#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 -2.85 -3.00 3.04 0.00 -1.26 -5.06 120.51 111.38 1t3k n ALA 2 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1t3k n ALA 2 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1t3k n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1t3k n MET 3 N -3.53 0.00 -1.14 0.00 2.00 -1.26 -5.12 117.12 108.06 1t3k n MET 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1t3k n MET 3 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.73 1t3k n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t3k n ALA 4 N -3.00 -2.72 -2.65 3.04 0.00 -1.26 -5.09 120.51 108.83 1t3k n ALA 4 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1t3k n ALA 4 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 1t3k n ALA 4 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1t3k n ARG 5 N 0.18 0.01 -1.32 0.00 1.85 -1.26 -5.14 116.66 110.99 1t3k n ARG 5 Ca 0.00 -0.51 0.00 0.00 -1.00 0.00 0.00 57.85 56.34 1t3k n ARG 5 Cb 0.00 -0.01 0.00 0.00 -1.05 0.00 0.00 32.46 31.40 1t3k n ARG 5 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1t3k n SER 6 N 0.19 -7.26 -0.31 2.89 3.41 -1.26 -4.96 113.62 106.32 1t3k n SER 6 Ca -0.15 1.15 0.04 0.00 -0.26 0.00 0.00 58.87 59.65 1t3k n SER 6 Cb 0.72 -3.88 -0.01 0.00 -0.26 0.00 0.00 64.21 60.78 1t3k n SER 6 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1t3k n ILE 7 N -1.25 0.00 -4.42 -1.33 -5.35 -1.26 -4.92 119.36 100.83 1t3k n ILE 7 Ca 0.00 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.21 1t3k n ILE 7 Cb 0.09 -0.10 -0.09 0.00 -1.74 0.00 0.00 39.64 37.80 1t3k n ILE 7 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1t3k s SER 8 N -2.44 4.14 -0.03 7.28 0.01 -0.95 -4.95 113.70 116.74 1t3k s SER 8 Ca 0.00 -1.28 0.01 0.00 1.31 0.00 0.00 55.95 55.99 1t3k s SER 8 Cb 0.00 -0.33 0.02 0.00 0.21 0.00 0.00 66.02 65.92 1t3k s SER 8 CO 0.00 -0.54 -0.04 -0.72 0.41 0.00 0.00 173.24 172.35 1t3k s TYR 9 N -2.68 0.61 -0.03 2.43 1.13 -1.26 0.16 117.35 117.70 1t3k s TYR 9 Ca 0.35 -0.14 -0.01 0.00 -1.41 0.00 0.00 57.07 55.86 1t3k s TYR 9 Cb 0.06 -0.55 0.02 0.00 -1.10 0.00 0.00 41.96 40.40 1t3k s TYR 9 CO 0.19 -0.14 0.07 0.42 -2.51 0.00 0.00 175.55 173.57 1t3k s ILE 10 N 0.76 -0.04 0.51 -3.49 1.09 -0.94 -4.86 121.20 114.22 1t3k s ILE 10 Ca -0.09 0.14 0.04 0.00 -1.10 0.00 0.00 60.65 59.64 1t3k s ILE 10 Cb -0.12 -0.12 0.03 0.00 -1.06 0.00 0.00 42.46 41.19 1t3k s ILE 10 CO -0.00 0.06 0.71 -0.89 -0.10 0.00 0.00 174.94 174.71 1t3k s THR 11 N 0.76 2.74 0.19 2.92 2.01 -1.26 -3.80 115.64 119.20 1t3k s THR 11 Ca -0.06 -0.80 -0.16 0.00 0.31 0.00 0.00 61.69 60.97 1t3k s THR 11 Cb -0.09 -2.94 0.18 0.00 0.01 0.00 0.00 72.50 69.67 1t3k s THR 11 CO -0.03 0.00 1.62 0.77 -0.69 0.00 0.00 174.62 176.30 1t3k h SER 12 N 0.26 -0.68 -0.14 3.53 4.64 -2.00 -0.56 113.55 118.60 1t3k h SER 12 Ca -0.40 0.18 -0.14 0.00 -0.47 0.00 0.00 61.79 60.96 1t3k h SER 12 Cb 1.29 0.40 -0.01 0.00 -0.31 0.00 0.00 62.40 63.77 1t3k h SER 12 CO 0.48 -0.23 -0.38 0.71 -0.87 0.00 0.00 176.83 176.55 1t3k h THR 13 N -0.06 1.29 0.00 2.95 1.35 -2.02 -2.18 112.91 114.24 1t3k h THR 13 Ca 0.26 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 1t3k h THR 13 Cb 0.46 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1t3k h THR 13 CO -0.60 0.50 0.10 1.56 -0.25 0.00 0.00 175.52 176.83 1t3k h GLN 14 N 0.55 0.00 0.00 4.72 1.08 -1.51 1.18 115.11 121.13 1t3k h GLN 14 Ca 0.05 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.18 1t3k h GLN 14 Cb 0.90 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 1t3k h GLN 14 CO 0.08 0.00 -0.31 1.25 -0.95 0.00 0.00 178.83 178.90 1t3k h LEU 15 N 0.00 0.00 0.28 1.46 5.85 -0.60 -3.19 115.31 119.11 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 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1t3k h LEU 15 CO 0.00 0.31 -0.13 0.25 -0.34 0.00 0.00 178.44 178.53 1t3k h LEU 16 N 0.00 -0.32 -1.26 2.25 7.12 0.13 -2.55 115.31 120.68 1t3k h LEU 16 Ca -0.00 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.88 1t3k h LEU 16 Cb 0.66 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.87 1t3k h LEU 16 CO 0.04 -0.06 0.03 -0.81 -0.13 0.00 0.00 178.44 177.51 1t3k n PRO 17 N -5.17 0.12 -3.16 5.25 -0.04 -1.20 -2.94 135.00 127.87 1t3k n PRO 17 Ca -0.10 0.62 -0.21 0.00 -0.04 0.00 0.00 63.50 63.77 1t3k n PRO 17 Cb 0.23 -1.94 -0.05 0.00 -0.04 0.00 0.00 33.50 31.70 1t3k n PRO 17 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1t3k n LEU 18 N -2.17 0.15 -1.73 1.53 -0.00 -1.11 -4.97 117.00 108.70 1t3k n LEU 18 Ca -0.01 -4.69 -0.05 0.00 -0.00 0.00 0.00 56.01 51.25 1t3k n LEU 18 Cb 0.06 0.68 -0.08 0.00 -0.00 0.00 0.00 43.42 44.08 1t3k n LEU 18 CO 0.08 2.13 1.28 0.00 -0.00 0.00 0.00 177.39 180.88 1t3k n HIS 19 N 1.10 0.01 -0.19 1.47 1.44 -0.98 -4.61 115.22 113.46 1t3k n HIS 19 Ca 0.21 -1.23 0.00 0.00 -2.01 0.00 0.00 57.72 54.69 1t3k n HIS 19 Cb 0.57 -1.00 0.00 0.00 0.12 0.00 0.00 29.99 29.68 1t3k n HIS 19 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1t3k n ARG 20 N 1.95 0.69 -0.23 -1.40 1.74 -1.26 -4.62 116.66 113.52 1t3k n ARG 20 Ca 0.20 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.29 1t3k n ARG 20 Cb 0.69 -1.16 0.05 0.00 -1.02 0.00 0.00 32.46 31.02 1t3k n ARG 20 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1t3k n ARG 21 N 1.50 -0.10 -0.58 5.56 0.63 -1.26 0.23 116.66 122.63 1t3k n ARG 21 Ca 0.00 0.94 0.45 0.00 -0.92 0.00 0.00 57.85 58.32 1t3k n ARG 21 Cb 0.34 -1.40 0.70 0.00 0.45 0.00 0.00 32.46 32.55 1t3k n ARG 21 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1t3k n PRO 22 N -4.94 0.00 -3.19 -0.14 -0.02 -1.26 -1.42 135.00 124.03 1t3k n PRO 22 Ca 0.08 0.98 -0.22 0.00 -2.02 0.00 0.00 63.50 62.32 1t3k n PRO 22 Cb 0.27 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 1t3k n PRO 22 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1t3k n ASN 23 N -3.64 0.98 -3.95 2.55 4.13 0.13 -4.82 115.26 110.63 1t3k n ASN 23 Ca 0.38 -2.95 -0.14 0.00 1.68 0.00 0.00 54.58 53.54 1t3k n ASN 23 Cb 1.78 -0.63 -0.14 0.00 -1.54 0.00 0.00 39.78 39.25 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 -2.06 0.32 -0.07 2.41 2.07 -0.51 -0.06 121.20 123.30 1t3k s ILE 24 Ca 0.39 -0.30 -0.28 0.00 -1.41 0.00 0.00 60.65 59.05 1t3k s ILE 24 Cb 0.26 -0.30 0.06 0.00 0.13 0.00 0.00 42.46 42.61 1t3k s ILE 24 CO -0.09 0.01 0.62 0.00 -1.91 0.00 0.00 174.94 173.57 1t3k s ALA 25 N -0.30 -1.61 -0.14 1.50 0.00 0.06 -4.85 121.76 116.41 1t3k s ALA 25 Ca -0.01 1.23 -0.05 0.00 0.00 0.00 0.00 51.96 53.14 1t3k s ALA 25 Cb -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1t3k s ALA 25 CO -0.00 -0.35 0.02 0.42 0.00 0.00 0.00 175.76 175.85 1t3k s ILE 26 N -1.04 4.43 -0.07 0.00 1.01 -1.26 -1.63 121.20 122.64 1t3k s ILE 26 Ca -0.10 -0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.24 1t3k s ILE 26 Cb -0.01 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 1t3k s ILE 26 CO 0.08 0.52 0.33 -0.63 0.00 0.00 0.00 174.94 175.24 1t3k s ILE 27 N -0.05 5.20 -0.08 2.92 -1.09 0.63 -1.05 121.20 127.68 1t3k s ILE 27 Ca 0.04 0.64 -0.02 0.00 -2.23 0.00 0.00 60.65 59.08 1t3k s ILE 27 Cb -0.13 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1t3k s ILE 27 CO 0.02 0.54 0.03 -0.62 -1.23 0.00 0.00 174.94 173.67 1t3k s ASP 28 N -0.67 1.62 -0.10 3.58 -1.08 -0.26 -2.46 116.67 117.29 1t3k s ASP 28 Ca 0.20 -0.14 0.02 0.00 -0.52 0.00 0.00 52.55 52.12 1t3k s ASP 28 Cb -0.15 -0.35 0.01 0.00 -1.46 0.00 0.00 42.92 40.98 1t3k s ASP 28 CO 0.09 -0.23 -0.17 -0.69 0.52 0.00 0.00 175.17 174.69 1t3k s VAL 29 N 2.04 1.60 0.00 1.11 1.01 -1.24 -0.40 120.40 124.52 1t3k s VAL 29 Ca 0.04 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1t3k s VAL 29 Cb -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1t3k s VAL 29 CO -0.05 0.46 0.00 -1.14 0.00 0.00 0.00 175.10 174.37 1t3k n ARG 30 N 3.99 0.00 0.00 2.72 0.63 0.62 -4.90 116.66 119.72 1t3k n ARG 30 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 1t3k n ARG 30 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1t3k n ARG 30 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1t3k n ASP 31 N -1.63 0.00 -0.38 6.15 5.68 -1.26 -4.51 116.55 120.61 1t3k n ASP 31 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.37 1t3k n ASP 31 Cb 0.00 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.32 1t3k n ASP 31 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1t3k n GLU 32 N 0.00 1.49 0.29 0.11 1.02 -1.26 -3.98 120.64 118.31 1t3k