.42 43.91 1t3k n LEU 18 CO 0.15 0.35 -0.15 1.57 -1.51 0.00 0.00 177.39 177.80 1t3k n HIS 19 N 0.20 0.00 -3.46 -1.77 -0.00 0.22 -2.76 115.22 107.64 1t3k n HIS 19 Ca 0.08 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.05 1t3k n HIS 19 Cb 0.40 -3.06 0.06 0.00 -0.12 0.00 0.00 29.99 27.27 1t3k n HIS 19 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1t3k n ARG 20 N -1.68 -2.60 -1.60 1.57 0.63 -0.90 -4.87 116.66 107.20 1t3k n ARG 20 Ca -0.16 0.70 -0.45 0.00 -0.92 0.00 0.00 57.85 57.03 1t3k n ARG 20 Cb 0.62 -5.19 -0.02 0.00 0.45 0.00 0.00 32.46 28.32 1t3k n ARG 20 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1t3k n ARG 21 N -3.75 1.45 0.00 -0.14 1.74 -1.11 -5.00 116.66 109.85 1t3k n ARG 21 Ca -0.12 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 1t3k n ARG 21 Cb 0.62 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1t3k n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1t3k n PRO 22 N 0.85 2.17 -1.72 5.56 -0.04 -1.26 -4.47 135.00 136.10 1t3k n PRO 22 Ca 0.10 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.36 1t3k n PRO 22 Cb 0.32 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.71 1t3k n PRO 22 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1t3k n ASN 23 N 0.00 -5.29 -4.72 3.54 4.13 -1.26 -4.78 115.26 106.88 1t3k n ASN 23 Ca 0.00 0.41 -0.33 0.00 1.68 0.00 0.00 54.58 56.34 1t3k n ASN 23 Cb 0.00 -4.64 -0.08 0.00 -1.54 0.00 0.00 39.78 33.52 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1t3k s ILE 24 N -2.73 4.36 -0.11 2.41 -1.16 -1.26 0.38 121.20 123.10 1t3k s ILE 24 Ca 0.00 -0.54 -0.26 0.00 -0.51 0.00 0.00 60.65 59.35 1t3k s ILE 24 Cb 0.00 -2.97 0.06 0.00 0.61 0.00 0.00 42.46 40.16 1t3k s ILE 24 CO 0.00 0.36 0.61 0.00 -2.81 0.00 0.00 174.94 173.10 1t3k s ALA 25 N -1.13 -1.55 -0.19 1.50 0.00 -0.05 -4.92 121.76 115.41 1t3k s ALA 25 Ca 0.21 1.32 -0.07 0.00 0.00 0.00 0.00 51.96 53.41 1t3k s ALA 25 Cb -0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1t3k s ALA 25 CO 0.12 -0.33 0.06 0.42 0.00 0.00 0.00 175.76 176.03 1t3k s ILE 26 N -0.71 4.68 -0.10 0.00 1.09 -1.26 -0.91 121.20 123.99 1t3k s ILE 26 Ca -0.08 -0.07 -0.13 0.00 -1.10 0.00 0.00 60.65 59.28 1t3k s ILE 26 Cb -0.02 -3.12 -0.05 0.00 -1.06 0.00 0.00 42.46 38.21 1t3k s ILE 26 CO 0.06 0.43 0.31 0.27 -0.10 0.00 0.00 174.94 175.91 1t3k s ILE 27 N 0.62 5.25 -0.01 2.92 -4.36 0.84 -1.31 121.20 125.14 1t3k s ILE 27 Ca 0.03 0.60 0.01 0.00 -0.26 0.00 0.00 60.65 61.02 1t3k s ILE 27 Cb -0.13 -3.62 0.01 0.00 1.25 0.00 0.00 42.46 39.96 1t3k s ILE 27 CO 0.01 0.49 -0.02 1.51 0.24 0.00 0.00 174.94 177.18 1t3k s ASP 28 N -0.33 0.35 -0.06 4.36 -4.77 0.10 -1.81 116.67 114.51 1t3k s ASP 28 Ca 0.19 -0.05 -0.19 0.00 -3.30 0.00 0.00 52.55 49.21 1t3k s ASP 28 Cb -0.14 -0.08 0.04 0.00 -1.09 0.00 0.00 42.92 41.64 1t3k s ASP 28 CO 0.07 0.00 0.43 0.54 0.70 0.00 0.00 175.17 176.91 1t3k s VAL 29 N 0.21 0.03 0.00 2.11 0.11 -1.26 -2.28 120.40 119.32 1t3k s VAL 29 Ca -0.02 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1t3k s VAL 29 Cb -0.04 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1t3k s VAL 29 CO -0.01 -0.14 0.00 0.54 -3.33 0.00 0.00 175.10 172.17 1t3k n ARG 30 N 1.57 0.00 0.00 1.54 1.74 -0.32 -4.93 116.66 116.26 1t3k n ARG 30 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1t3k n ARG 30 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 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 -2.18 0.00 -0.98 0.55 8.00 -1.25 -4.50 116.55 116.19 1t3k n ASP 31 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 1t3k n ASP 31 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.30 1t3k n ASP 31 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1t3k