#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3k s ALA 2 N 0.00 -1.53 0.03 -5.12 0.00 -1.26 -5.16 121.76 108.72 1t3k s ALA 2 Ca 0.00 1.74 -0.26 0.00 0.00 0.00 0.00 51.96 53.44 1t3k s ALA 2 Cb 0.00 -1.58 0.09 0.00 0.00 0.00 0.00 23.12 21.63 1t3k s ALA 2 CO 0.00 -0.91 1.19 0.00 0.00 0.00 0.00 175.76 176.04 1t3k n MET 3 N 5.41 0.29 -2.93 0.00 -0.00 -1.26 -5.08 117.12 113.55 1t3k n MET 3 Ca -0.08 -0.93 -0.05 0.00 -0.00 0.00 0.00 57.70 56.63 1t3k n MET 3 Cb 0.49 1.43 0.01 0.00 -0.00 0.00 0.00 33.22 35.15 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 -0.94 -2.82 -3.40 3.17 0.00 -1.26 -5.03 120.51 110.23 1t3k n ALA 4 Ca -0.11 0.73 -0.20 0.00 0.00 0.00 0.00 53.44 53.86 1t3k n ALA 4 Cb 0.57 -2.92 -0.09 0.00 0.00 0.00 0.00 19.45 17.00 1t3k n ALA 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1t3k s ARG 5 N -2.76 0.51 0.48 0.00 6.06 -1.26 -5.01 118.95 116.97 1t3k s ARG 5 Ca 0.15 -0.73 0.00 0.00 -2.50 0.00 0.00 55.73 52.66 1t3k s ARG 5 Cb -0.04 -0.84 0.00 0.00 0.06 0.00 0.00 34.95 34.13 1t3k s ARG 5 CO 0.76 -1.14 0.00 0.43 -2.50 0.00 0.00 175.30 172.85 1t3k n SER 6 N 4.56 -8.00 -4.43 -2.12 7.64 -1.26 -4.64 113.62 105.37 1t3k n SER 6 Ca 0.07 1.14 -0.38 0.00 1.01 0.00 0.00 58.87 60.71 1t3k n SER 6 Cb 0.44 -4.34 -0.08 0.00 -1.01 0.00 0.00 64.21 59.22 1t3k n SER 6 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1t3k n ILE 7 N -0.89 -0.51 -4.08 0.44 -0.00 0.45 -4.89 119.36 109.88 1t3k n ILE 7 Ca 0.00 -0.20 -0.11 0.00 -0.00 0.00 0.00 62.75 62.44 1t3k n ILE 7 Cb 0.00 -0.81 -0.07 0.00 -0.00 0.00 0.00 39.64 38.76 1t3k n ILE 7 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1t3k s SER 8 N -3.70 0.13 0.41 4.38 1.04 -0.99 -4.92 113.70 110.05 1t3k s SER 8 Ca 0.50 -1.17 -0.11 0.00 0.48 0.00 0.00 55.95 55.65 1t3k s SER 8 Cb -0.29 0.52 -0.07 0.00 0.10 0.00 0.00 66.02 66.28 1t3k s SER 8 CO 1.01 -1.05 0.79 -0.72 0.98 0.00 0.00 173.24 174.25 1t3k s TYR 9 N -3.95 3.46 0.23 5.02 -0.85 -1.24 -0.56 117.35 119.46 1t3k s TYR 9 Ca 0.29 1.11 0.06 0.00 -0.52 0.00 0.00 57.07 58.01 1t3k s TYR 9 Cb 0.02 -2.49 -0.05 0.00 0.38 0.00 0.00 41.96 39.82 1t3k s TYR 9 CO 0.12 -0.13 -0.09 0.42 -1.52 0.00 0.00 175.55 174.35 1t3k s ILE 10 N -2.38 1.55 0.52 -3.49 -1.09 -1.06 -4.18 121.20 111.07 1t3k s ILE 10 Ca 0.52 -2.14 0.04 0.00 -2.23 0.00 0.00 60.65 56.84 1t3k s ILE 10 Cb -0.10 -2.20 0.04 0.00 -1.58 0.00 0.00 42.46 38.61 1t3k s ILE 10 CO 0.30 -0.47 0.72 0.28 -1.23 0.00 0.00 174.94 174.54 1t3k s THR 11 N -3.09 2.71 0.10 2.92 -1.32 -1.26 -4.22 115.64 111.48 1t3k s THR 11 Ca 0.25 -0.81 -0.24 0.00 -1.21 0.00 0.00 61.69 59.69 1t3k s THR 11 Cb 0.02 -2.91 -0.11 0.00 -1.51 0.00 0.00 72.50 68.00 1t3k s THR 11 CO 0.08 0.00 1.70 0.77 -2.21 0.00 0.00 174.62 174.96 1t3k h SER 12 N 0.24 -0.26 -0.47 8.08 4.64 -2.02 -2.11 113.55 121.66 1t3k h SER 12 Ca -0.40 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 1t3k h SER 12 Cb 1.29 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.45 1t3k h SER 12 CO 0.48 -0.14 0.25 0.71 -0.87 0.00 0.00 176.83 177.26 1t3k h THR 13 N -0.18 1.16 0.00 2.95 1.35 -2.02 0.19 112.91 116.37 1t3k h THR 13 Ca 0.02 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1t3k h THR 13 Cb 0.20 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 1t3k h THR 13 CO -0.06 0.19 0.17 0.06 -0.25 0.00 