n GLU 32 Ca 0.00 -0.74 0.19 0.00 -0.02 0.00 0.00 57.16 56.59 1t3k n GLU 32 Cb 0.00 -1.31 1.04 0.00 -0.02 0.00 0.00 31.44 31.15 1t3k n GLU 32 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1t3k h GLU 33 N 1.41 0.00 0.00 3.49 4.22 -2.00 -0.14 114.58 121.56 1t3k h GLU 33 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1t3k h GLU 33 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1t3k h GLU 33 CO 0.00 0.00 0.00 2.89 -2.18 0.00 0.00 179.01 179.72 1t3k n ARG 34 N -2.84 0.11 0.03 1.92 1.85 -1.26 -1.43 116.66 115.05 1t3k n ARG 34 Ca -0.03 0.30 -0.09 0.00 -1.00 0.00 0.00 57.85 57.04 1t3k n ARG 34 Cb 0.06 -1.70 -0.07 0.00 -1.05 0.00 0.00 32.46 29.71 1t3k n ARG 34 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1t3k h ASN 35 N 0.00 -0.14 1.15 2.89 4.21 -1.22 -3.30 115.58 119.17 1t3k h ASN 35 Ca 0.00 -0.35 0.00 0.00 1.21 0.00 0.00 56.30 57.16 1t3k h ASN 35 Cb 0.37 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 1t3k h ASN 35 CO 0.00 0.46 -0.34 0.00 -1.29 0.00 0.00 177.43 176.26 1t3k n TYR 36 N -4.86 0.74 -1.16 1.19 4.11 -1.22 -3.73 117.16 112.22 1t3k n TYR 36 Ca -0.06 0.21 -0.27 0.00 -0.00 0.00 0.00 57.90 57.78 1t3k n TYR 36 Cb 0.24 -0.79 0.12 0.00 -0.00 0.00 0.00 39.34 38.91 1t3k n TYR 36 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1t3k n ASP 37 N -2.19 5.45 0.00 9.48 -0.08 -0.51 -5.01 116.55 123.69 1t3k n ASP 37 Ca 0.04 -3.58 0.00 0.00 -1.51 0.00 0.00 54.79 49.74 1t3k n ASP 37 Cb 0.44 -0.90 0.00 0.00 2.34 0.00 0.00 41.12 43.00 1t3k n ASP 37 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1t3k n GLY 38 N -0.90 1.62 0.00 0.27 0.00 -1.24 -4.84 105.19 100.10 1t3k n GLY 38 Ca 0.57 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 0.90 0.00 0.00 1.61 1.44 -1.25 -4.43 115.22 113.49 1t3k n HIS 39 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1t3k n HIS 39 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1t3k n HIS 39 CO 0.00 0.00 0.00 1.51 -2.81 0.00 0.00 176.34 175.04 1t3k n ILE 40 N 0.00 0.00 -3.43 0.61 0.13 -0.43 -4.96 119.36 111.28 1t3k n ILE 40 Ca 0.00 0.00 -0.39 0.00 -1.10 0.00 0.00 62.75 61.26 1t3k n ILE 40 Cb 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 39.64 38.71 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 0.00 3.54 0.00 1.51 0.00 1.10 -4.37 121.76 123.54 1t3k s ALA 41 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1t3k s ALA 41 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1t3k s ALA 41 CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1t3k n GLY 42 N 4.83 2.74 1.16 0.00 0.00 -1.26 -4.34 105.19 108.33 1t3k n GLY 42 Ca -0.10 -1.94 0.13 0.00 0.00 0.00 0.00 46.02 44.11 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 0.00 -5.94 -4.67 1.61 7.64 -1.26 -4.68 113.62 106.31 1t3k n SER 43 Ca 0.00 0.73 -0.40 0.00 1.01 0.00 0.00 58.87 60.21 1t3k n SER 43 Cb 0.00 -3.73 -0.05 0.00 -1.01 0.00 0.00 64.21 59.42 1t3k n SER 43 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1t3k s LEU 44 N -5.94 4.18 -0.01 -3.43 1.43 -0.21 -4.94 118.68 109.76 1t3k s LEU 44 Ca 0.00 1.01 0.07 0.00 -1.03 0.00 0.00 54.13 54.18 1t3k s LEU 44 Cb 0.00 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.16 1t3k s LEU 44 CO 0.00 -0.29 -0.21 -1.38 0.23 0.00 0.00 176.35 174.70 1t3k s HIS 45 N 1.80 2.49 0.00 0.29 -3.43 -1.26 -1.10 115.29 114.07 1t3k s HIS 45 Ca 0.33 -0.32 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 1t3k s HIS 45 Cb -0.16 -1.52 0.00 0.00 -1.43 0.00 0.00 32.58 29.47 1t3k s HIS 45 CO 0.12 0.11 0.00 2.48 -2.00 0.00 0.00 174.74 175.45 1t3k n TYR 46 N 2.14 -0.00 -2.03 0.38 4.11 0.46 -4.98 117.16 117.24 1t3k n TYR 46 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 1t3k n TYR 46 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 1t3k n TYR 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1t3k n ALA 47 N -3.00 0.00 0.21 -3.48 0.00 -1.26 -0.27 120.51 112.71 1t3k n ALA 47 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t3k n ALA 47 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 1t3k n ALA 47 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t3k n SER 48 N 0.00 3.00 -0.03 0.00 7.64 -1.26 -3.26 113.62 119.71 1t3k n SER 48 Ca 0.00 -2.44 -0.10 0.00 1.01 0.00 0.00 