n GLU 32 N 0.00 1.79 0.07 -1.24 1.02 -1.26 -4.16 120.64 116.86 1t3k n GLU 32 Ca 0.00 -3.20 0.09 0.00 -0.02 0.00 0.00 57.16 54.03 1t3k n GLU 32 Cb 0.00 -1.76 0.39 0.00 -0.02 0.00 0.00 31.44 30.05 1t3k n GLU 32 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1t3k n GLU 33 N -1.11 0.10 0.32 3.49 4.07 -1.26 -2.39 120.64 123.85 1t3k n GLU 33 Ca 0.29 0.37 0.19 0.00 -0.06 0.00 0.00 57.16 57.95 1t3k n GLU 33 Cb 0.93 -1.71 1.06 0.00 -0.06 0.00 0.00 31.44 31.67 1t3k n GLU 33 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1t3k h ARG 34 N 0.00 0.00 -0.23 5.31 2.43 -1.97 0.17 114.38 120.08 1t3k h ARG 34 Ca 0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 1t3k h ARG 34 Cb 0.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1t3k h ARG 34 CO 0.00 0.00 -0.48 -0.91 -1.51 0.00 0.00 179.97 177.07 1t3k h ASN 35 N 0.00 0.67 0.72 -3.80 -0.26 -1.88 -3.12 115.58 107.91 1t3k h ASN 35 Ca -0.00 -0.33 -0.26 0.00 -0.56 0.00 0.00 56.30 55.15 1t3k h ASN 35 Cb 0.01 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.05 1t3k h ASN 35 CO 0.00 1.04 -1.34 1.88 -1.06 0.00 0.00 177.43 177.95 1t3k h TYR 36 N 0.49 0.10 -0.14 1.19 -1.99 -1.20 -3.48 116.97 111.95 1t3k h TYR 36 Ca 0.03 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.62 1t3k h TYR 36 Cb 1.01 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.72 1t3k h TYR 36 CO 0.05 1.08 -0.05 -0.25 -0.00 0.00 0.00 178.16 178.99 1t3k n ASP 37 N -3.28 -3.99 -4.52 3.88 9.92 0.38 -4.53 116.55 114.41 1t3k n ASP 37 Ca -0.09 0.07 -0.25 0.00 -0.53 0.00 0.00 54.79 53.99 1t3k n ASP 37 Cb 1.00 -1.74 -0.14 0.00 -0.64 0.00 0.00 41.12 39.59 1t3k n ASP 37 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1t3k n GLY 38 N -1.79 -0.31 0.00 0.44 0.00 -1.26 -4.20 105.19 98.07 1t3k n GLY 38 Ca -0.03 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1t3k n GLY 38 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1t3k n HIS 39 N 11.57 0.00 0.15 1.61 -0.00 -1.26 -4.79 115.22 122.49 1t3k n HIS 39 Ca 0.58 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 58.16 1t3k n HIS 39 Cb 0.25 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.18 1t3k n HIS 39 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 1t3k h ILE 40 N 0.00 0.67 -3.71 0.61 -0.00 -1.81 -3.39 117.51 109.88 1t3k h ILE 40 Ca 0.00 0.00 -0.65 0.00 -0.00 0.00 0.00 64.86 64.21 1t3k h ILE 40 Cb 0.00 0.67 -0.16 0.00 -0.00 0.00 0.00 36.82 37.32 1t3k h ILE 40 CO 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 178.15 177.87 1t3k s ALA 41 N -6.13 3.52 0.00 0.18 0.00 0.50 -3.66 121.76 116.18 1t3k s ALA 41 Ca -0.15 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1t3k s ALA 41 Cb 0.06 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1t3k s ALA 41 CO 0.65 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1t3k n GLY 42 N 4.86 0.56 2.22 0.00 0.00 1.01 -4.51 105.19 109.33 1t3k n GLY 42 Ca -0.09 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.40 -8.96 -4.61 1.61 3.41 -1.26 -4.80 113.62 99.41 1t3k n SER 43 Ca 0.00 1.69 -0.43 0.00 -0.26 0.00 0.00 58.87 59.88 1t3k n SER 43 Cb 0.00 -4.88 -0.02 0.00 -0.26 0.00 0.00 64.21 59.05 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 -0.55 3.62 -0.11 1.04 1.43 -0.43 -4.79 118.68 118.89 1t3k s LEU 44 Ca 0.00 1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 54.28 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 -1.51 0.06 -2.28 0.23 0.00 0.00 176.35 172.85 1t3k s HIS 45 N 5.99 3.32 0.19 0.29 5.65 -1.24 0.02 115.29 129.52 1t3k s HIS 45 Ca 0.72 0.28 -0.23 0.00 0.25 0.00 0.00 55.06 56.07 1t3k s HIS 45 Cb -0.20 -1.89 0.05 0.00 -1.18 0.00 0.00 32.58 29.36 1t3k s HIS 45 CO 