0.00 175.52 175.63 1t3k h GLN 14 N 0.70 0.00 0.00 4.72 -0.00 -1.77 0.95 115.11 119.71 1t3k h GLN 14 Ca 0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.77 1t3k h GLN 14 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.53 1t3k h GLN 14 CO -0.03 0.00 -0.28 1.25 -0.00 0.00 0.00 178.83 179.78 1t3k h LEU 15 N 0.00 0.00 0.24 0.06 6.46 -0.36 -2.77 115.31 118.93 1t3k h LEU 15 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1t3k h LEU 15 Cb 0.34 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 1t3k h LEU 15 CO 0.00 0.28 -0.11 0.25 -0.62 0.00 0.00 178.44 178.23 1t3k h LEU 16 N 0.00 -0.27 -3.72 2.25 6.46 0.88 -3.31 115.31 117.60 1t3k h LEU 16 Ca -0.00 -0.22 -0.20 0.00 -0.12 0.00 0.00 57.88 57.34 1t3k h LEU 16 Cb 0.93 0.07 -0.12 0.00 -0.73 0.00 0.00 40.66 40.81 1t3k h LEU 16 CO 0.04 0.11 0.25 -0.81 -0.62 0.00 0.00 178.44 177.40 1t3k n PRO 17 N -5.07 3.81 0.00 5.25 -0.04 -1.24 -4.54 135.00 133.16 1t3k n PRO 17 Ca -0.09 -3.11 0.08 0.00 -0.04 0.00 0.00 63.50 60.35 1t3k n PRO 17 Cb 0.25 -2.22 0.43 0.00 -0.04 0.00 0.00 33.50 31.92 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 -0.11 0.00 0.00 1.53 -0.00 -1.05 -4.85 117.00 112.52 1t3k n LEU 18 Ca 0.40 0.28 0.00 0.00 -0.00 0.00 0.00 56.01 56.69 1t3k n LEU 18 Cb 1.37 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 44.51 1t3k n LEU 18 CO 0.43 -0.12 0.00 1.41 -0.00 0.00 0.00 177.39 179.10 1t3k n HIS 19 N -1.28 0.00 -3.98 1.47 8.25 -1.26 -4.37 115.22 114.04 1t3k n HIS 19 Ca 0.08 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.25 1t3k n HIS 19 Cb 0.14 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.24 1t3k n HIS 19 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1t3k n ARG 20 N -2.00 -4.10 -1.78 -0.41 0.00 -1.26 -4.88 116.66 102.22 1t3k n ARG 20 Ca 0.00 0.48 -0.41 0.00 -0.00 0.00 0.00 57.85 57.92 1t3k n ARG 20 Cb 0.00 -5.04 -0.01 0.00 -0.00 0.00 0.00 32.46 27.41 1t3k n ARG 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1t3k s ARG 21 N -6.59 4.11 0.62 2.89 3.52 -1.26 -4.85 118.95 117.39 1t3k s ARG 21 Ca 0.39 2.59 0.29 0.00 -0.13 0.00 0.00 55.73 58.86 1t3k s ARG 21 Cb -0.20 -3.00 1.52 0.00 -1.56 0.00 0.00 34.95 31.71 1t3k s ARG 21 CO 0.87 -0.61 1.90 -1.35 -0.81 0.00 0.00 175.30 175.31 1t3k h PRO 22 N 4.20 0.00 -3.37 5.12 0.11 -1.99 -3.23 132.00 132.83 1t3k h PRO 22 Ca -0.48 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.30 1t3k h PRO 22 Cb 1.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.35 1t3k h PRO 22 CO 0.74 0.00 2.26 0.09 -0.21 0.00 0.00 178.00 180.88 1t3k n ASN 23 N -3.37 4.43 -3.94 -2.05 4.13 -1.26 -4.83 115.26 108.37 1t3k n ASN 23 Ca 0.04 -2.27 -0.20 0.00 1.68 0.00 0.00 54.58 53.83 1t3k n ASN 23 Cb 0.54 -1.03 -0.16 0.00 -1.54 0.00 0.00 39.78 37.60 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1t3k s ILE 24 N 3.35 0.61 -0.03 2.41 -1.09 -1.22 0.12 121.20 125.35 1t3k s ILE 24 Ca 0.37 -0.22 -0.27 0.00 -2.23 0.00 0.00 60.65 58.29 1t3k s ILE 24 Cb 0.10 -0.59 0.06 0.00 -1.58 0.00 0.00 42.46 40.45 1t3k s ILE 24 CO -0.03 0.22 0.60 0.00 -1.23 0.00 0.00 174.94 174.50 1t3k s ALA 25 N 0.55 -1.56 -0.23 9.38 0.00 0.11 -4.92 121.76 125.09 1t3k s ALA 25 Ca -0.08 1.