58.87 57.34 1t3k n SER 48 Cb 0.00 -0.59 -0.14 0.00 -1.01 0.00 0.00 64.21 62.47 1t3k n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3k n GLY 49 N 0.14 -0.93 0.02 0.23 0.00 -1.26 -4.30 105.19 99.08 1t3k n GLY 49 Ca 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.08 1.55 0.03 1.61 3.41 -1.25 -4.69 113.62 111.21 1t3k n SER 50 Ca -0.21 -1.87 0.05 0.00 -0.26 0.00 0.00 58.87 56.59 1t3k n SER 50 Cb 1.06 -0.04 0.22 0.00 -0.26 0.00 0.00 64.21 65.19 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 -0.45 0.17 -0.04 7.33 -1.74 -1.20 -0.89 117.46 120.64 1t3k n PHE 51 Ca 0.01 0.08 0.00 0.00 -0.56 0.00 0.00 57.45 56.98 1t3k n PHE 51 Cb 0.34 -0.63 0.00 0.00 1.52 0.00 0.00 39.48 40.71 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 -1.67 1.17 -0.06 5.98 5.75 -1.26 -4.61 116.55 121.85 1t3k n ASP 52 Ca 0.01 -1.21 0.01 0.00 -0.01 0.00 0.00 54.79 53.60 1t3k n ASP 52 Cb 0.08 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1t3k n ASP 52 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1t3k n ASP 53 N -0.10 0.69 -0.75 -1.12 8.00 -0.33 -4.55 116.55 118.39 1t3k n ASP 53 Ca 0.00 -0.85 0.09 0.00 0.71 0.00 0.00 54.79 54.74 1t3k n ASP 53 Cb 0.06 0.49 0.24 0.00 -0.02 0.00 0.00 41.12 41.89 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 -0.43 2.68 0.07 -1.24 4.01 -0.07 -4.55 118.16 118.61 1t3k n LYS 54 Ca 0.01 -2.76 -0.11 0.00 -0.51 0.00 0.00 58.31 54.93 1t3k n LYS 54 Cb 0.05 -1.77 -0.01 0.00 -0.51 0.00 0.00 35.03 32.80 1t3k n LYS 54 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1t3k h ILE 55 N 1.53 1.41 0.00 -0.18 1.08 -1.81 -2.76 117.51 116.78 1t3k h ILE 55 Ca 0.00 -2.37 0.00 0.00 -0.39 0.00 0.00 64.86 62.10 1t3k h ILE 55 Cb 1.34 2.31 0.00 0.00 -3.07 0.00 0.00 36.82 37.41 1t3k h ILE 55 CO 0.18 0.70 -0.32 -1.20 -0.69 0.00 0.00 178.15 176.82 1t3k n SER 56 N -3.76 0.43 -0.02 1.72 7.64 -1.26 -2.53 113.62 115.85 1t3k n SER 56 Ca -0.05 0.15 -0.13 0.00 1.01 0.00 0.00 58.87 59.85 1t3k n SER 56 Cb 0.78 -0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.77 1t3k n SER 56 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1t3k h HIS 57 N 0.00 -0.05 0.00 1.43 6.17 -1.78 0.25 115.15 121.17 1t3k h HIS 57 Ca 0.00 -0.00 -0.10 0.00 0.71 0.00 0.00 60.37 60.98 1t3k h HIS 57 Cb 0.58 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.51 1t3k h HIS 57 CO 0.00 0.57 -0.45 -0.07 0.71 0.00 0.00 177.93 178.69 1t3k h LEU 58 N -0.74 0.00 -0.50 0.26 -0.00 -1.58 -2.36 115.31 110.39 1t3k h LEU 58 Ca -0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.71 1t3k h LEU 58 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 1t3k h LEU 58 CO 0.01 0.45 -0.53 0.58 -0.00 0.00 0.00 178.44 178.95 1t3k h VAL 59 N 0.00 1.31 0.00 1.22 2.07 -1.47 0.55 116.25 119.93 1t3k h VAL 59 Ca -0.00 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.73 1t3k h VAL 59 Cb 0.89 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1t3k h VAL 59 CO 0.06 0.55 -0.09 1.56 0.02 0.00 0.00 177.57 179.67 1t3k h GLN 60 N 0.47 0.00 0.00 1.57 4.20 -0.00 -3.36 115.11 117.99 1t3k h GLN 60 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1t3k h GLN 60 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1t3k h GLN 60 CO 0.10 0.09 0.00 0.09 -0.67 0.00 0.00 178.83 178.45 1t3k n ASN 61 N -3.33 0.00 -3.85 1.46 5.03 -0.93 -4.94 115.26 108.69 1t3k n ASN 61 Ca -0.01 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.16 1t3k n ASN 61 Cb 0.29 -0.31 -0.05 0.00 -1.02 0.00 0.00 39.78 38.68 1t3k n ASN 61 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1t3k n VAL 62 N -2.14 0.00 0.29 2.41 0.24 0.19 -4.73 118.33 114.58 1t3k n VAL 62 Ca 0.00 0.00 0.17 0.00 -2.04 0.00 0.00 64.34 62.47 1t3k n VAL 62 Cb 0.00 -0.33 0.92 0.00 -1.47 0.00 0.00 33.84 32.96 1t3k n VAL 62 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1t3k h LYS 63 N -0.58 0.00 -2.21 7.34 1.63 -1.85 -3.40 116.57 117.50 1t3k h LYS 63 Ca -0.40 0.00 -0.41 0.00 -0.85 0.00 0.00 60.65 58.99 1t3k h LYS 63 Cb 1.25 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.81 1t3k h LYS 63 CO 0.60 0.00 -0.47 -0.25 -3.45 0.00 0.00 179.45 175.88 1t3k n ASP 64 N -2.77 -5.66 0.00 4.20 8.00 0.32 -4.92 116.55 115.72 1t3k n ASP 64 Ca -0.02 