0.32 0.50 0.71 1.52 -0.65 0.00 0.00 174.74 177.14 1t3k s TYR 46 N -0.71 -0.34 0.00 3.88 1.13 -0.96 -4.97 117.35 115.38 1t3k s TYR 46 Ca 0.12 0.02 0.00 0.00 -1.41 0.00 0.00 57.07 55.80 1t3k s TYR 46 Cb -0.12 0.63 0.00 0.00 -1.10 0.00 0.00 41.96 41.37 1t3k s TYR 46 CO 0.02 -0.98 0.00 0.00 -2.51 0.00 0.00 175.55 172.08 1t3k n ALA 47 N -0.41 0.00 -0.94 9.51 0.00 -1.26 -1.18 120.51 126.23 1t3k n ALA 47 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.40 1t3k n ALA 47 Cb 0.62 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.44 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 -1.90 5.33 0.00 0.00 3.41 -1.26 -4.10 113.62 115.10 1t3k n SER 48 Ca 0.00 -2.99 -0.10 0.00 -0.26 0.00 0.00 58.87 55.52 1t3k n SER 48 Cb 0.00 -0.67 -0.14 0.00 -0.26 0.00 0.00 64.21 63.14 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 3.47 0.06 -1.04 5.00 0.00 -1.94 -3.35 103.07 105.27 1t3k h GLY 49 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1t3k h GLY 49 CO 0.47 0.12 0.00 -1.14 0.00 0.00 0.00 176.54 176.00 1t3k n SER 50 N -3.18 2.71 0.03 0.19 3.41 -1.26 -4.53 113.62 110.99 1t3k n SER 50 Ca -0.15 -1.96 0.04 0.00 -0.26 0.00 0.00 58.87 56.54 1t3k n SER 50 Cb 1.03 -0.18 0.20 0.00 -0.26 0.00 0.00 64.21 65.00 1t3k n SER 50 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1t3k n PHE 51 N 0.36 0.17 -1.07 7.33 -1.74 -1.26 -0.86 117.46 120.39 1t3k n PHE 51 Ca 0.09 0.08 -0.03 0.00 -0.56 0.00 0.00 57.45 57.04 1t3k n PHE 51 Cb 0.39 -0.63 0.30 0.00 1.52 0.00 0.00 39.48 41.05 1t3k n PHE 51 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1t3k n ASP 52 N -1.67 4.54 0.00 5.98 9.92 -1.26 -4.25 116.55 129.81 1t3k n ASP 52 Ca 0.01 -3.23 0.00 0.00 -0.53 0.00 0.00 54.79 51.04 1t3k n ASP 52 Cb 0.07 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 39.84 1t3k n ASP 52 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1t3k n ASP 53 N -0.26 0.04 -0.18 -2.24 8.00 -0.04 -4.81 116.55 117.08 1t3k n ASP 53 Ca 0.37 -0.29 0.05 0.00 0.71 0.00 0.00 54.79 55.63 1t3k n ASP 53 Cb 1.27 0.19 0.10 0.00 -0.02 0.00 0.00 41.12 42.66 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 -0.19 2.29 -0.06 -1.24 5.02 -1.22 -4.55 118.16 118.21 1t3k n LYS 54 Ca 0.00 -2.12 -0.05 0.00 -2.02 0.00 0.00 58.31 54.12 1t3k n LYS 54 Cb 0.04 -1.31 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 1t3k n LYS 54 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1t3k h ILE 55 N 0.37 0.47 0.00 -0.18 1.08 -1.88 -2.99 117.51 114.37 1t3k h ILE 55 Ca 0.00 -1.37 0.00 0.00 -0.39 0.00 0.00 64.86 63.10 1t3k h ILE 55 Cb 0.82 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1t3k h ILE 55 CO 0.02 0.16 0.00 -1.54 -0.69 0.00 0.00 178.15 176.10 1t3k n SER 56 N -4.71 0.11 -0.00 1.72 3.41 -1.26 -1.98 113.62 110.90 1t3k n SER 56 Ca -0.05 0.53 -0.12 0.00 -0.26 0.00 0.00 58.87 58.98 1t3k n SER 56 Cb 0.17 -0.55 -0.10 0.00 -0.26 0.00 0.00 64.21 63.47 1t3k n SER 56 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1t3k h HIS 57 N 0.00 -0.07 -0.01 7.33 6.17 -1.80 0.25 115.15 127.02 1t3k h HIS 57 Ca 0.00 -0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.05 1t3k h HIS 57 Cb 0.19 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.14 1t3k h HIS 57 CO 0.00 0.52 -0.15 -0.07 0.71 0.00 0.00 177.93 178.94 1t3k h LEU 58 N -0.75 0.01 -0.46 0.26 4.07 -1.24 1.06 115.31 118.26 1t3k h LEU 58 Ca -0.01 -0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.78 1t3k h LEU 58 Cb 0.62 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 1t3k h LEU 58 CO 0.01 0.17 -0.59 0.58 -1.08 0.00 0.00 178.44 177.53 1t3k h VAL 59 N 0.01 1.32 -0.41 1.22 2.07 -1.35 -3.21 116.25 115.90 1t3k h VAL 59 Ca 0.00 -1.86 -0.07 0.00 0.82 0.00 0.00 66.70 65.60 1t3k h VAL 59 Cb 0.28 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1t3k h VAL 59 CO 0.02 0.58 0.05 0.00 0.02 0.00 0.00 177.57 178.23 1t3k n GLN 60 N -3.94 3.21 -2.77 1.57 1.13 0.87 -4.58 117.38 112.86 1t3k n GLN 60 Ca -0.04 -2.99 -0.03 0.00 -1.94 0.00 0.00 57.00 52.01 1t3k n GLN 60 Cb 0.63 -1.98 0.06 0.00 0.11 0.00 0.00 30.24 29.06 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 -0.38 1.08 -0.12 1.08 3.02 0.35 -4.91 115.26 115.39 1t3k n ASN 61 Ca 0.28 -2.23 -0.10 0.00 -0.03 0.00 0.00 54.58 52.49 1t3k n ASN 61 Cb 1.06 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.90 1t3k n ASN 61 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1t3k h VAL 62 N 4.64 1.24 -0.87 2.41 -1.51 -1.78 -3.46 116.25 116.93 1t3k h VAL 62 Ca -0.17 -0.88 -0.16 0.00 -1.23 0.00 0.00 66.70 64.26 1t3k h VAL 62 Cb 1.25 1.15 -0.06 0.00 -2.13 0.00 0.00 31.29 31.50 1t3k h VAL 62 CO 0.21 0.29 -0.15 0.29 -1.23 0.00 0.00 177.57 176.99 1t3k n LYS 63 N -4.56 -1.55 0.00 5.19 5.02 -1.26 -4.05 118.16 116.94 1t3k n LYS 63 Ca -0.02 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1t3k n LYS 63 Cb 0.24 -4.62 0.00 0.00 -0.02 0.00 0.00 35.03 30.63 1t3k n LYS 63 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1t3k n ASP 64 N -0.06 0.00 -4.56 4.39 2.03 -1.26 -4.61 116.55 112.49 1t3k n ASP 64 Ca -0.08 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.82 1t3k n ASP 64 Cb 0.37 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.00 3.63 -0.25 -0.67 2.36 -1.26 -4.38 119.74 119.16 1t3k s LYS 65 Ca 0.00 -1.23 -0.06 0.00 -2.55 0.00 0.00 55.97 52.13 1t3k s LYS 65 Cb 0.00 -5.35 0.13 0.00 -1.05 0.00 0.00 37.83 31.55 1t3k s LYS 65 CO 0.00 -2.19 0.51 0.34 1.55 0.00 0.00 175.35 175.56 1t3k s ASP 66 N 4.85 -0.64 -0.08 1.43 2.15 -1.26 -4.88 116.67 118.24 1t3k s ASP 66 Ca 0.46 1.04 0.04 0.00 0.43 0.00 0.00 52.55 54.52 1t3k s ASP 66 Cb 0.00 1.75 0.00 0.00 -0.30 0.00 0.00 42.92 44.37 1t3k s ASP 66 CO -0.08 -0.24 -0.20 -0.89 -0.17 0.00 0.00 175.17 173.58 1t3k s THR 67 N 2.73 1.75 -0.06 1.71 2.01 1.23 0.30 115.64 125.31 1t3k s THR 67 Ca 0.03 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.21 1t3k s THR 67 Cb -0.13 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.87 1t3k s THR 67 CO -0.17 0.49 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.37 1t3k s LEU 68 N 0.40 1.66 -0.14 4.42 2.01 -0.57 -0.88 118.68 125.58 1t3k s LEU 68 Ca -0.16 -0.30 0.02 0.00 0.01 0.00 0.00 54.13 53.70 1t3k s LEU 68 Cb -0.17 -0.82 0.01 0.00 0.01 0.00 0.00 46.19 45.22 1t3k s LEU 68 CO 0.07 0.04 -0.20 0.68 1.01 0.00 0.00 176.35 177.95 1t3k s VAL 69 N 0.62 2.24 0.14 -1.59 -7.23 -0.09 -1.01 120.40 113.48 1t3k s VAL 69 Ca -0.14 -0.92 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1t3k s VAL 69 Cb -0.15 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 1t3k s VAL 69 CO 0.04 0.54 0.25 0.72 -0.31 0.00 0.00 175.10 176.34 1t3k s PHE 70 N 0.82 3.45 0.00 2.82 -0.71 -0.90 -0.11 117.98 123.34 1t3k s PHE 70 Ca -0.06 0.12 0.00 0.00 -1.04 0.00 0.00 56.93 55.94 1t3k s PHE 70 Cb -0.15 -1.66 0.00 0.00 -1.21 0.00 0.00 43.02 40.00 1t3k s PHE 70 CO -0.01 0.53 0.00 0.72 -1.34 0.00 0.00 175.22 175.11 1t3k n HIS 71 N -0.40 0.00 -1.20 3.49 8.25 -0.75 -2.41 115.22 122.19 1t3k n HIS 71 Ca -0.07 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.32 1t3k n HIS 71 Cb 0.54 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 1t3k n HIS 71 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1t3k n SER 72 N 0.00 -5.46 -0.90 0.41 7.64 -1.26 -4.40 113.62 109.65 1t3k n SER 72 Ca 0.00 0.17 -0.00 0.00 1.01 0.00 0.00 58.87 60.05 1t3k n SER 72 Cb 0.00 -3.