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.88 1t3k s ALA 25 Cb -0.11 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1t3k s ALA 25 CO 0.00 -0.37 0.08 0.42 0.00 0.00 0.00 175.76 175.90 1t3k s ILE 26 N -1.35 4.60 -0.02 0.00 -1.09 -1.26 -1.51 121.20 120.56 1t3k s ILE 26 Ca -0.11 -0.08 -0.10 0.00 -2.23 0.00 0.00 60.65 58.12 1t3k s ILE 26 Cb -0.01 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.69 1t3k s ILE 26 CO 0.08 0.37 0.31 0.27 -1.23 0.00 0.00 174.94 174.73 1t3k s ILE 27 N 1.23 5.21 -0.13 2.92 -0.00 0.49 -0.94 121.20 129.99 1t3k s ILE 27 Ca 0.05 0.49 -0.01 0.00 -0.00 0.00 0.00 60.65 61.18 1t3k s ILE 27 Cb -0.14 -3.59 0.04 0.00 -0.00 0.00 0.00 42.46 38.76 1t3k s ILE 27 CO 0.04 0.50 -0.02 -1.81 -0.00 0.00 0.00 174.94 173.65 1t3k s ASP 28 N -1.30 2.29 -1.24 4.36 1.11 0.78 -1.51 116.67 121.16 1t3k s ASP 28 Ca 0.24 -0.42 -0.05 0.00 0.18 0.00 0.00 52.55 52.49 1t3k s ASP 28 Cb -0.14 -0.68 0.11 0.00 1.07 0.00 0.00 42.92 43.27 1t3k s ASP 28 CO 0.12 -0.20 2.44 1.33 1.18 0.00 0.00 175.17 180.04 1t3k n VAL 29 N 5.01 5.05 -3.74 -1.27 0.24 -1.26 -0.76 118.33 121.60 1t3k n VAL 29 Ca -0.10 -4.16 -0.16 0.00 -2.04 0.00 0.00 64.34 57.88 1t3k n VAL 29 Cb 0.49 -2.04 -0.16 0.00 -1.47 0.00 0.00 33.84 30.66 1t3k n VAL 29 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1t3k s ARG 30 N -1.15 -0.04 -0.10 7.34 1.81 0.29 -4.69 118.95 122.42 1t3k s ARG 30 Ca 0.55 0.25 0.01 0.00 -1.72 0.00 0.00 55.73 54.81 1t3k s ARG 30 Cb 0.20 -0.31 -0.07 0.00 -0.45 0.00 0.00 34.95 34.33 1t3k s ARG 30 CO -0.11 -0.21 -0.09 -0.25 -0.68 0.00 0.00 175.30 173.97 1t3k n ASP 31 N 4.46 3.20 0.12 0.23 9.92 -1.22 -2.23 116.55 131.02 1t3k n ASP 31 Ca -0.22 -0.05 0.20 0.00 -0.53 0.00 0.00 54.79 54.18 1t3k n ASP 31 Cb 0.50 -0.16 0.75 0.00 -0.64 0.00 0.00 41.12 41.57 1t3k n ASP 31 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1t3k h GLU 32 N -0.00 0.00 0.00 -1.24 4.81 -1.95 0.79 114.58 116.99 1t3k h GLU 32 Ca -0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1t3k h GLU 32 Cb 1.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1t3k h GLU 32 CO -0.04 0.00 0.00 1.49 -0.73 0.00 0.00 179.01 179.73 1t3k h GLU 33 N 0.00 0.00 0.00 1.92 4.22 -2.00 -1.71 114.58 117.02 1t3k h GLU 33 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.61 1t3k h GLU 33 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1t3k h GLU 33 CO -0.00 0.00 0.00 -2.13 -2.18 0.00 0.00 179.01 174.70 1t3k n ARG 34 N -2.51 0.14 0.19 1.92 0.63 0.28 -1.77 116.66 115.54 1t3k n ARG 34 Ca 0.00 0.36 -0.14 0.00 -0.92 0.00 0.00 57.85 57.15 1t3k n ARG 34 Cb 0.17 -1.75 -0.08 0.00 0.45 0.00 0.00 32.46 31.24 1t3k n ARG 34 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1t3k h ASN 35 N 0.00 -0.42 0.04 6.15 -0.26 -1.47 -3.32 115.58 116.30 1t3k h ASN 35 Ca 0.00 -0.12 -0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1t3k h ASN 35 Cb 0.34 0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 1t3k h ASN 35 CO 0.00 -0.09 -0.02 1.88 -1.06 0.00 0.00 177.43 178.14 1t3k h TYR 36 N -0.77 -0.05 0.00 1.19 0.05 -1.75 -3.47 116.97 112.16 1t3k h TYR 36 Ca -0.05 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1t3k h TYR 36 Cb 0.52 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1t3k h TYR 36 CO 0.01 0.60 0.00 -3.47 -1.05 0.00 0.00 178.16 174.25 1t3k n ASP 37 N -4.77 0.00 0.00 3.88 -0.08 -0.73 -5.02 116.55 109.83 1t3k n ASP 37 Ca -0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1t3k