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1t3k n ASP 64 Cb 0.16 -4.77 0.00 0.00 -0.02 0.00 0.00 41.12 36.49 1t3k n ASP 64 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1t3k n LYS 65 N -2.76 0.00 -3.16 -1.24 4.81 -0.76 -4.04 118.16 111.02 1t3k n LYS 65 Ca -0.23 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 56.91 1t3k n LYS 65 Cb 0.68 -0.31 -0.04 0.00 0.02 0.00 0.00 35.03 35.38 1t3k n LYS 65 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1t3k s ASP 66 N -1.01 6.55 -0.11 3.14 -4.77 -1.25 -3.04 116.67 116.19 1t3k s ASP 66 Ca 0.00 0.98 -0.18 0.00 -3.30 0.00 0.00 52.55 50.05 1t3k s ASP 66 Cb 0.00 -2.26 -0.04 0.00 -1.09 0.00 0.00 42.92 39.53 1t3k s ASP 66 CO 0.00 -0.24 0.46 0.28 0.70 0.00 0.00 175.17 176.37 1t3k s THR 67 N -2.11 5.18 -0.08 2.11 -1.32 0.92 0.26 115.64 120.59 1t3k s THR 67 Ca 0.49 0.93 0.04 0.00 -1.21 0.00 0.00 61.69 61.94 1t3k s THR 67 Cb -0.11 -3.80 -0.01 0.00 -1.51 0.00 0.00 72.50 67.08 1t3k s THR 67 CO 0.27 0.35 -0.23 -0.76 -2.21 0.00 0.00 174.62 172.04 1t3k s LEU 68 N 0.48 2.17 -0.27 9.08 1.02 -0.78 -0.77 118.68 129.62 1t3k s LEU 68 Ca 0.25 -0.50 -0.09 0.00 0.02 0.00 0.00 54.13 53.81 1t3k s LEU 68 Cb -0.15 -1.42 -0.04 0.00 0.02 0.00 0.00 46.19 44.60 1t3k s LEU 68 CO 0.10 0.20 0.14 0.68 0.02 0.00 0.00 176.35 177.50 1t3k s VAL 69 N 0.09 4.88 0.16 -1.59 -7.23 -0.64 -1.61 120.40 114.44 1t3k s VAL 69 Ca -0.11 -0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.10 1t3k s VAL 69 Cb -0.16 -3.32 -0.04 0.00 0.56 0.00 0.00 36.38 33.43 1t3k s VAL 69 CO 0.06 0.27 0.21 0.72 -0.31 0.00 0.00 175.10 176.05 1t3k s PHE 70 N 1.69 3.32 0.00 2.82 -0.71 -0.76 -0.27 117.98 124.07 1t3k s PHE 70 Ca 0.07 0.05 0.00 0.00 -1.04 0.00 0.00 56.93 56.01 1t3k s PHE 70 Cb -0.16 -1.59 0.00 0.00 -1.21 0.00 0.00 43.02 40.06 1t3k s PHE 70 CO 0.08 0.52 0.00 0.72 -1.34 0.00 0.00 175.22 175.20 1t3k n HIS 71 N -0.44 0.00 0.00 3.49 8.25 -1.03 -3.82 115.22 121.67 1t3k n HIS 71 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1t3k n HIS 71 Cb 0.54 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 -1.13 0.64 0.00 0.00 176.34 175.85 1t3k n SER 72 N 0.00 0.00 -2.85 0.41 3.41 -1.26 -4.40 113.62 108.93 1t3k n SER 72 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1t3k n SER 72 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1t3k n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t3k n ALA 73 N -1.09 -3.03 -2.28 7.33 0.00 -1.26 -2.69 120.51 117.49 1t3k n ALA 73 Ca 0.00 0.47 -0.03 0.00 0.00 0.00 0.00 53.44 53.88 1t3k n ALA 73 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 0.98 -1.54 -0.33 0.00 7.94 -1.26 -3.56 117.00 119.24 1t3k n LEU 74 Ca -0.03 -0.03 0.24 0.00 -1.11 0.00 0.00 56.01 55.09 1t3k n LEU 74 Cb 0.18 -0.83 0.54 0.00 0.53 0.00 0.00 43.42 43.84 1t3k n LEU 74 CO 0.31 0.02 1.23 0.77 -1.11 0.00 0.00 177.39 178.60 1t3k h SER 75 N -0.14 0.40 0.00 1.96 4.64 -1.77 -3.40 113.55 115.24 1t3k h SER 75 Ca -0.07 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1t3k h SER 75 Cb 1.05 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1t3k h SER 75 CO 0.08 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 1t3k n GLN 76 N -4.59 0.00 -0.68 4.77 0.00 -1.26 -4.90 117.38 110.73 1t3k n GLN 76 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.26 1t3k n GLN 76 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.17 1t3k n GLN 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1t3k n VAL 77 N 0.00 0.00 -0.01 -0.39 0.31 -1.26 -4.85 118.33 112.13 1t3k n VAL 77 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 1t3k n VAL 77 Cb 0.00 -0.12 -0.12 0.00 -0.91 0.00 0.00 33.84 32.69 1t3k n VAL 77 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1t3k h ARG 78 N 1.94 0.24 0.00 5.55 -0.00 -1.94 -3.42 114.38 116.75 1t3k h ARG 78 Ca 0.00 -0.30 0.00 0.00 -0.50 0.00 0.00 59.98 59.18 1t3k h ARG 78 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.06 1t3k h ARG 78 CO 0.00 1.05 0.00 0.41 0.00 0.00 0.00 179.97 181.43 1t3k n GLY 79 N 1.27 0.00 0.30 0.04 0.00 -1.26 0.60 105.19 106.13 1t3k n GLY 79 Ca -0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.92 1t3k n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t3k h PRO 80 N 0.00 0.80 -0.80 1.61 