#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 -2.03 -0.28 3.04 0.00 -1.26 -5.17 121.76 116.06 1t3k s ALA 2 Ca 0.00 1.64 -0.15 0.00 0.00 0.00 0.00 51.96 53.45 1t3k s ALA 2 Cb 0.00 -0.64 0.09 0.00 0.00 0.00 0.00 23.12 22.57 1t3k s ALA 2 CO 0.00 -0.42 0.70 0.00 0.00 0.00 0.00 175.76 176.04 1t3k s MET 3 N -1.72 0.68 0.29 0.00 0.00 -1.26 -5.11 119.30 112.19 1t3k s MET 3 Ca 0.06 1.22 0.00 0.00 0.00 0.00 0.00 55.69 56.97 1t3k s MET 3 Cb -0.01 0.21 0.00 0.00 0.00 0.00 0.00 34.83 35.03 1t3k s MET 3 CO -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 175.02 174.83 1t3k n ALA 4 N 4.40 -2.20 -3.43 3.16 0.00 -1.26 -4.91 120.51 116.27 1t3k n ALA 4 Ca -0.19 0.40 -0.28 0.00 0.00 0.00 0.00 53.44 53.37 1t3k n ALA 4 Cb 0.58 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 1t3k n ALA 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1t3k n ARG 5 N 0.58 2.58 0.00 0.00 3.00 -1.26 -4.88 116.66 116.68 1t3k n ARG 5 Ca 0.00 -4.67 0.00 0.00 -0.01 0.00 0.00 57.85 53.17 1t3k n ARG 5 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.19 1t3k n ARG 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1t3k n SER 6 N 0.92 0.00 -4.16 0.55 7.64 -1.26 -4.90 113.62 112.40 1t3k n SER 6 Ca 0.29 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.78 1t3k n SER 6 Cb 0.40 -0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.50 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 -0.08 4.18 0.25 0.44 -1.16 -1.26 -3.93 121.20 119.65 1t3k s ILE 7 Ca 0.00 -2.65 -0.08 0.00 -0.51 0.00 0.00 60.65 57.41 1t3k s ILE 7 Cb 0.00 -3.69 -0.01 0.00 0.61 0.00 0.00 42.46 39.36 1t3k s ILE 7 CO 0.00 -0.89 0.39 -0.94 -2.81 0.00 0.00 174.94 170.69 1t3k s SER 8 N 1.35 0.13 0.19 4.50 1.04 -0.73 -4.95 113.70 115.22 1t3k s SER 8 Ca 0.15 -1.13 0.09 0.00 0.48 0.00 0.00 55.95 55.54 1t3k s SER 8 Cb -0.19 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1t3k s SER 8 CO -0.04 -1.09 -0.09 -0.72 0.98 0.00 0.00 173.24 172.27 1t3k s TYR 9 N -3.90 2.63 0.08 5.02 1.13 -1.26 -2.89 117.35 118.15 1t3k s TYR 9 Ca 0.28 -0.23 -0.03 0.00 -1.41 0.00 0.00 57.07 55.68 1t3k s TYR 9 Cb 0.01 -1.27 -0.03 0.00 -1.10 0.00 0.00 41.96 39.57 1t3k s TYR 9 CO 0.12 0.53 0.05 -1.50 -2.51 0.00 0.00 175.55 172.23 1t3k s ILE 10 N -1.77 0.17 0.65 -3.49 1.10 -1.01 -4.85 121.20 112.01 1t3k s ILE 10 Ca 0.25 -1.66 -0.03 0.00 -0.51 0.00 0.00 60.65 58.70 1t3k s ILE 10 Cb -0.08 -1.58 0.06 0.00 0.15 0.00 0.00 42.46 41.00 1t3k s ILE 10 CO 0.15 -0.79 0.93 -0.89 -2.11 0.00 0.00 174.94 172.23 1t3k s THR 11 N -3.93 2.41 0.00 4.00 2.01 -1.26 -4.06 115.64 114.81 1t3k s THR 11 Ca 0.10 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.66 1t3k s THR 11 Cb 0.07 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1t3k s THR 11 CO -0.08 0.00 0.57 -0.24 -0.69 0.00 0.00 174.62 174.18 1t3k n SER 12 N -2.71 0.00 -0.15 3.53 2.88 -1.26 0.06 113.62 115.97 1t3k n SER 12 Ca 0.08 0.57 -0.01 0.00 -1.33 0.00 0.00 58.87 58.19 1t3k n SER 12 Cb 0.60 -0.11 0.24 0.00 -0.75 0.00 0.00 64.21 64.19 1t3k n SER 12 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1t3k h THR 13 N 0.00 1.20 -0.04 2.46 1.35 -2.02 -0.28 112.91 115.57 1t3k h THR 13 Ca 0.00 -0.53 0.01 0.00 -0.55 0.00 0.00 66.41 65.34 1t3k h THR 13 Cb 0.00 0.39 -0.00 0.00 -1.73 0.00 0.00 68.15 66.81 1t3k h THR 13 CO 0.00 0.23 0.15 1.56 -0.25 0.00 0.00 175.52 177.21 1t3k h GLN 14 N 0.87 0.00 0.00 4.72 1.08 -1.72 0.68 115.11 120.74 1t3k h GLN 14 Ca 0.22 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.35 1t3k h GLN 14 Cb 0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1t3k h GLN 14 CO -0.03 0.00 -0.31 1.25 -0.95 0.00 0.00 178.83 178.79 1t3k h LEU 15 N 0.00 0.00 0.27 1.46 5.85 0.15 -2.88 115.31 120.16 1t3k h LEU 15 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1t3k h LEU 15 Cb 0.