n ASP 37 Cb 0.33 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.79 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 0.00 0.42 3.00 0.27 0.00 -1.26 -4.83 105.19 102.78 1t3k n GLY 38 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.54 1t3k n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t3k s HIS 39 N 0.00 -0.62 0.00 1.61 3.76 -1.19 -4.93 115.29 113.92 1t3k s HIS 39 Ca 0.00 0.23 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 1t3k s HIS 39 Cb 0.00 0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.80 1t3k s HIS 39 CO 0.00 -0.39 0.00 0.44 -0.85 0.00 0.00 174.74 173.94 1t3k n ILE 40 N 4.48 0.00 -3.91 0.60 -5.35 -1.26 0.56 119.36 114.48 1t3k n ILE 40 Ca 0.08 0.12 -0.11 0.00 -0.27 0.00 0.00 62.75 62.57 1t3k n ILE 40 Cb 0.60 -1.07 -0.12 0.00 -1.74 0.00 0.00 39.64 37.31 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t3k s ALA 41 N -2.39 -0.09 0.00 -1.28 0.00 0.28 0.17 121.76 118.44 1t3k s ALA 41 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1t3k s ALA 41 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1t3k s ALA 41 CO 0.00 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1t3k n GLY 42 N 2.11 0.00 0.88 0.00 0.00 0.41 -2.68 105.19 105.92 1t3k n GLY 42 Ca -0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -5.02 -3.95 1.61 3.41 -1.26 -3.72 113.62 104.69 1t3k n SER 43 Ca 0.00 0.38 -0.29 0.00 -0.26 0.00 0.00 58.87 58.71 1t3k n SER 43 Cb 0.00 -2.87 -0.17 0.00 -0.26 0.00 0.00 64.21 60.91 1t3k n SER 43 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1t3k s LEU 44 N -4.74 1.53 -0.12 1.04 2.96 -0.11 -4.73 118.68 114.50 1t3k s LEU 44 Ca 0.00 -0.47 -0.15 0.00 -0.22 0.00 0.00 54.13 53.28 1t3k s LEU 44 Cb 0.00 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.63 1t3k s LEU 44 CO 0.00 -0.11 0.37 -1.38 -1.32 0.00 0.00 176.35 173.91 1t3k s HIS 45 N 1.59 3.52 0.04 5.38 -3.43 -1.26 -0.16 115.29 120.98 1t3k s HIS 45 Ca 0.04 0.75 -0.16 0.00 -0.80 0.00 0.00 55.06 54.89 1t3k s HIS 45 Cb -0.13 -2.39 0.03 0.00 -1.43 0.00 0.00 32.58 28.65 1t3k s HIS 45 CO -0.09 0.29 0.37 1.52 -2.00 0.00 0.00 174.74 174.83 1t3k s TYR 46 N 0.24 -0.20 0.86 0.38 1.13 0.06 -4.88 117.35 114.95 1t3k s TYR 46 Ca 0.21 0.11 -0.14 0.00 -1.41 0.00 0.00 57.07 55.84 1t3k s TYR 46 Cb -0.14 0.17 0.21 0.00 -1.10 0.00 0.00 41.96 41.09 1t3k s TYR 46 CO 0.07 -0.54 0.83 0.00 -2.51 0.00 0.00 175.55 173.40 1t3k n ALA 47 N 0.53 -2.23 -2.06 9.51 0.00 -1.26 0.11 120.51 125.11 1t3k n ALA 47 Ca -0.19 -1.20 -0.01 0.00 0.00 0.00 0.00 53.44 52.04 1t3k n ALA 47 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 -4.22 -0.11 0.13 0.00 3.41 -1.26 -4.71 113.62 106.86 1t3k n SER 48 Ca 0.11 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1t3k n SER 48 Cb 0.43 -0.01 0.09 0.00 -0.26 0.00 0.00 64.21 64.46 1t3k n SER 48 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1t3k h GLY 49 N 0.12 0.00 0.00 5.00 0.00 -1.98 -3.31 103.07 102.90 1t3k h GLY 49 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 1t3k h GLY 49 CO -0.05 0.00 -0.84 0.23 0.00 0.00 0.00 176.54 175.87 1t3k h SER 50 N 0.00 0.00 -1.67 0.19 0.87 -2.03 -3.47 113.55 107.44 1t3k h SER 50 Ca -0.01 -0.65 -0.20 0.00 -1.23 0.00 0.00 61.79 59.70 1t3k h SER 50 Cb 1.31 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.20 1t3k h