0.13 -1.98 -0.55 132.00 131.21 1t3k h PRO 80 Ca 0.00 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1t3k h PRO 80 Cb 0.00 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 30.91 1t3k h PRO 80 CO 0.00 0.53 0.53 1.15 -0.23 0.00 0.00 178.00 179.98 1t3k h THR 81 N 0.82 1.19 -0.96 1.56 2.02 1.66 0.07 112.91 119.29 1t3k h THR 81 Ca 0.36 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1t3k h THR 81 Cb 0.24 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.63 1t3k h THR 81 CO -0.20 0.19 0.63 0.00 0.37 0.00 0.00 175.52 176.51 1t3k h ALA 83 N 1.38 1.57 -0.30 0.00 0.00 -0.45 0.33 119.26 121.80 1t3k h ALA 83 Ca 0.37 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1t3k h ALA 83 Cb -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1t3k h ALA 83 CO -0.11 0.32 -0.02 0.00 0.00 0.00 0.00 179.25 179.44 1t3k h ARG 84 N 0.05 0.46 -0.11 0.00 2.47 0.83 0.46 114.38 118.54 1t3k h ARG 84 Ca 0.01 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 1t3k h ARG 84 Cb 0.43 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1t3k h ARG 84 CO 0.03 0.50 0.03 0.00 0.56 0.00 0.00 179.97 181.10 1t3k h ARG 85 N 0.44 0.16 0.00 0.04 2.47 0.29 0.31 114.38 118.09 1t3k h ARG 85 Ca 0.09 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1t3k h ARG 85 Cb 0.32 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1t3k h ARG 85 CO 0.01 0.30 -0.15 1.25 0.56 0.00 0.00 179.97 181.95 1t3k h LEU 86 N -0.01 0.00 -0.90 3.04 6.46 -0.80 0.24 115.31 123.34 1t3k h LEU 86 Ca 0.03 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.71 1t3k h LEU 86 Cb 0.21 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 1t3k h LEU 86 CO -0.00 0.15 -0.07 0.58 -0.62 0.00 0.00 178.44 178.48 1t3k h VAL 87 N 0.00 1.25 0.00 1.05 2.07 0.13 0.20 116.25 120.95 1t3k h VAL 87 Ca -0.00 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1t3k h VAL 87 Cb 0.38 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1t3k h VAL 87 CO 0.02 0.37 -0.09 -1.13 0.02 0.00 0.00 177.57 176.76 1t3k h ASN 88 N 0.68 0.00 0.30 0.57 -1.24 0.29 -0.03 115.58 116.15 1t3k h ASN 88 Ca 0.12 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 1t3k h ASN 88 Cb 0.52 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.57 1t3k h ASN 88 CO 0.03 0.09 -0.14 0.22 -1.29 0.00 0.00 177.43 176.33 1t3k h TYR 89 N 0.00 -0.37 -0.75 0.67 5.03 0.29 1.02 116.97 122.84 1t3k h TYR 89 Ca -0.00 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.38 1t3k h TYR 89 Cb 0.38 0.12 -0.07 0.00 1.55 0.00 0.00 36.73 38.72 1t3k h TYR 89 CO 0.00 -0.21 0.42 1.37 -1.32 0.00 0.00 178.16 178.41 1t3k h LEU 90 N -1.10 0.59 -1.02 2.82 8.10 -1.01 0.24 115.31 123.93 1t3k h LEU 90 Ca -0.04 0.04 -0.10 0.00 0.11 0.00 0.00 57.88 57.89 1t3k h LEU 90 Cb 0.33 -0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 1t3k h LEU 90 CO 0.07 0.35 -0.48 -0.78 -4.11 0.00 0.00 178.44 173.49 1t3k h ASP 91 N 0.72 0.00 -0.39 0.17 3.58 -1.07 1.48 116.42 120.91 1t3k h ASP 91 Ca 0.36 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.82 1t3k h ASP 91 Cb 0.31 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1t3k h ASP 91 CO -0.23 0.48 0.25 -0.33 -2.88 0.00 0.00 179.24 176.53 1t3k h GLU 92 N 0.00 0.49 -0.09 0.28 4.39 0.45 -3.38 114.58 116.72 1t3k h GLU 92 Ca -0.00 -0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.49 1t3k h GLU 92 Cb 0.87 -0.11 -0.23 0.00 -0.10 0.00 0.00 28.75 29.18 1t3k h GLU 92 CO 0.06 0.32 -0.55 1.17 -1.16 0.00 0.00 179.01 178.85 1t3k n LYS 93 N -4.84 0.88 -2.99 2.33 3.00 -0.85 -5.05 118.16 110.64 1t3k n LYS 93 Ca 0.01 -1.73 -0.02 0.00 -0.00 0.00 0.00 58.31 56.57 1t3k n LYS 93 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 35.03 35.05 1t3k n LYS 93 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1t3k n LYS 94 N -0.66 -1.86 -3.29 1.64 4.01 0.51 -5.01 118.16 113.50 1t3k n LYS 94 Ca -0.12 1.75 0.00 0.00 -0.51 0.00 0.00 58.31 59.43 1t3k n LYS 94 Cb 0.85 -3.17 0.00 0.00 -0.51 0.00 0.00 35.03 32.20 1t3k n LYS 94 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1t3k n GLU 95 N 0.89 -1.05 0.00 1.97 0.00 -1.14 -5.01 120.64 116.30 1t3k n GLU 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1t3k n GLU 95 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.73 