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1t3k h LEU 15 CO -0.00 0.31 -0.19 0.25 -0.34 0.00 0.00 178.44 178.47 1t3k h LEU 16 N 0.00 -0.48 -0.00 2.25 5.85 0.35 0.67 115.31 123.94 1t3k h LEU 16 Ca -0.00 0.04 -0.23 0.00 0.84 0.00 0.00 57.88 58.52 1t3k h LEU 16 Cb 1.01 0.15 0.02 0.00 0.37 0.00 0.00 40.66 42.21 1t3k h LEU 16 CO 0.04 -0.30 -0.89 -0.65 -0.34 0.00 0.00 178.44 176.31 1t3k h PRO 17 N -0.46 0.61 0.00 5.25 0.11 -1.68 -3.22 132.00 132.62 1t3k h PRO 17 Ca -0.02 -0.65 0.00 0.00 0.11 0.00 0.00 66.00 65.44 1t3k h PRO 17 Cb 0.39 0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1t3k h PRO 17 CO 0.01 1.25 0.00 1.25 -0.21 0.00 0.00 178.00 180.30 1t3k h LEU 18 N 0.23 0.00 -0.94 2.35 6.46 -1.51 -3.29 115.31 118.61 1t3k h LEU 18 Ca -0.11 0.00 0.39 0.00 -0.12 0.00 0.00 57.88 58.04 1t3k h LEU 18 Cb 1.56 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 41.32 1t3k h LEU 18 CO 0.17 0.00 0.48 1.57 -0.62 0.00 0.00 178.44 180.05 1t3k n HIS 19 N -2.38 1.07 -3.48 1.25 -0.00 0.23 -4.81 115.22 107.11 1t3k n HIS 19 Ca 0.03 1.11 -0.22 0.00 0.46 0.00 0.00 57.72 59.10 1t3k n HIS 19 Cb 0.30 -1.50 0.06 0.00 -0.12 0.00 0.00 29.99 28.72 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 -5.14 -2.42 -1.11 1.57 0.63 -1.24 -4.70 116.66 104.25 1t3k n ARG 20 Ca 0.35 0.68 0.15 0.00 -0.92 0.00 0.00 57.85 58.11 1t3k n ARG 20 Cb 1.19 -5.11 -0.04 0.00 0.45 0.00 0.00 32.46 28.95 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 -3.77 -2.24 0.00 -0.14 5.12 -1.26 -4.81 116.66 109.56 1t3k n ARG 21 Ca -0.12 1.48 0.00 0.00 -1.93 0.00 0.00 57.85 57.28 1t3k n ARG 21 Cb 0.62 -2.73 0.00 0.00 -1.16 0.00 0.00 32.46 29.18 1t3k n ARG 21 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1t3k n PRO 22 N -3.64 0.00 -1.86 5.56 -0.02 -1.26 -4.54 135.00 129.24 1t3k n PRO 22 Ca 0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.39 1t3k n PRO 22 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.96 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 0.00 -2.89 -4.39 2.55 6.94 -1.26 -4.80 115.26 111.40 1t3k n ASN 23 Ca 0.00 0.25 -0.32 0.00 -0.02 0.00 0.00 54.58 54.49 1t3k n ASN 23 Cb 0.00 -2.65 -0.14 0.00 -2.36 0.00 0.00 39.78 34.62 1t3k n ASN 23 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1t3k s ILE 24 N -2.14 2.78 -0.02 1.53 -5.25 -1.26 0.47 121.20 117.31 1t3k s ILE 24 Ca 0.00 -0.80 -0.26 0.00 -0.99 0.00 0.00 60.65 58.59 1t3k s ILE 24 Cb 0.00 -2.09 0.06 0.00 2.95 0.00 0.00 42.46 43.38 1t3k s ILE 24 CO 0.00 0.57 0.59 0.00 -1.79 0.00 0.00 174.94 174.30 1t3k s ALA 25 N -0.29 -1.52 -0.14 2.27 0.00 0.17 -4.92 121.76 117.33 1t3k s ALA 25 Ca 0.01 1.00 -0.05 0.00 0.00 0.00 0.00 51.96 52.92 1t3k s ALA 25 Cb -0.13 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1t3k s ALA 25 CO 0.03 -0.39 0.04 0.42 0.00 0.00 0.00 175.76 175.86 1t3k s ILE 26 N -1.52 4.61 0.01 0.00 1.01 -1.26 -1.53 121.20 122.52 1t3k s ILE 26 Ca -0.10 -0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 1t3k s ILE 26 Cb -0.01 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 1t3k s ILE 26 CO 0.06 0.53 0.37 -0.63 0.00 0.00 0.00 174.94 175.27 1t3k s ILE 27 N -0.17 5.11 -0.03 2.92 1.01 0.50 -1.51 121.20 129.04 1t3k s ILE 27 Ca 0.06 0.64 0.03 0.00 0.00 0.00 0.00 60.65 61.38 1t3k s ILE 27 Cb -0.12 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1t3k s ILE 27 CO 0.02 0.50 -0.10 -1.81 0.00 0.00 0.00 174.94 173.55 1t3k s ASP 28 N -1.27 1.28 -0.73 3.58 1.01 0.04 -1.40 116.67 119.17 1t3k s ASP 28 Ca 0.25 -0.20 -0.05 0.00 0.71 0.00 0.00 52.55 53.26 1t3k s ASP 28 Cb -0.15 -0.35 0.19 0.00 1.01 0.00 0.00 42.92 43.61 1t3k s ASP 28 CO 0.14 0.07 0.59 0.68 0.21 0.00 0.00 175.17 176.86 1t3k s VAL 29 N 0.21 4.34 0.00 -1.27 -7.23 -1.26 -1.67 120.40 113.51 1t3k s VAL 29 Ca -0.04 -3.02 0.00 0.00 -1.81 0.00 0.00 61.98 57.11 1t3k s VAL 29 Cb -0.09 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.10 1t3k s VAL 29 CO 0.01 -0.96 0.00 0.54 -0.31 0.00 0.00 175.10 174.38 1t3k n ARG 30 N 3.37 0.00 0.00 4.82 5.12 0.47 -4.86 116.66 125.58 1t3k n ARG 30 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1t3k n ARG 30 Cb 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.70 1t3k n ARG 30 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1t3k n ASP 31 N 0.00 0.00 -0.76 0.55 8.00 -1.02 -4.34 116.55 118.98 1t3k n ASP 31 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 1t3k n ASP 31 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.28 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 1.58 0.25 -1.24 -0.58 -1.26 -4.55 120.64 114.83 1t3k n GLU 32 Ca 0.00 -3.26 0.14 0.00 -0.42 0.00 0.00 57.16 53.62 1t3k n GLU 32 Cb 0.00 -1.53 0.74 