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.63 1t3k n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t3k n ALA 73 N 1.13 -1.52 -1.28 -0.43 0.00 -1.26 -4.53 120.51 112.62 1t3k n ALA 73 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1t3k n ALA 73 Cb 0.50 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1t3k n ALA 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1t3k n LEU 74 N -0.02 0.00 0.00 0.00 7.99 -1.26 -4.96 117.00 118.75 1t3k n LEU 74 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 1t3k n LEU 74 Cb 0.36 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.67 1t3k n LEU 74 CO -0.00 0.00 0.00 -1.20 -1.51 0.00 0.00 177.39 174.68 1t3k n SER 75 N -0.41 0.00 0.00 -1.43 7.64 -1.26 -4.71 113.62 113.45 1t3k n SER 75 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1t3k n SER 75 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 -0.11 1.43 1.13 -1.26 -4.56 117.38 114.01 1t3k n GLN 76 Ca 0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 1t3k n GLN 76 Cb 0.00 -0.84 -0.14 0.00 0.11 0.00 0.00 30.24 29.38 1t3k n GLN 76 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1t3k n VAL 77 N -1.11 1.36 0.16 5.09 0.24 -1.26 -4.35 118.33 118.47 1t3k n VAL 77 Ca 0.00 -0.70 0.05 0.00 -2.04 0.00 0.00 64.34 61.65 1t3k n VAL 77 Cb 0.00 -0.87 0.12 0.00 -1.47 0.00 0.00 33.84 31.62 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 -0.89 7.34 -0.00 -1.84 -3.34 114.38 115.65 1t3k h ARG 78 Ca -0.53 0.00 0.20 0.00 -0.50 0.00 0.00 59.98 59.14 1t3k h ARG 78 Cb 2.04 0.00 -0.17 0.00 0.00 0.00 0.00 29.97 31.84 1t3k h ARG 78 CO -0.02 0.39 -0.16 0.41 0.00 0.00 0.00 179.97 180.59 1t3k n GLY 79 N 1.02 -1.43 0.37 0.04 0.00 -1.26 0.35 105.19 104.29 1t3k n GLY 79 Ca 0.02 0.93 0.14 0.00 0.00 0.00 0.00 46.02 47.11 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 0.48 -0.50 1.61 0.11 -1.86 1.00 132.00 132.83 1t3k h PRO 80 Ca 0.46 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.55 1t3k h PRO 80 Cb 0.77 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 1t3k h PRO 80 CO -0.90 0.31 0.33 1.15 -0.21 0.00 0.00 178.00 178.69 1t3k h THR 81 N 0.49 1.10 -0.84 -1.15 2.02 0.59 0.58 112.91 115.70 1t3k h THR 81 Ca 0.37 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 1t3k h THR 81 Cb 0.76 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1t3k h THR 81 CO -0.13 0.12 0.43 0.00 0.37 0.00 0.00 175.52 176.31 1t3k h ALA 83 N 1.30 1.70 -0.61 0.00 0.00 0.77 0.49 119.26 122.91 1t3k h ALA 83 Ca 0.29 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1t3k h ALA 83 Cb 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1t3k h ALA 83 CO -0.04 0.25 0.41 -0.09 0.00 0.00 0.00 179.25 179.78 1t3k h ARG 84 N 0.43 0.48 -0.61 0.00 2.43 0.25 0.49 114.38 117.84 1t3k h ARG 84 Ca 0.11 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1t3k h ARG 84 Cb 0.03 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1t3k h ARG 84 CO -0.02 0.32 0.40 -0.09 -1.51 0.00 0.00 179.97 179.07 1t3k h ARG 85 N 0.49 0.80 -0.04 0.20 1.12 0.62 0.56 114.38 118.13 1t3k h ARG 85 Ca 0.28 -0.05 0.01 0.00 -1.11 0.00 0.00 59.98 59.11 1t3k h ARG 85 Cb 0.44 -0.18 -0.00 0.00 -0.01 0.00 0.00 29.97 30.22 1t3k h ARG 85 CO -0.08 0.53 0.05 -0.07 -3.11 0.00 0.00 179.97 177.28 1t3k h LEU 86 N 0.82 0.00 -1.07 3.80 3.38 0.17 1.10 115.31 123.52 1t3k h LEU 86 Ca 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1t3k h LEU 86 Cb -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1t3k h LEU 86 CO -0.06 0.00 0.10 0.58 0.09 0.00 0.00 178.44 179.15 1t3k h VAL 87 N 0.00 1.22 0.00 1.22 2.07 0.12 0.45 116.25 121.33 1t3k h VAL 87 Ca 0.02 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1t3k