1t3k n GLU 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1t3k n ASP 96 N 0.70 0.00 -3.15 -1.84 2.03 -1.26 -3.20 116.55 109.83 1t3k n ASP 96 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1t3k n ASP 96 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 1t3k n ASP 96 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1t3k n THR 97 N 0.00 0.00 0.00 5.18 -2.24 -1.26 -4.57 114.28 111.39 1t3k n THR 97 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1t3k n THR 97 Cb 0.00 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 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 -0.87 1.07 3.82 3.38 0.00 -1.26 -4.70 105.19 106.63 1t3k n GLY 98 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.47 4.82 0.18 -0.61 -5.25 -1.26 0.12 121.20 117.74 1t3k s ILE 99 Ca 0.00 1.08 -0.16 0.00 -0.99 0.00 0.00 60.65 60.58 1t3k s ILE 99 Cb 0.00 -3.83 0.14 0.00 2.95 0.00 0.00 42.46 41.72 1t3k s ILE 99 CO 0.00 0.52 1.65 0.50 -1.79 0.00 0.00 174.94 175.83 1t3k h LYS 100 N 4.45 -0.01 -2.43 0.37 3.11 0.37 -3.42 116.57 119.02 1t3k h LYS 100 Ca -0.50 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.27 1t3k h LYS 100 Cb 1.21 0.00 -0.25 0.00 -1.00 0.00 0.00 32.23 32.20 1t3k h LYS 100 CO 0.63 -0.00 -0.22 1.21 -2.81 0.00 0.00 179.45 178.26 1t3k s ASN 101 N -5.22 -0.63 -0.22 4.20 3.04 -1.26 -4.83 114.94 110.03 1t3k s ASN 101 Ca -0.14 1.11 -0.26 0.00 0.04 0.00 0.00 52.86 53.60 1t3k s ASN 101 Cb 0.16 1.09 -0.00 0.00 -1.54 0.00 0.00 41.25 40.96 1t3k s ASN 101 CO 0.72 -0.21 0.90 -0.51 -3.04 0.00 0.00 177.10 174.96 1t3k s ILE 102 N 1.71 4.79 0.29 -5.21 2.07 -1.26 -1.86 121.20 121.73 1t3k s ILE 102 Ca -0.08 1.74 0.02 0.00 -1.41 0.00 0.00 60.65 60.92 1t3k s ILE 102 Cb -0.08 -4.19 -0.05 0.00 0.13 0.00 0.00 42.46 38.27 1t3k s ILE 102 CO -0.15 -0.09 0.12 -0.04 -1.91 0.00 0.00 174.94 172.87 1t3k s MET 103 N 2.80 1.53 -0.08 3.50 -1.94 -0.64 -2.25 119.30 122.23 1t3k s MET 103 Ca 0.39 -1.86 -0.01 0.00 -1.71 0.00 0.00 55.69 52.50 1t3k s MET 103 Cb -0.16 -0.27 0.03 0.00 2.01 0.00 0.00 34.83 36.44 1t3k s MET 103 CO 0.08 -0.36 -0.03 0.96 -0.01 0.00 0.00 175.02 175.66 1t3k s ILE 104 N -3.63 0.61 0.23 2.53 -5.25 0.41 -1.82 121.20 114.28 1t3k s ILE 104 Ca 0.36 -0.05 -0.30 0.00 -0.99 0.00 0.00 60.65 59.67 1t3k s ILE 104 Cb 0.06 -0.70 -0.09 0.00 2.95 0.00 0.00 42.46 44.69 1t3k s ILE 104 CO 0.15 0.29 0.99 -1.48 -1.79 0.00 0.00 174.94 173.10 1t3k s LEU 105 N 1.69 4.60 -0.24 0.37 -0.00 -1.25 -2.22 118.68 121.62 1t3k s LEU 105 Ca 0.02 2.01 -0.10 0.00 -0.00 0.00 0.00 54.13 56.06 1t3k s LEU 105 Cb -0.13 -3.61 -0.17 0.00 -0.00 0.00 0.00 46.19 42.29 1t3k s LEU 105 CO -0.05 0.03 -0.12 -1.84 -0.00 0.00 0.00 176.35 174.38 1t3k n GLU 106 N 1.66 0.63 -0.01 1.48 0.28 -1.25 -4.19 120.64 119.23 1t3k n GLU 106 Ca -0.01 0.29 -0.16 0.00 -0.16 0.00 0.00 57.16 57.12 1t3k n GLU 106 Cb 0.47 -1.58 -0.12 0.00 1.43 0.00 0.00 31.44 31.64 1t3k n GLU 106 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1t3k h ARG 107 N -0.58 0.26 0.00 3.44 9.65 -1.94 -3.41 114.38 121.81 1t3k h ARG 107 Ca -0.57 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 58.02 1t3k h ARG 107 Cb 1.69 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 30.36 1t3k h ARG 107 CO -0.22 1.02 0.00 0.41 2.80 0.00 0.00 179.97 183.97 1t3k n GLY 108 N 1.13 0.50 1.16 2.80 0.00 -1.26 -1.55 105.19 107.97 1t3k n GLY 108 Ca -0.10 0.64 -0.02 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 0.00 0.07 1.61 3.72 -1.09 -4.93 117.46 116.83 1t3k n PHE 109 Ca 0.00 -0.47 -0.13 0.00 -0.05 0.00 0.00 57.45 56.80 1t3k n PHE 109 Cb 0.00 0.23 -0.07 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.39 -0.07 0.19 4.37 -1.07 -1.33 -1.16 115.58 116.91 1t3k h ASN 110 Ca -0.41 -0.02 -0.09 0.00 0.07 0.00 0.00 56.30 55.85 1t3k h ASN 110 Cb 1.59 0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 37.84 1t3k h ASN 110 CO -0.12 -0.02 -0.33 1.23 0.07 0.00 0.00 177.43 178.25 1t3k h GLY 111 N -0.10 0.23 0.87 9.14 0.00 -1.91 0.50 103.07 111.78 1t3k h GLY 111 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1t3k h GLY 111 CO 0.01 0.17 -0.25 -0.25 0.00 0.00 0.00 176.54 176.22 1t3k h TRP 112 N 0.18 -0.67 -0.08 5.60 2.91 -1.78 1.00 115.95 123.12 