0.00 -0.57 0.00 0.00 31.44 30.08 1t3k n GLU 32 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1t3k h GLU 33 N 1.07 0.00 -0.05 3.49 4.81 -1.94 0.27 114.58 122.23 1t3k h GLU 33 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1t3k h GLU 33 Cb 1.10 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1t3k h GLU 33 CO 0.05 0.00 -0.06 0.00 -0.73 0.00 0.00 179.01 178.27 1t3k h ARG 34 N 0.00 0.07 0.00 1.92 3.08 -1.85 -0.79 114.38 116.81 1t3k h ARG 34 Ca 0.00 -0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.80 1t3k h ARG 34 Cb 0.32 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1t3k h ARG 34 CO 0.00 0.14 -1.27 -0.91 -1.07 0.00 0.00 179.97 176.86 1t3k h ASN 35 N 0.07 0.00 0.10 7.04 2.35 -0.85 -3.26 115.58 121.04 1t3k h ASN 35 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1t3k h ASN 35 Cb 0.15 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 1t3k h ASN 35 CO 0.01 0.97 -0.03 1.88 -1.65 0.00 0.00 177.43 178.61 1t3k h TYR 36 N 0.00 0.00 0.00 1.19 -1.99 -1.07 -3.45 116.97 111.64 1t3k h TYR 36 Ca -0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.61 1t3k h TYR 36 Cb 1.85 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.58 1t3k h TYR 36 CO 0.00 0.03 0.00 -0.40 -0.00 0.00 0.00 178.16 177.79 1t3k n ASP 37 N -3.80 0.00 -4.56 3.88 5.75 -0.92 -4.97 116.55 111.93 1t3k n ASP 37 Ca -0.03 0.00 -0.46 0.00 -0.01 0.00 0.00 54.79 54.29 1t3k n ASP 37 Cb 0.12 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.17 1t3k n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1t3k n GLY 38 N -2.00 0.94 0.00 6.12 0.00 -1.22 -3.96 105.19 105.06 1t3k n GLY 38 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 10.14 0.00 0.86 1.61 8.25 -1.26 -4.76 115.22 130.05 1t3k n HIS 39 Ca 0.32 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.78 1t3k n HIS 39 Cb 0.35 0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1t3k n HIS 39 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1t3k n ILE 40 N 0.00 1.11 -3.90 1.59 0.13 -1.26 -3.28 119.36 113.75 1t3k n ILE 40 Ca 0.00 -0.08 -0.11 0.00 -1.10 0.00 0.00 62.75 61.47 1t3k n ILE 40 Cb 0.42 -1.02 -0.12 0.00 -0.84 0.00 0.00 39.64 38.08 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1t3k s ALA 41 N -0.08 -0.06 -0.31 1.51 0.00 0.71 -3.54 121.76 119.99 1t3k s ALA 41 Ca 0.01 -0.18 0.20 0.00 0.00 0.00 0.00 51.96 52.00 1t3k s ALA 41 Cb 0.01 0.03 0.19 0.00 0.00 0.00 0.00 23.12 23.35 1t3k s ALA 41 CO 0.00 -0.10 1.45 0.78 0.00 0.00 0.00 175.76 177.89 1t3k h GLY 42 N 5.29 0.00 -2.24 0.00 0.00 -1.57 -2.98 103.07 101.58 1t3k h GLY 42 Ca -0.28 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.54 1t3k h GLY 42 CO 0.44 0.00 -2.21 -1.26 0.00 0.00 0.00 176.54 173.51 1t3k n SER 43 N -3.08 -3.79 -4.14 0.19 2.88 -1.26 -4.65 113.62 99.77 1t3k n SER 43 Ca 0.02 0.06 -0.33 0.00 -1.33 0.00 0.00 58.87 57.29 1t3k n SER 43 Cb 0.61 -0.66 -0.15 0.00 -0.75 0.00 0.00 64.21 63.26 1t3k n SER 43 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1t3k s LEU 44 N 6.58 2.51 0.07 2.46 2.96 -0.57 -4.95 118.68 127.76 1t3k s LEU 44 Ca 0.40 -0.75 -0.08 0.00 -0.22 0.00 0.00 54.13 53.48 1t3k s LEU 44 Cb -0.02 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 45.08 1t3k s LEU 44 CO 0.71 -0.04 0.36 -1.00 -1.32 0.00 0.00 176.35 175.06 1t3k s HIS 45 N 1.29 3.56 0.20 5.38 3.76 -1.25 -0.78 115.29 127.44 1t3k s HIS 45 Ca 0.03 0.67 -0.17 0.00 -0.15 0.00 0.00 55.06 55.44 1t3k s HIS 45 Cb -0.14 -2.08 0.06 0.00 1.11 0.00 0.00 32.58 31.53 1t3k s HIS 45 CO -0.10 0.52 0.82 2.48 -0.85 0.00 0.00 174.74 177.62 1t3k n TYR 46 N 0.77 -1.49 -2.28 1.40 4.11 -0.67 -4.84 117.16 114.16 1t3k n TYR 46 Ca -0.08 -1.21 0.00 0.00 -0.00 0.00 0.00 57.90 56.61 1t3k n TYR 46 Cb 0.52 0.60 0.00 0.00 -0.00 0.00 0.00 39.34 40.46 1t3k n TYR 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1t3k n ALA 47 N -1.06 0.00 -1.83 -3.48 0.00 -1.26 0.18 120.51 113.06 1t3k n ALA 47 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.37 1t3k n ALA 47 Cb 0.50 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.91 1.46 -0.04 0.00 3.41 -1.26 -4.39 113.62 110.90 1t3k n SER 48 Ca 0.00 -3.12 -0.09 0.00 -0.26 0.00 0.00 58.87 55.39 1t3k n SER 48 Cb 0.00 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.38 