h VAL 87 Cb 0.11 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1t3k h VAL 87 CO -0.00 0.30 -0.10 -0.55 0.02 0.00 0.00 177.57 177.24 1t3k h ASN 88 N 0.74 0.00 0.51 0.57 -1.07 0.19 0.19 115.58 116.71 1t3k h ASN 88 Ca 0.16 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.51 1t3k h ASN 88 Cb 0.31 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.56 1t3k h ASN 88 CO 0.00 0.10 -0.24 0.22 0.07 0.00 0.00 177.43 177.57 1t3k h TYR 89 N 0.00 -0.63 -0.60 4.14 5.03 0.53 0.57 116.97 126.02 1t3k h TYR 89 Ca -0.00 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.44 1t3k h TYR 89 Cb 0.22 0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.68 1t3k h TYR 89 CO 0.00 -0.39 0.41 1.25 -1.32 0.00 0.00 178.16 178.11 1t3k h LEU 90 N -0.99 0.15 -0.76 2.82 7.12 -0.96 0.83 115.31 123.52 1t3k h LEU 90 Ca -0.07 0.01 -0.12 0.00 0.13 0.00 0.00 57.88 57.82 1t3k h LEU 90 Cb 0.52 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.62 1t3k h LEU 90 CO 0.11 0.08 -0.40 -0.78 -0.13 0.00 0.00 178.44 177.32 1t3k h ASP 91 N 0.16 0.48 0.39 1.25 1.82 -0.42 -3.08 116.42 117.03 1t3k h ASP 91 Ca 0.29 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 1t3k h ASP 91 Cb 0.90 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.76 1t3k h ASP 91 CO -0.04 0.84 -0.30 -0.08 -1.61 0.00 0.00 179.24 178.04 1t3k h GLU 92 N 0.38 -0.66 0.00 0.28 4.57 0.63 -3.45 114.58 116.32 1t3k h GLU 92 Ca 0.03 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1t3k h GLU 92 Cb 0.88 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1t3k h GLU 92 CO 0.07 -0.44 0.00 1.63 -1.18 0.00 0.00 179.01 179.09 1t3k n LYS 93 N -5.43 0.00 0.00 1.92 5.02 -0.97 -5.09 118.16 113.61 1t3k n LYS 93 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1t3k n LYS 93 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 1t3k n LYS 93 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1t3k n LYS 94 N 0.00 0.00 -3.28 1.97 4.76 -1.17 -5.04 118.16 115.40 1t3k n LYS 94 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1t3k n LYS 94 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 1t3k n LYS 94 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1t3k s GLU 95 N -0.16 3.44 0.05 1.97 2.02 -1.26 -2.95 118.70 121.81 1t3k s GLU 95 Ca 0.00 -0.38 -0.13 0.00 0.02 0.00 0.00 54.97 54.48 1t3k s GLU 95 Cb 0.00 -3.86 0.05 0.00 0.10 0.00 0.00 34.13 30.41 1t3k s GLU 95 CO 0.00 -0.71 0.62 -0.40 0.02 0.00 0.00 175.26 174.79 1t3k n ASP 96 N 5.70 -0.82 0.04 -0.19 5.68 -1.26 -5.05 116.55 120.65 1t3k n ASP 96 Ca -0.06 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 1t3k n ASP 96 Cb 0.48 1.32 0.00 0.00 -1.14 0.00 0.00 41.12 41.78 1t3k n ASP 96 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1t3k n THR 97 N -0.44 0.86 0.00 2.12 -2.24 -1.26 -4.94 114.28 108.39 1t3k n THR 97 Ca 0.00 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1t3k n THR 97 Cb 0.32 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 1t3k n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t3k n GLY 98 N 3.34 2.35 3.77 3.38 0.00 -1.26 -4.75 105.19 112.02 1t3k n GLY 98 Ca 0.00 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.75 2.78 0.44 -0.61 -0.00 -1.26 -4.47 121.20 117.33 1t3k s ILE 99 Ca 0.00 0.77 0.11 0.00 -0.00 0.00 0.00 60.65 61.52 1t3k s ILE 99 Cb 0.00 -3.48 0.28 0.00 -0.00 0.00 0.00 42.46 39.26 1t3k s ILE 99 CO 0.00 0.17 2.07 0.50 -0.00 0.00 0.00 174.94 177.68 1t3k h LYS 100 N 3.29 0.38 -2.44 0.37 3.64 0.43 -3.41 116.57 118.84 1t3k h LYS 100 Ca -0.49 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 58.80 1t3k h LYS 100 Cb 1.23 -0.09 -0.26 0.00 -0.41 0.00 0.00 32.23 32.70 1t3k h LYS 100 CO 0.65 0.25 -0.28 -0.80 -2.27 0.00 0.00 179.45 177.00 1t3k s ASN 101 N -6.69 -0.50 -0.24 4.20 -0.87 -0.99 -5.00 114.94 104.85 1t3k s ASN 101 Ca -0.07 1.09 -0.15 0.00 -1.57 0.00 0.00 52.86 52.16 1t3k s ASN 101 Cb 0.18 1.31 -0.04 0.00 -0.02 0.00 0.00 41.25 42.68 1t3k s ASN 101 CO 0.72 -0.22 0.35 -0.51 -2.57 0.00 0.00 177.10 174.87 1t3k s ILE 102 N 2.22 5.21 0.25 0.60 2.07 -1.26 -1.52 121.20 128.78 1t3k s ILE 102 Ca -0.05 0.58 0.00 0.00 -1.41 0.00 0.00 60.65 59.76 1t3k s ILE 102 Cb -0.10 -3.68 -0.03 0.00 0.13 0.00 0.00 42.46 38.77 1t3k s ILE 102 CO -0.14 0.23 0.23 -0.04 -1.91 0.00 0.00 174.94 173.30 1t3k s MET 103 N 1.59 1.44 0.11 3.50 -1.94 -0.18 -1.53 119.30 122.29 1t3k s MET 103 Ca 0.16 -1.71 0.06 0.00 -1.71 0.00 0.00 55.69 52.48 1t3k s MET 103 Cb -0.15 0.32 -0.04 0.00 2.01 0.00 0.00 34.83 36.97 1t3k s MET 103 CO 0.08 -0.51 -0.03 0.96 -0.01 0.00 0.00 175.02 175.51 1t3k s ILE 104 N -3.86 3.76 -0.13 2.53 -5.25 0.46 -2.12 121.20 116.59 1t3k s ILE 104 Ca 0.37 -1.15 -0.29 0.00 -0.99 0.00 0.00 60.65 58.59 1t3k s ILE 104 Cb 0.04 -2.80 -0.03 0.00 2.95 0.00 0.00 42.46 42.63 1t3k s ILE 104 CO 0.17 0.08 1.36 -0.22 -1.79 0.00 0.00 174.94 174.53 1t3k s LEU 105 N -2.39 4.22 0.00 0.37 2.96 -1.01 -3.02 118.68 119.81 1t3k s LEU 105 Ca 0.25 1.84 0.00 0.00 -0.22 0.00 0.00 54.13 56.00 1t3k s LEU 105 Cb -0.11 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.04 1t3k s LEU 105 CO 0.17 -0.79 0.00 -0.62 -1.32 0.00 0.00 176.35 173.79 1t3k n GLU 106 N 6.65 0.00 -0.33 1.98 1.02 -0.56 -4.06 120.64 125.33 1t3k n GLU 106 Ca 0.15 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.47 1t3k n GLU 106 Cb 0.44 0.00 0.40 0.00 -0.02 0.00 0.00 31.44 32.26 1t3k n GLU 106 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1t3k h ARG 107 N 0.00 0.44 -3.98 3.49 1.12 -1.88 -3.44 114.38 110.13 1t3k h ARG 107 Ca 0.00 -0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 58.79 1t3k h ARG 107 Cb 0.00 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 29.85 1t3k h ARG 107 CO 0.00 0.29 -0.07 0.41 -3.11 0.00 0.00 179.97 177.50 1t3k n GLY 108 N -1.31 -0.30 3.74 2.80 0.00 -1.26 0.82 105.19 109.69 1t3k n GLY 108 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 1t3k n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t3k n PHE 109 N -2.30 -2.58 0.03 1.61 3.72 -1.26 -4.35 117.46 112.33 1t3k n PHE 109 Ca -0.03 0.96 -0.13 0.00 -0.05 0.00 0.00 57.45 58.20 1t3k n PHE 109 Cb 0.41 -4.54 -0.09 0.00 -0.94 0.00 0.00 39.48 34.32 1t3k n PHE 109 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 176.76 173.76 1t3k h ASN 110 N -2.38 -0.05 -0.09 4.37 7.08 0.09 0.34 115.58 124.93 1t3k h ASN 110 Ca -0.58 -0.32 -0.11 0.00 -3.08 0.00 0.00 56.30 52.21 1t3k h ASN 110 Cb 1.37 0.01 -0.01 0.00 -2.08 0.00 0.00 38.32 37.61 1t3k h ASN 110 CO 0.61 0.29 -0.30 1.23 -2.08 0.00 0.00 177.43 177.18 1t3k h GLY 111 N -0.41 0.61 0.65 9.14 0.00 -1.91 0.16 103.07 111.31 1t3k h GLY 111 Ca -0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1t3k h GLY 111 CO 0.01 0.49 -0.08 -0.25 0.00 0.00 0.00 176.54 176.71 1t3k h TRP 112 N 0.48 -0.21 0.00 5.60 2.91 -1.92 1.38 115.95 124.20 1t3k h TRP 112 Ca 0.06 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.08 1t3k h TRP 112 Cb 0.76 0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.48 1t3k h TRP 112 CO 0.03 0.13 -0.00 1.49 -1.03 0.00 0.00 178.44 179.06 1t3k h GLU 113 N -0.57 -0.01 -0.79 2.65 4.22 -0.94 -3.00 114.58 116.14 1t3k h GLU 113 Ca -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.40 1t3k h GLU 113 Cb 0.43 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1t3k h GLU 113 CO 0.04 0.33 0.42 0.00 -2.18 0.00 0.00 179.01 177.62 1t3k h ALA 114 N 0.65 1.26 -1.48 2.92 0.00 -0.73 -2.34 119.26 119.53 1t3k h ALA 114 Ca -0.00 -0.13 0.43 0.00 0.00 0.00 0.00 54.91 55.21 1t3k h ALA 114 Cb 0.34 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1t3k h ALA 114 CO 0.00 0.60 1.23 0.77 0.00 0.00 0.00 179.25 181.85 1t3k h SER 115 N 1.11 0.00 0.00 0.00 0.02 0.20 -3.43 113.55 111.44 1t3k h SER 115 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1t3k h SER 115 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1t3k h SER 115 CO -0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.26 1t3k n GLY 116 N -1.81 2.31 3.82 -3.77 0.00 -0.88 -5.07 105.19 99.79 1t3k n GLY 116 Ca 0.33 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.27 3.56 1.41 1.61 -2.85 -1.25 -5.04 119.74 116.91 1t3k s LYS 117 Ca 0.00 1.09 -0.22 0.00 -1.00 0.00 0.00 55.97 55.85 1t3k s LYS 117 Cb 0.00 -2.07 0.36 0.00 -2.06 0.00 0.00 37.83 34.06 1t3k s LYS 117 CO 0.00 -0.60 0.89 -0.35 0.10 0.00 0.00 175.35 175.39 1t3k n PRO 118 N -1.90 -4.34 -4.02 1.78 -0.04 -1.26 -4.48 135.00 120.74 1t3k n PRO 118 Ca 0.08 -1.28 -0.11 0.00 -0.04 0.00 0.00 63.50 62.14 1t3k n PRO 118 Cb 0.53 -1.97 -0.12 0.00 -0.04 0.00 0.00 33.50 31.90 1t3k n PRO 118 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1t3k s VAL 119 N -2.18 0.29 0.00 0.52 1.01 -1.26 -4.77 120.40 114.02 1t3k s VAL 119 Ca 0.67 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1t3k s VAL 119 Cb -0.15 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1t3k s VAL 119 CO 0.59 -0.34 0.00 0.00 0.00 0.00 0.00 175.10 175.34 1t3k n ARG 121 N 0.00 -1.92 0.00 0.00 1.74 -1.26 -4.81 116.66 110.41 1t3k n ARG 121 Ca 0.00 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 1t3k n ARG 121 Cb 0.00 -4.63 0.00 0.00 -1.02 0.00 0.00 32.46 26.81 1t3k n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t3k n ALA 123 N -3.00 0.00 0.00 0.00 0.00 -1.26 -5.03 120.51 111.22 1t3k n ALA 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t3k n ALA 123 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1t3k n ALA 123 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1t3k n GLU 124 N 0.00 -1.09 -0.31 0.00 0.28 -1.26 -5.01 120.64 113.25 1t3k n GLU 124 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.14 1t3k n GLU 124 Cb 0.00 0.00 0.29 0.00 1.43 0.00 0.00 31.44 33.16 1t3k n GLU 124 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 1t3k h VAL 125 N 0.00 0.17 -1.18 3.84 -1.51 -2.05 -1.52 116.25 114.01 1t3k h VAL 125 Ca 0.00 -0.03 0.34 0.00 -1.23 0.00 0.00 66.70 65.78 1t3k h VAL 125 Cb 0.00 0.07 -0.05 0.00 -2.13 0.00 0.00 31.29 29.18 1t3k h VAL 125 CO 0.00 0.02 1.09 -2.65 -1.23 0.00 0.00 177.57 174.80 1t3k n PRO 126 N -5.36 0.01 -1.67 5.19 -0.02 -1.26 -3.97 135.00 127.92 1t3k n PRO 126 Ca 0.22 0.88 -0.17 0.00 -2.02 0.00 0.00 63.50 62.41 1t3k n PRO 126 Cb 0.72 -2.12 -0.11 0.00 -0.02 0.00 0.00 33.50 31.98 1t3k n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t3k s LYS 128 N 8.19 1.43 -0.97 0.00 3.01 -1.24 -4.42 119.74 125.73 1t3k s LYS 128 Ca 0.80 0.62 -0.08 0.00 -1.01 0.00 0.00 55.97 56.30 1t3k s LYS 128 Cb -0.04 -1.84 -0.13 0.00 -1.01 0.00 0.00 37.83 34.80 1t3k s LYS 128 CO 0.17 -2.07 3.15 0.41 0.51 0.00 0.00 175.35 177.52 1t3k n GLY 129 N -1.66 3.89 2.96 -3.33 0.00 -1.26 0.33 105.19 106.12 1t3k n GLY 129 Ca 0.07 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 1t3k n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t3k s ASP 130 N 1.88 0.15 0.16 1.61 2.15 -1.26 -4.55 116.67 116.80 1t3k s ASP 130 Ca 0.67 -0.32 0.07 0.00 0.43 0.00 0.00 52.55 53.40 1t3k s ASP 130 Cb 0.24 0.08 -0.06 0.00 -0.30 0.00 0.00 42.92 42.88 1t3k s ASP 130 CO -0.05 -0.21 1.36 0.00 -0.17 0.00 0.00 175.17 176.10