1t3k h TRP 112 Ca 0.02 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.00 1t3k h TRP 112 Cb 0.68 0.24 -0.00 0.00 -0.51 0.00 0.00 29.16 29.57 1t3k h TRP 112 CO 0.01 -0.39 -0.09 0.93 -1.03 0.00 0.00 178.44 177.87 1t3k h GLU 113 N -0.63 0.19 -0.03 2.65 5.08 -1.18 5.57 114.58 126.23 1t3k h GLU 113 Ca -0.04 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1t3k h GLU 113 Cb 0.52 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1t3k h GLU 113 CO 0.03 0.64 -0.00 0.00 -1.00 0.00 0.00 179.01 178.69 1t3k h ALA 114 N 0.55 0.03 0.00 3.43 0.00 -0.84 -3.37 119.26 119.05 1t3k h ALA 114 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1t3k h ALA 114 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1t3k h ALA 114 CO 0.02 -0.28 -0.93 -1.13 0.00 0.00 0.00 179.25 176.93 1t3k n SER 115 N -4.89 4.55 -0.01 0.00 3.41 0.30 -4.81 113.62 112.17 1t3k n SER 115 Ca -0.08 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.51 1t3k n SER 115 Cb 0.19 0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 64.44 1t3k n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t3k n GLY 116 N 2.90 -1.11 4.20 5.00 0.00 0.14 -4.97 105.19 111.35 1t3k n GLY 116 Ca 0.00 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1t3k n GLY 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1t3k n LYS 117 N -2.82 -0.89 -0.85 1.61 4.81 1.81 -4.78 118.16 117.05 1t3k n LYS 117 Ca -0.15 0.12 -0.09 0.00 -0.87 0.00 0.00 58.31 57.32 1t3k n LYS 117 Cb 0.90 -4.40 -0.07 0.00 0.02 0.00 0.00 35.03 31.48 1t3k n LYS 117 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1t3k n PRO 118 N -3.72 1.64 -3.41 1.64 -0.04 -1.24 -4.90 135.00 124.98 1t3k n PRO 118 Ca 0.10 -0.81 -0.36 0.00 -0.04 0.00 0.00 63.50 62.39 1t3k n PRO 118 Cb 0.42 -1.60 -0.06 0.00 -0.04 0.00 0.00 33.50 32.23 1t3k n PRO 118 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1t3k s VAL 119 N -0.03 4.91 0.04 0.52 0.11 -1.26 -4.96 120.40 119.73 1t3k s VAL 119 Ca 0.37 0.79 0.00 0.00 -2.93 0.00 0.00 61.98 60.21 1t3k s VAL 119 Cb 0.20 -3.73 0.00 0.00 -1.53 0.00 0.00 36.38 31.32 1t3k s VAL 119 CO -0.02 0.31 0.00 0.00 -3.33 0.00 0.00 175.10 172.06 1t3k n ARG 121 N -2.57 0.00 -1.39 0.00 0.63 -1.26 -5.02 116.66 107.05 1t3k n ARG 121 Ca -0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 1t3k n ARG 121 Cb 0.04 0.00 0.10 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 -2.79 0.00 -3.12 0.00 0.00 -1.26 -5.09 120.51 108.24 1t3k n ALA 123 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 1t3k n ALA 123 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 1t3k n ALA 123 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1t3k s GLU 124 N 0.00 1.56 0.71 0.00 -1.05 -1.26 -5.11 118.70 113.55 1t3k s GLU 124 Ca 0.00 -1.31 0.00 0.00 -0.15 0.00 0.00 54.97 53.51 1t3k s GLU 124 Cb 0.00 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 1t3k s GLU 124 CO 0.00 -0.65 0.00 1.33 0.95 0.00 0.00 175.26 176.89 1t3k n VAL 125 N -0.39 0.00 -0.93 1.83 0.24 -1.26 -3.14 118.33 114.68 1t3k n VAL 125 Ca -0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.15 1t3k n VAL 125 Cb 0.62 -0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.84 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 -1.78 1.75 -3.73 7.34 -0.04 -1.26 -4.84 135.00 132.43 1t3k n PRO 126 Ca 0.00 -1.20 -0.27 0.00 -0.04 0.00 0.00 63.50 61.99 1t3k n PRO 126 Cb 0.17 -1.63 0.01 0.00 -0.04 0.00 0.00 33.50 32.00 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 -2.97 0.00 0.00 0.00 4.01 -1.09 0.31 118.16 118.43 1t3k n LYS 128 Ca -0.21 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.56 1t3k n LYS 128 Cb 0.54 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 35.04 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 0.00 -1.42 -7.12 0.72 0.00 -1.82 -3.40 103.07 90.03 1t3k h GLY 129 Ca 0.00 0.64 -0.50 0.00 0.00 0.00 0.00 47.33 47.48 1t3k h GLY 129 CO 0.00 -0.51 -0.77 0.99 0.00 0.00 0.00 176.54 176.25 1t3k s ASP 130 N -2.92 2.42 -0.30 0.19 1.01 -1.26 -4.69 116.67 111.12 1t3k s ASP 130 Ca -0.03 -0.52 -0.26 0.00 0.71 0.00 0.00 52.55 52.45 1t3k s ASP 130 Cb 0.01 -0.61 0.04 0.00 1.01 0.00 0.00 42.92 43.37 1t3k s ASP 130 CO 0.10 -0.24 0.44 0.00 0.21 0.00 0.00 175.17 175.68