1t3k n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t3k n GLY 49 N -0.61 -0.98 0.96 5.00 0.00 -1.26 -4.31 105.19 103.99 1t3k n GLY 49 Ca 0.14 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.01 1.16 0.15 1.61 3.41 -1.26 -4.82 113.62 110.86 1t3k n SER 50 Ca -0.21 -2.62 0.09 0.00 -0.26 0.00 0.00 58.87 55.87 1t3k n SER 50 Cb 1.07 -0.36 0.51 0.00 -0.26 0.00 0.00 64.21 65.17 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 -0.20 0.63 -0.19 7.33 -1.74 -1.26 0.45 117.46 122.48 1t3k n PHE 51 Ca 0.10 0.33 0.09 0.00 -0.56 0.00 0.00 57.45 57.41 1t3k n PHE 51 Cb 0.91 -1.01 0.30 0.00 1.52 0.00 0.00 39.48 41.20 1t3k n PHE 51 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1t3k n ASP 52 N -2.16 3.83 -0.09 5.98 5.68 -1.26 -3.80 116.55 124.73 1t3k n ASP 52 Ca -0.01 -2.17 0.01 0.00 -0.50 0.00 0.00 54.79 52.12 1t3k n ASP 52 Cb 0.06 -0.48 0.01 0.00 -1.14 0.00 0.00 41.12 39.57 1t3k n ASP 52 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1t3k n ASP 53 N 1.22 1.14 0.02 -1.12 9.92 0.17 -4.49 116.55 123.42 1t3k n ASP 53 Ca 0.22 -1.07 0.07 0.00 -0.53 0.00 0.00 54.79 53.48 1t3k n ASP 53 Cb 0.66 0.05 -0.10 0.00 -0.64 0.00 0.00 41.12 41.09 1t3k n ASP 53 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1t3k n LYS 54 N 0.07 0.64 0.11 -1.24 4.76 -1.21 -3.39 118.16 117.90 1t3k n LYS 54 Ca 0.01 -0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 1t3k n LYS 54 Cb 0.06 -1.66 0.06 0.00 -1.84 0.00 0.00 35.03 31.64 1t3k n LYS 54 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1t3k h ILE 55 N 0.00 0.00 0.00 -0.18 5.03 -1.80 -2.01 117.51 118.54 1t3k h ILE 55 Ca -0.09 -0.88 -0.15 0.00 -0.12 0.00 0.00 64.86 63.62 1t3k h ILE 55 Cb 1.23 1.46 -0.02 0.00 -3.03 0.00 0.00 36.82 36.46 1t3k h ILE 55 CO 0.01 0.00 -1.05 -1.28 -0.68 0.00 0.00 178.15 175.15 1t3k h SER 56 N 0.00 0.00 -0.16 1.72 0.87 -1.79 0.16 113.55 114.36 1t3k h SER 56 Ca 0.00 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.34 1t3k h SER 56 Cb 0.94 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.91 1t3k h SER 56 CO 0.00 0.57 -0.75 -0.74 -0.53 0.00 0.00 176.83 175.39 1t3k h HIS 57 N 0.00 1.05 0.07 2.24 6.17 -1.58 0.38 115.15 123.48 1t3k h HIS 57 Ca -0.09 -0.46 -0.25 0.00 0.71 0.00 0.00 60.37 60.27 1t3k h HIS 57 Cb 1.52 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 31.29 1t3k h HIS 57 CO 0.00 1.29 -1.11 -0.07 0.71 0.00 0.00 177.93 178.75 1t3k h LEU 58 N 0.51 0.46 -1.03 0.26 3.38 -1.35 -2.78 115.31 114.76 1t3k h LEU 58 Ca -0.05 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 1t3k h LEU 58 Cb 1.38 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1t3k h LEU 58 CO 0.15 1.29 0.03 0.58 0.09 0.00 0.00 178.44 180.58 1t3k h VAL 59 N 0.13 1.23 -0.09 1.22 2.07 -0.58 -0.64 116.25 119.58 1t3k h VAL 59 Ca -0.11 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 1t3k h VAL 59 Cb 1.80 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1t3k h VAL 59 CO 0.18 0.32 -0.23 -0.61 0.02 0.00 0.00 177.57 177.26 1t3k h GLN 60 N 0.69 0.14 0.16 1.57 4.15 -0.13 -2.89 115.11 118.81 1t3k h GLN 60 Ca 0.14 -0.04 -0.30 0.00 0.77 0.00 0.00 58.65 59.23 1t3k h GLN 60 Cb 0.38 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.07 1t3k h GLN 60 CO 0.01 0.37 -1.34 -0.91 -1.93 0.00 0.00 178.83 175.03 1t3k h ASN 61 N 0.13 0.54 -6.83 -0.69 -0.26 -1.05 -3.48 115.58 103.95 1t3k h ASN 61 Ca 0.02 -0.60 -0.57 0.00 -0.56 0.00 0.00 56.30 54.60 1t3k h ASN 61 Cb 0.48 -0.18 -0.11 0.00 -1.06 0.00 0.00 38.32 37.45 1t3k h ASN 61 CO 0.03 1.47 -0.95 1.33 -1.06 0.00 0.00 177.43 178.25 1t3k n VAL 62 N -3.58 -2.25 0.48 2.81 0.24 -0.33 -4.79 118.33 110.91 1t3k n VAL 62 Ca -0.12 -0.55 0.06 0.00 -2.04 0.00 0.00 64.34 61.69 1t3k n VAL 62 Cb 1.05 -1.94 0.28 0.00 -1.47 0.00 0.00 33.84 31.75 1t3k n VAL 62 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1t3k n LYS 63 N -4.60 0.08 0.00 7.34 4.76 -1.26 -4.87 118.16 119.61 1t3k n LYS 63 Ca -0.27 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1t3k n LYS 63 Cb 0.66 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 1t3k n LYS 63 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1t3k n ASP 64 N -1.40 0.00 -4.57 4.39 2.03 -1.26 -4.76 116.55 110.98 1t3k n ASP 64 Ca 