SER 50 CO 0.08 1.32 -0.18 2.22 -0.53 0.00 0.00 176.83 179.74 1t3k n PHE 51 N -4.49 -0.59 -1.87 2.24 1.16 -1.25 -4.47 117.46 108.18 1t3k n PHE 51 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.33 1t3k n PHE 51 Cb 0.61 -2.16 0.00 0.00 -1.61 0.00 0.00 39.48 36.32 1t3k n PHE 51 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1t3k n ASP 52 N -0.18 0.00 -0.00 5.98 9.92 -1.26 -4.85 116.55 126.16 1t3k n ASP 52 Ca -0.10 -1.20 0.02 0.00 -0.53 0.00 0.00 54.79 52.99 1t3k n ASP 52 Cb 0.33 -0.04 -0.03 0.00 -0.64 0.00 0.00 41.12 40.74 1t3k n ASP 52 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1t3k n ASP 53 N 0.00 2.55 -0.16 -2.24 -0.08 -1.26 -4.62 116.55 110.74 1t3k n ASP 53 Ca 0.00 -0.23 0.01 0.00 -1.51 0.00 0.00 54.79 53.06 1t3k n ASP 53 Cb 0.54 1.12 0.04 0.00 2.34 0.00 0.00 41.12 45.15 1t3k n ASP 53 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1t3k n LYS 54 N -1.43 2.33 0.09 -0.67 4.76 -1.26 -4.50 118.16 117.47 1t3k n LYS 54 Ca -0.00 -1.47 -0.22 0.00 -2.87 0.00 0.00 58.31 53.75 1t3k n LYS 54 Cb 0.09 -1.07 -0.15 0.00 -1.84 0.00 0.00 35.03 32.06 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 0.54 1.41 -0.00 -0.18 1.08 -1.89 -3.03 117.51 115.44 1t3k h ILE 55 Ca 0.00 -2.56 0.00 0.00 -0.39 0.00 0.00 64.86 61.91 1t3k h ILE 55 Cb 0.48 3.07 0.00 0.00 -3.07 0.00 0.00 36.82 37.31 1t3k h ILE 55 CO 0.00 0.75 -0.11 -1.20 -0.69 0.00 0.00 178.15 176.90 1t3k n SER 56 N -3.96 0.12 -0.02 1.72 7.64 -1.26 -2.55 113.62 115.31 1t3k n SER 56 Ca -0.15 0.28 -0.13 0.00 1.01 0.00 0.00 58.87 59.89 1t3k n SER 56 Cb 0.93 -0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.02 -0.04 0.00 1.43 6.17 -1.78 -1.73 115.15 119.22 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 0.49 0.01 -0.00 0.00 2.52 0.00 0.00 27.41 30.42 1t3k h HIS 57 CO 0.00 0.61 -0.15 1.25 0.71 0.00 0.00 177.93 180.35 1t3k h LEU 58 N -0.74 0.00 -0.46 0.26 5.85 -1.56 -2.22 115.31 116.43 1t3k h LEU 58 Ca -0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1t3k h LEU 58 Cb 0.66 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1t3k h LEU 58 CO 0.01 0.15 -0.56 0.58 -0.34 0.00 0.00 178.44 178.28 1t3k h VAL 59 N 0.00 1.31 0.00 1.05 2.07 -1.46 1.03 116.25 120.25 1t3k h VAL 59 Ca -0.00 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.72 1t3k h VAL 59 Cb 0.75 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1t3k h VAL 59 CO 0.02 0.57 0.00 1.56 0.02 0.00 0.00 177.57 179.73 1t3k h GLN 60 N 0.47 0.00 -1.14 1.57 1.08 -0.99 -3.35 115.11 112.75 1t3k h GLN 60 Ca 0.01 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.83 1t3k h GLN 60 Cb 1.12 0.00 -0.33 0.00 -0.05 0.00 0.00 27.48 28.22 1t3k h GLN 60 CO 0.11 0.00 -0.99 0.09 -0.95 0.00 0.00 178.83 177.09 1t3k n ASN 61 N -2.78 0.24 -0.34 1.46 3.02 -0.87 -4.96 115.26 111.04 1t3k n ASN 61 Ca 0.04 -2.95 0.22 0.00 -0.03 0.00 0.00 54.58 51.86 1t3k n ASN 61 Cb 0.46 -0.02 0.47 0.00 -0.61 0.00 0.00 39.78 40.08 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 2.06 0.51 -4.22 2.41 -1.51 0.96 -3.44 116.25 113.02 1t3k h VAL 62 Ca -0.04 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1t3k h VAL 62 Cb 1.10 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 1t3k h VAL 62 CO 0.38 0.08 -0.19 1.17 -1.23 0.00 0.00 177.57 177.78 1t3k n LYS 63 N -4.73 -1.10 -0.25 5.19 3.00 -1.26 -4.55 118.16 114.46 1t3k n LYS 63 Ca 0.27 1.26 -0.01 0.00 -0.00 0.00 0.00 58.31 59.83 1t3k n LYS 63 Cb 0.86 -3.72 0.02 0.00 0.00 0.00 0.00 35.03 32.19 1t3k n LYS 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1t3k n ASP 64 N -0.69 -0.43 -4.47 3.14 8.00 -1.26 -2.43 116.55 118.41 1t3k n ASP 64 Ca 0.05 1.11 -0.44 0.00 0.71 0.00 0.00 54.79 56.22 1t3k n ASP 64 Cb 0.32 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 1t3k n ASP 64 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1t3k s LYS 65 N -5.59 3.92 -0.26 -1.24 2.36 -1.26 -4.26 119.74 113.41 1t3k s LYS 65 Ca -0.09 -2.25 -0.08 0.00 -2.55 0.00 0.00 55.97 51.00 1t3k s LYS 65 Cb 0.13 -5.05 0.12 0.00 -1.05 0.00 0.00 37.83 31.97 1t3k s LYS 65 CO 0.45 -1.81 0.54 -0.51 1.55 0.00 0.00 175.35 175.58 1t3k s ASP 66 N 3.22 -0.75 -0.11 1.43 1.11 -1.02 -4.63 116.67 115.93 1t3k s ASP 66 Ca 0.40 1.26 0.04 0.00 0.18 0.00 0.00 52.55 54.43 1t3k s ASP 66 Cb -0.03 1.88 0.00 0.00 1.07 0.00 0.00 42.92 45.84 1t3k s ASP 66 CO -0.03 -0.23 -0.23 0.42 1.18 0.00 0.00 175.17 176.28 1t3k s THR 67 N 2.77 2.09 0.01 -1.27 -4.23 0.32 0.12 115.64 115.45 1t3k s THR 67 Ca -0.02 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.52 1t3k s THR 67 Cb -0.12 -1.80 -0.01 0.00 1.34 0.00 0.00 72.50 71.91 1t3k s THR 67 CO -0.16 0.56 -0.11 -1.48 -0.54 0.00 0.00 174.62 172.88 1t3k s LEU 68 N 0.39 2.07 -0.12 4.79 -0.00 -0.18 -0.71 118.68 124.91 1t3k s LEU 68 Ca -0.17 -0.27 -0.02 0.00 -0.00 0.00 0.00 54.13 53.67 1t3k s LEU 68 Cb -0.18 -0.52 -0.03 0.00 -0.00 0.00 0.00 46.19 45.46 1t3k s LEU 68 CO 0.08 0.09 -0.06 0.68 -0.00 0.00 0.00 176.35 177.14 1t3k s VAL 69 N -0.44 3.76 0.15 1.48 -7.23 -0.57 -2.05 120.40 115.50 1t3k s VAL 69 Ca 0.03 -0.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.80 1t3k s VAL 69 Cb -0.05 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1t3k s VAL 69 CO 0.00 0.53 0.25 0.72 -0.31 0.00 0.00 175.10 176.29 1t3k s PHE 70 N -0.03 3.41 0.00 2.82 -0.12 -0.60 -0.38 117.98 123.09 1t3k s PHE 70 Ca 0.00 0.09 0.00 0.00 -0.05 0.00 0.00 56.93 56.97 1t3k s PHE 70 Cb -0.13 -1.63 0.00 0.00 -0.63 0.00 0.00 43.02 40.63 1t3k s PHE 70 CO 0.03 0.52 0.00 0.72 -0.05 0.00 0.00 175.22 176.43 1t3k n HIS 71 N -0.51 0.00 0.00 3.49 8.25 -0.57 -4.13 115.22 121.75 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 0.45 0.64 0.00 0.00 176.34 177.43 1t3k n SER 72 N 3.56 0.00 0.00 0.41 2.88 -1.26 -4.94 113.62 114.27 1t3k n SER 72 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1t3k n SER 72 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1t3k n SER 72 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3k n ALA 73 N 0.00 0.00 -3.09 -1.46 0.00 -1.22 0.94 120.51 115.68 1t3k n ALA 73 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1t3k n ALA 73 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 4.05 -3.79 0.00 0.00 -1.25 -4.34 117.00 111.68 1t3k n LEU 74 Ca 0.00 -5.57 0.00 0.00 0.00 0.00 0.00 56.01 50.44 1t3k n LEU 74 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 43.42 42.91 1t3k n LEU 74 CO 0.00 2.27 0.64 -0.24 0.00 0.00 0.00 177.39 180.06 1t3k n SER 75 N 0.11 -1.29 -3.92 1.96 2.88 -1.26 -1.99 113.62 110.11 1t3k n SER 75 Ca 0.30 -0.78 -0.32 0.00 -1.33 0.00 0.00 58.87 56.74 1t3k n SER 75 Cb 0.41 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1t3k