0.04 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.94 1t3k n ASP 64 Cb 0.12 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.49 1t3k n ASP 64 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1t3k s LYS 65 N 0.00 3.16 -0.25 -0.67 3.01 -1.26 -4.60 119.74 119.13 1t3k s LYS 65 Ca 0.00 0.33 -0.07 0.00 -1.01 0.00 0.00 55.97 55.22 1t3k s LYS 65 Cb 0.00 -4.18 0.12 0.00 -1.01 0.00 0.00 37.83 32.76 1t3k s LYS 65 CO 0.00 -2.12 0.53 0.34 0.51 0.00 0.00 175.35 174.61 1t3k s ASP 66 N 4.90 -0.68 -0.10 2.83 2.15 -1.26 -4.75 116.67 119.76 1t3k s ASP 66 Ca 0.51 1.15 0.04 0.00 0.43 0.00 0.00 52.55 54.68 1t3k s ASP 66 Cb -0.11 1.80 0.00 0.00 -0.30 0.00 0.00 42.92 44.31 1t3k s ASP 66 CO 0.22 -0.24 -0.22 -0.89 -0.17 0.00 0.00 175.17 173.87 1t3k s THR 67 N 2.75 1.93 -0.05 1.71 2.01 1.68 0.25 115.64 125.90 1t3k s THR 67 Ca 0.00 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1t3k s THR 67 Cb -0.13 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.73 1t3k s THR 67 CO -0.16 0.53 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.45 1t3k s LEU 68 N 0.41 1.54 -0.15 4.42 1.02 -0.29 -0.65 118.68 124.97 1t3k s LEU 68 Ca -0.18 -0.21 0.01 0.00 0.02 0.00 0.00 54.13 53.77 1t3k s LEU 68 Cb -0.18 -0.63 0.02 0.00 0.02 0.00 0.00 46.19 45.43 1t3k s LEU 68 CO 0.08 0.00 -0.17 0.54 0.02 0.00 0.00 176.35 176.82 1t3k s VAL 69 N 0.69 1.74 0.15 -1.59 0.11 -0.58 -1.18 120.40 119.74 1t3k s VAL 69 Ca -0.12 -0.75 0.03 0.00 -2.93 0.00 0.00 61.98 58.21 1t3k s VAL 69 Cb -0.14 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.07 1t3k s VAL 69 CO 0.02 0.49 0.21 0.72 -3.33 0.00 0.00 175.10 173.21 1t3k s PHE 70 N 1.30 3.34 0.00 1.54 -0.12 -0.77 -0.37 117.98 122.91 1t3k s PHE 70 Ca 0.02 0.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.97 1t3k s PHE 70 Cb -0.13 -1.61 0.00 0.00 -0.63 0.00 0.00 43.02 40.65 1t3k s PHE 70 CO -0.09 0.52 0.00 0.72 -0.05 0.00 0.00 175.22 176.32 1t3k n HIS 71 N -0.37 0.00 -0.70 3.49 8.25 -0.49 -3.24 115.22 122.16 1t3k n HIS 71 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1t3k n HIS 71 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 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 0.00 0.00 0.41 7.64 -1.26 -3.95 113.62 116.45 1t3k n SER 72 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1t3k n SER 72 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.14 0.00 0.00 -0.43 0.00 -1.26 -4.72 120.51 113.96 1t3k n ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t3k n ALA 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1t3k n ALA 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1t3k n LEU 74 N -1.24 0.87 -2.34 0.00 -0.00 -1.25 -5.02 117.00 108.02 1t3k n LEU 74 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 1t3k n LEU 74 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 1t3k n LEU 74 CO 0.00 0.15 -0.12 -1.20 -0.00 0.00 0.00 177.39 176.22 1t3k n SER 75 N -1.74 -3.11 -0.02 1.45 7.64 -1.26 -4.75 113.62 111.83 1t3k n SER 75 Ca 0.00 0.27 -0.03 0.00 1.01 0.00 0.00 58.87 60.12 1t3k n SER 75 Cb 0.16 -2.71 -0.02 0.00 -1.01 0.00 0.00 64.21 60.63 1t3k n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t3k n GLN 76 N -2.62 0.98 0.00 1.43 10.64 -1.26 -5.01 117.38 121.54 1t3k n GLN 76 Ca -0.11 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 1t3k n GLN 76 Cb 0.56 -1.10 0.00 0.00 -0.86 0.00 0.00 30.24 28.84 1t3k n GLN 76 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1t3k n VAL 77 N -2.51 0.00 0.21 -0.39 3.14 -1.26 -4.98 118.33 112.54 1t3k n VAL 77 Ca -0.08 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.38 1t3k n VAL 77 Cb 0.60 0.00 0.46 0.00 -1.06 0.00 0.00 33.84 33.84 1t3k n VAL 77 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1t3k h ARG 78 N 0.00 0.00 -0.91 1.45 9.65 -1.95 -3.30 114.38 119.32 1t3k h ARG 78 Ca 0.00 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.96 1t3k h ARG 78 Cb 0.00 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 28.47 1t3k h ARG 78 CO 0.00 0.27 -0.56 0.78 2.80 0.00 0.00 179.97 183.27 1t3k h GLY 79 N 1.77 -0.95 0.98 2.80 0.00 -1.90 1.09 103.07 106.87 1t3k h GLY 79 Ca -0.00 0.81 0.11 0.00 0.00 0.00 0.00 47.33 48.25 1t3k h GLY 79 CO 0.04 -0.02 0.42 -0.56 0.00 0.00 0.00 