n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3k n GLN 76 N 3.65 -1.79 -1.23 -1.46 0.00 -1.26 0.13 117.38 115.43 1t3k n GLN 76 Ca 0.00 0.33 -0.10 0.00 0.00 0.00 0.00 57.00 57.23 1t3k n GLN 76 Cb 0.32 -3.92 -0.04 0.00 0.00 0.00 0.00 30.24 26.60 1t3k n GLN 76 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1t3k n VAL 77 N -4.47 0.00 0.16 -0.39 0.24 -0.84 -4.77 118.33 108.26 1t3k n VAL 77 Ca -0.20 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.14 1t3k n VAL 77 Cb 0.63 -0.99 0.15 0.00 -1.47 0.00 0.00 33.84 32.16 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 -0.65 7.34 -0.00 -0.55 -3.35 114.38 117.17 1t3k h ARG 78 Ca -0.20 0.00 0.08 0.00 -0.50 0.00 0.00 59.98 59.37 1t3k h ARG 78 Cb 0.69 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 30.57 1t3k h ARG 78 CO 0.29 0.41 -0.30 0.41 0.00 0.00 0.00 179.97 180.78 1t3k n GLY 79 N 0.91 -1.47 0.37 0.04 0.00 -1.26 0.35 105.19 104.14 1t3k n GLY 79 Ca 0.02 0.74 0.12 0.00 0.00 0.00 0.00 46.02 46.90 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 0.57 -0.75 1.61 0.13 -1.97 0.12 132.00 131.70 1t3k h PRO 80 Ca 0.18 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1t3k h PRO 80 Cb 0.34 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 31.31 1t3k h PRO 80 CO -0.63 0.37 0.47 1.15 -0.23 0.00 0.00 178.00 179.13 1t3k h THR 81 N 0.58 1.21 -0.46 1.56 2.02 0.59 0.29 112.91 118.69 1t3k h THR 81 Ca 0.37 -0.43 0.02 0.00 0.77 0.00 0.00 66.41 67.13 1t3k h THR 81 Cb 0.63 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1t3k h THR 81 CO -0.14 0.21 0.28 0.00 0.37 0.00 0.00 175.52 176.24 1t3k h ALA 83 N 1.20 1.83 -0.52 0.00 0.00 -0.44 0.15 119.26 121.49 1t3k h ALA 83 Ca 0.18 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1t3k h ALA 83 Cb -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1t3k h ALA 83 CO -0.07 0.14 0.34 -0.09 0.00 0.00 0.00 179.25 179.57 1t3k h ARG 84 N 0.17 0.66 -0.43 0.00 2.43 0.26 0.39 114.38 117.85 1t3k h ARG 84 Ca 0.04 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1t3k h ARG 84 Cb 0.07 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1t3k h ARG 84 CO -0.00 0.44 -0.30 0.00 -1.51 0.00 0.00 179.97 178.60 1t3k h ARG 85 N 0.68 0.95 0.00 0.20 2.47 0.21 -1.35 114.38 117.53 1t3k h ARG 85 Ca 0.19 -0.45 -0.04 0.00 -1.26 0.00 0.00 59.98 58.43 1t3k h ARG 85 Cb -0.05 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 1t3k h ARG 85 CO -0.04 1.11 -0.18 -0.07 0.56 0.00 0.00 179.97 181.34 1t3k h LEU 86 N 0.80 0.00 -0.86 3.04 3.38 -0.33 0.10 115.31 121.43 1t3k h LEU 86 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1t3k h LEU 86 Cb 0.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1t3k h LEU 86 CO 0.08 0.18 0.03 0.58 0.09 0.00 0.00 178.44 179.40 1t3k h VAL 87 N 0.00 1.25 0.00 1.22 2.07 0.72 0.18 116.25 121.69 1t3k h VAL 87 Ca -0.00 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1t3k h VAL 87 Cb 0.39 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1t3k h VAL 87 CO 0.02 0.36 -0.07 -1.13 0.02 0.00 0.00 177.57 176.77 1t3k h ASN 88 N 0.82 0.00 0.21 0.57 -1.24 0.02 -0.32 115.58 115.64 1t3k h ASN 88 Ca 0.16 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 1t3k h ASN 88 Cb 0.45 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.50 1t3k h ASN 88 CO 0.02 0.07 -0.10 