176.54 176.42 1t3k h PRO 80 N -0.02 0.40 -0.50 4.80 0.13 -1.90 0.49 132.00 135.39 1t3k h PRO 80 Ca 0.15 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1t3k h PRO 80 Cb 0.40 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.41 1t3k h PRO 80 CO -0.87 0.26 0.33 1.15 -0.23 0.00 0.00 178.00 178.65 1t3k h THR 81 N 0.41 1.12 -0.88 1.56 2.02 0.96 0.23 112.91 118.33 1t3k h THR 81 Ca 0.29 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1t3k h THR 81 Cb 0.59 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1t3k h THR 81 CO -0.08 0.12 0.52 0.00 0.37 0.00 0.00 175.52 176.45 1t3k h ALA 83 N 1.28 1.34 -0.39 0.00 0.00 -0.30 -0.03 119.26 121.16 1t3k h ALA 83 Ca 0.31 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1t3k h ALA 83 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1t3k h ALA 83 CO -0.06 0.46 0.23 0.00 0.00 0.00 0.00 179.25 179.88 1t3k h ARG 84 N 0.58 0.52 -0.66 0.00 2.47 0.11 0.21 114.38 117.60 1t3k h ARG 84 Ca 0.13 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 1t3k h ARG 84 Cb 0.32 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 1t3k h ARG 84 CO 0.01 0.37 0.28 0.00 0.56 0.00 0.00 179.97 181.18 1t3k h ARG 85 N 0.53 0.98 -0.93 0.04 2.47 0.16 0.30 114.38 117.94 1t3k h ARG 85 Ca 0.14 -0.17 0.04 0.00 -1.26 0.00 0.00 59.98 58.73 1t3k h ARG 85 Cb -0.01 -0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 28.09 1t3k h ARG 85 CO -0.03 0.81 0.61 -0.07 0.56 0.00 0.00 179.97 181.86 1t3k h LEU 86 N 0.93 0.99 -1.08 3.04 4.07 -0.52 0.24 115.31 122.99 1t3k h LEU 86 Ca 0.22 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.11 1t3k h LEU 86 Cb 0.19 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1t3k h LEU 86 CO -0.02 0.67 -0.06 0.58 -1.08 0.00 0.00 178.44 178.53 1t3k h VAL 87 N 1.15 1.23 -0.16 1.22 2.07 -0.06 -2.22 116.25 119.47 1t3k h VAL 87 Ca 0.37 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1t3k h VAL 87 Cb 0.05 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1t3k h VAL 87 CO -0.12 0.32 0.04 -1.13 0.02 0.00 0.00 177.57 176.70 1t3k h ASN 88 N 0.54 0.03 -0.38 0.57 -1.24 0.29 0.19 115.58 115.58 1t3k h ASN 88 Ca 0.11 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 1t3k h ASN 88 Cb 0.44 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 1t3k h ASN 88 CO 0.02 0.04 0.23 0.22 -1.29 0.00 0.00 177.43 176.65 1t3k h TYR 89 N 0.11 0.51 -0.99 0.67 5.03 -1.07 0.42 116.97 121.66 1t3k h TYR 89 Ca 0.07 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.49 1t3k h TYR 89 Cb 0.06 -0.17 -0.08 0.00 1.55 0.00 0.00 36.73 38.09 1t3k h TYR 89 CO -0.12 0.37 0.62 1.25 -1.32 0.00 0.00 178.16 178.96 1t3k h LEU 90 N 0.50 0.91 -1.05 2.82 6.46 -0.93 0.62 115.31 124.63 1t3k h LEU 90 Ca 0.14 0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.84 1t3k h LEU 90 Cb 0.02 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 1t3k h LEU 90 CO -0.02 0.49 -0.47 -0.78 -0.62 0.00 0.00 178.44 177.03 1t3k h ASP 91 N 0.99 0.00 0.73 1.25 1.82 0.42 -2.70 116.42 118.93 1t3k h ASP 91 Ca 0.49 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 57.09 1t3k h ASP 91 Cb 0.46 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.48 1t3k h ASP 91 CO -0.26 0.47 -0.35 -0.08 -1.61 0.00 0.00 179.24 177.41 1t3k h GLU 92 N 0.00 -0.95 0.00 0.28 4.22 0.47 -3.44 114.58 115.16 1t3k h GLU 92 Ca -0.00 0.06 -0.10 0.00 0.08 0.00 0.00 59.36 59.40 1t3k h GLU 92 Cb 0.84 0.22 -0.10 0.00 0.50 0.00 0.00 28.75 30.21 1t3k h GLU 92 CO 0.06 -0.63 0.07 1.63 -2.18 0.00 0.00 179.01 177.96 1t3k n LYS 93 N -4.65 0.38 -3.04 1.92 5.02 -0.71 -5.09 118.16 111.99 1t3k n LYS 93 Ca -0.12 -0.85 0.00 0.00 -2.02 0.00 0.00 58.31 55.32 1t3k n LYS 93 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 1t3k n LYS 93 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1t3k n LYS 94 N -0.53 -0.50 -0.61 1.97 3.00 -1.02 -5.02 118.16 115.45 1t3k n LYS 94 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 1t3k n LYS 94 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.71 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 0.00 0.00 -1.46 1.64 1.02 -1.26 -4.25 120.64 116.32 1t3k n GLU 95 Ca 0.00 0.00 -0.49 0.00 -0.02 0.00 0.00 57.16 56.65 1t3k n GLU 95 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1t3k n GLU 95 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1t3k n ASP 96 N -0.86 2.12 -3.83 1.62 5.75 -1.26 -4.85 116.55 115.24 1t3k n ASP 96 Ca 0.00 0.32 -0.09 0.00 -0.01 0.00 0.00 54.79 55.01 1t3k n ASP 96 Cb 0.00 -1.29 -0.04 0.00 -1.03 0.00 0.00 41.12 38.77 1t3k n ASP 96 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1t3k s THR 97 N 7.81 0.01 0.00 2.12 2.01 -1.26 -4.94 115.64 121.40 1t3k s THR 97 Ca 1.10 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1t3k s THR 97 Cb -0.80 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 69.89 1t3k s THR 97 CO 0.47 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 1t3k n GLY 98 N -0.38 0.58 3.81 4.40 0.00 -1.26 -4.86 105.19 107.48 1t3k n GLY 98 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 4.73 -0.17 -0.61 -4.36 -1.26 -4.53 121.20 114.99 1t3k s ILE 99 Ca 0.00 1.20 0.05 0.00 -0.26 0.00 0.00 60.65 61.64 1t3k s ILE 99 Cb 0.00 -3.89 -0.22 0.00 1.25 0.00 0.00 42.46 39.60 1t3k s ILE 99 CO 0.00 0.52 0.15 1.17 0.24 0.00 0.00 174.94 177.01 1t3k n LYS 100 N 1.60 0.69 -3.67 0.37 0.00 0.68 -4.95 118.16 112.87 1t3k n LYS 100 Ca -0.09 0.17 -0.09 0.00 0.00 0.00 0.00 58.31 58.30 1t3k n LYS 100 Cb 0.51 -1.62 -0.10 0.00 0.00 0.00 0.00 35.03 33.82 1t3k n LYS 100 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1t3k s ASN 101 N -6.36 -0.44 -0.18 3.14 0.02 -1.12 -5.00 114.94 105.01 1t3k s ASN 101 Ca -0.21 1.01 -0.12 0.00 -1.02 0.00 0.00 52.86 52.51 1t3k s ASN 101 Cb 0.08 1.15 -0.05 0.00 0.02 0.00 0.00 41.25 42.45 1t3k s ASN 101 CO 0.73 -0.22 0.23 -0.63 0.02 0.00 0.00 177.10 177.24 1t3k s ILE 102 N 2.06 5.35 0.15 0.60 1.01 -1.25 -1.14 121.20 127.98 1t3k s ILE 102 Ca -0.06 0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.97 1t3k s ILE 102 Cb -0.10 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1t3k s ILE 102 CO -0.13 0.41 0.13 -0.04 0.00 0.00 0.00 174.94 175.30 1t3k s MET 103 N 0.43 1.04 -0.09 2.79 -1.94 -0.33 -1.78 119.30 119.42 1t3k s MET 103 Ca 0.13 -1.41 0.03 0.00 -1.71 0.00 0.00 55.69 52.73 1t3k s MET 103 Cb -0.12 0.28 -0.01 0.00 2.01 0.00 0.00 34.83 36.99 1t3k s MET 103 CO 0.01 -0.33 -0.19 0.96 -0.01 0.00 0.00 175.02 175.47 1t3k s ILE 104 N -4.05 2.54 -0.42 2.53 -5.25 -1.14 -1.84 121.20 113.56 1t3k s ILE 104 Ca 0.25 -0.87 -0.16 0.00 -0.99 0.00 0.00 60.65 58.88 1t3k s ILE 104 Cb 0.06 -2.00 0.02 0.00 2.95 0.00 0.00 42.46 43.50 1t3k s ILE 104 CO 0.03 0.55 0.38 -0.22 -1.79 0.00 0.00 174.94 173.90 1t3k s LEU 105 N 0.09 5.00 -0.08 0.37 2.96 -1.20 -2.39 118.68 123.43 1t3k s LEU 105 Ca -0.09 -0.80 -0.19 0.00 -0.22 0.00 0.00 54.13 52.83 1t3k s LEU 105 Cb -0.15 -2.28 -0.15 0.00 0.50 0.00 0.00 46.19 44.10 1t3k s LEU 105 CO 0.06 -0.54 0.67 1.05 -1.32 0.00 0.00 176.35 176.27 1t3k h GLU 106 N 8.69 -0.12 -1.84 1.98 -0.00 -1.92 -3.32 114.58 118.05 1t3k h GLU 106 Ca -0.27 0.01 -0.32 0.00 -0.00 0.00 0.00 59.36 58.78 1t3k h GLU 106 Cb 1.11 0.03 -0.12 0.00 -0.00 0.00 0.00 28.75 29.77 1t3k h GLU 106 CO 0.77 0.36 0.20 0.54 -0.00 0.00 0.00 179.01 180.89 1t3k n ARG 107 N -4.82 1.96 0.16 1.06 5.12 -1.26 -4.63 116.66 114.25 1t3k n ARG 107 Ca -0.07 -1.56 -0.06 0.00 -1.93 0.00 0.00 57.85 54.23 1t3k n ARG 107 Cb 0.26 -1.81 -0.03 0.00 -1.16 0.00 0.00 32.46 29.72 1t3k n ARG 107 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1t3k h GLY 108 N 3.57 -0.44 0.00 -0.13 0.00 -1.98 -3.43 103.07 100.66 1t3k h GLY 108 Ca 0.27 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1t3k h GLY 108 CO 0.61 -0.16 0.00 1.97 0.00 0.00 0.00 176.54 178.96 1t3k n PHE 109 N -3.45 0.00 0.07 5.60 -1.74 -1.26 -4.70 117.46 111.98 1t3k n PHE 109 Ca -0.05 -0.03 -0.13 0.00 -0.56 0.00 0.00 57.45 56.68 1t3k n PHE 109 Cb 0.17 -0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.08 1t3k n PHE 109 CO 0.00 0.00 0.00 -0.91 -0.56 0.00 0.00 176.76 175.29 1t3k h ASN 110 N 0.00 -0.15 0.25 5.98 -0.26 -1.84 -0.64 115.58 118.92 1t3k h ASN 110 Ca 0.00 -0.26 -0.09 0.00 -0.56 0.00 0.00 56.30 55.39 1t3k h ASN 110 Cb 0.44 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 1t3k h ASN 110 CO 0.00 0.18 -0.37 1.23 -1.06 0.00 0.00 177.43 177.41 1t3k h GLY 111 N -0.50 0.19 0.70 2.83 0.00 -1.88 -1.04 103.07 103.37 1t3k h GLY 111 Ca -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1t3k h GLY 111 CO 0.03 0.15 -0.07 -0.25 0.00 0.00 0.00 176.54 176.40 1t3k h TRP 112 N 0.15 -0.19 0.07 5.60 7.01 -1.81 1.68 115.95 128.46 1t3k h TRP 112 Ca 0.02 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.01 1t3k h TRP 112 Cb 0.73 0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.85 1t3k h TRP 112 CO 0.01 0.11 -0.04 0.93 -2.79 0.00 0.00 178.44 176.67 1t3k h GLU 113 N -0.51 -0.10 -0.01 2.65 5.08 -1.11 0.89 114.58 121.48 1t3k h GLU 113 Ca -0.02 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1t3k h GLU 113 Cb 0.39 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1t3k h GLU 113 CO 0.03 0.28 -0.00 0.00 -1.00 0.00 0.00 179.01 178.32 1t3k h ALA 114 N 0.39 0.02 0.00 3.43 0.00 -1.25 -3.33 119.26 118.52 1t3k h ALA 114 Ca -0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1t3k h ALA 114 Cb 0.42 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1t3k h ALA 114 CO 0.02 -0.28 -1.70 0.45 0.00 0.00 0.00 179.25 177.73 1t3k n SER 115 N -4.89 2.09 -1.10 0.00 2.88 0.47 -4.53 113.62 108.55 1t3k n SER 115 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1t3k n SER 115 Cb 0.21 1.16 0.14 0.00 -0.75 0.00 0.00 64.21 64.97 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 2.04 2.22 3.51 0.46 0.00 0.40 -4.92 105.19 108.90 1t3k n GLY 116 Ca -0.11 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.63 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 0.17 -1.10 -0.93 1.61 2.85 -0.72 -4.75 118.16 115.29 1t3k n LYS 117 Ca 0.13 0.73 -0.37 0.00 -1.05 0.00 0.00 58.31 57.75 1t3k n LYS 117 Cb 0.67 -1.34 0.06 0.00 -0.65 0.00 0.00 35.03 33.76 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 -2.25 -0.28 -4.18 -1.58 -0.02 -1.26 -4.23 135.00 121.20 1t3k n PRO 118 Ca 0.00 -0.08 -0.31 0.00 -2.02 0.00 0.00 63.50 61.10 1t3k n PRO 118 Cb 0.25 -1.18 -0.08 0.00 -0.02 0.00 0.00 33.50 32.47 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 -2.07 4.07 0.00 -1.45 0.11 -1.26 -4.91 120.40 114.89 1t3k s VAL 119 Ca 0.42 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1t3k s VAL 119 Cb -0.03 -2.90 0.00 0.00 -1.53 0.00 0.00 36.38 31.92 1t3k s VAL 119 CO 0.71 0.20 0.00 0.00 -3.33 0.00 0.00 175.10 172.67 1t3k n ARG 121 N 0.00 0.00 -0.23 0.00 1.85 -1.25 -4.88 116.66 112.14 1t3k n ARG 121 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.88 1t3k n ARG 121 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 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 -0.54 0.00 0.00 0.00 0.00 -1.26 -5.03 120.51 113.68 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 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1t3k n ALA 123 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1t3k n GLU 124 N -0.61 0.00 -0.92 0.00 1.02 -1.26 -5.15 120.64 113.73 1t3k n GLU 124 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 1t3k n GLU 124 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.49 1t3k n GLU 124 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1t3k n VAL 125 N 0.00 0.00 -0.15 2.62 0.24 -1.26 -4.48 118.33 115.29 1t3k n VAL 125 Ca 0.00 -0.38 -0.11 0.00 -2.04 0.00 0.00 64.34 61.81 1t3k n VAL 125 Cb 0.00 -0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 32.10 1t3k n VAL 125 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1t3k n PRO 126 N 0.86 0.00 0.00 7.34 -0.04 -1.26 -4.83 135.00 137.07 1t3k n PRO 126 Ca 0.01 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 1t3k n PRO 126 Cb 0.55 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 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 1.42 0.00 -2.19 0.00 4.76 -1.21 -4.97 118.16 115.98 1t3k n LYS 128 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1t3k n LYS 128 Cb 0.00 -0.04 -0.02 0.00 -1.84 0.00 0.00 35.03 33.13 1t3k n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1t3k n GLY 129 N 1.66 -0.03 2.99 0.72 0.00 -1.20 -4.91 105.19 104.42 1t3k n GLY 129 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.36 0.03 -0.64 1.61 2.15 -1.13 -4.02 116.67 112.31 1t3k s ASP 130 Ca 0.00 -0.10 0.05 0.00 0.43 0.00 0.00 52.55 52.93 1t3k s ASP 130 Cb 0.00 0.15 0.19 0.00 -0.30 0.00 0.00 42.92 42.96 1t3k s ASP 130 CO 0.00 -0.17 0.55 0.00 -0.17 0.00 0.00 175.17 175.37