0.22 -1.29 0.00 0.00 177.43 176.35 1t3k h TYR 89 N 0.00 -0.26 -0.84 0.67 5.03 -0.00 0.21 116.97 121.79 1t3k h TYR 89 Ca -0.00 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.43 1t3k h TYR 89 Cb 0.21 0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.51 1t3k h TYR 89 CO 0.00 0.02 0.55 1.25 -1.32 0.00 0.00 178.16 178.65 1t3k h LEU 90 N -1.01 0.62 -0.85 2.82 7.12 -0.87 0.33 115.31 123.47 1t3k h LEU 90 Ca -0.03 0.03 -0.12 0.00 0.13 0.00 0.00 57.88 57.89 1t3k h LEU 90 Cb 0.39 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.41 1t3k h LEU 90 CO 0.05 0.33 -0.48 -0.78 -0.13 0.00 0.00 178.44 177.43 1t3k h ASP 91 N 0.67 0.24 0.17 1.25 3.58 -1.09 0.27 116.42 121.50 1t3k h ASP 91 Ca 0.41 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 1t3k h ASP 91 Cb 0.64 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1t3k h ASP 91 CO -0.17 0.69 -0.08 -0.08 -2.88 0.00 0.00 179.24 176.72 1t3k h GLU 92 N 0.18 -0.21 -1.08 0.28 4.57 0.17 -3.38 114.58 115.10 1t3k h GLU 92 Ca 0.01 0.01 -0.61 0.00 -1.18 0.00 0.00 59.36 57.59 1t3k h GLU 92 Cb 0.92 0.05 -0.38 0.00 -0.16 0.00 0.00 28.75 29.18 1t3k h GLU 92 CO 0.07 -0.14 -0.18 1.63 -1.18 0.00 0.00 179.01 179.21 1t3k n LYS 93 N -3.75 3.26 -0.75 1.92 4.01 -0.18 -5.07 118.16 117.61 1t3k n LYS 93 Ca -0.03 -3.95 -0.24 0.00 -0.51 0.00 0.00 58.31 53.59 1t3k n LYS 93 Cb 0.09 -2.28 -0.00 0.00 -0.51 0.00 0.00 35.03 32.33 1t3k n LYS 93 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1t3k n LYS 94 N -0.70 0.00 -2.25 1.97 0.00 0.95 -3.00 118.16 115.12 1t3k n LYS 94 Ca 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.76 1t3k n LYS 94 Cb 0.76 -0.58 0.00 0.00 -0.00 0.00 0.00 35.03 35.21 1t3k n LYS 94 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1t3k n GLU 95 N 0.79 -0.64 -0.00 -1.58 2.13 -1.26 -4.99 120.64 115.09 1t3k n GLU 95 Ca 0.06 0.18 -0.00 0.00 0.66 0.00 0.00 57.16 58.05 1t3k n GLU 95 Cb 0.24 -3.68 -0.00 0.00 0.27 0.00 0.00 31.44 28.27 1t3k n GLU 95 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1t3k n ASP 96 N 1.10 0.07 -0.50 4.31 5.75 -1.16 -5.09 116.55 121.04 1t3k n ASP 96 Ca -0.03 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1t3k n ASP 96 Cb 0.53 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1t3k n ASP 96 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1t3k n THR 97 N -2.57 0.00 0.00 2.12 -2.24 -1.26 -4.97 114.28 105.36 1t3k n THR 97 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1t3k n THR 97 Cb 0.02 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.00 2.87 3.77 3.38 0.00 -1.26 -4.85 105.19 109.10 1t3k n GLY 98 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.14 2.72 -0.03 -0.61 -4.36 -1.26 -4.22 121.20 113.30 1t3k s ILE 99 Ca 0.00 0.72 -0.22 0.00 -0.26 0.00 0.00 60.65 60.89 1t3k s ILE 99 Cb 0.00 -3.45 -0.26 0.00 1.25 0.00 0.00 42.46 39.99 1t3k s ILE 99 CO 0.00 0.17 1.00 0.50 0.24 0.00 0.00 174.94 176.84 1t3k h LYS 100 N 3.32 0.31 -2.43 0.37 3.11 0.78 -3.46 116.57 118.58 1t3k h LYS 100 Ca -0.49 -0.40 -0.07 0.00 -2.81 0.00 0.00 60.65 56.88 1t3k h LYS 100 Cb 1.23 0.13 -0.25 0.00 -1.00 0.00 0.00 32.23 32.33 1t3k h LYS 100 CO 0.65 1.12 -0.27 1.21 -2.81 0.00 0.00 179.45 179.35 1t3k s ASN 101 N -6.73 -0.53 -0.27 4.20 3.04 -1.25 -4.97 114.94 108.43 1t3k s ASN 101 Ca -0.14 1.10 -0.07 0.00 0.04 0.00 0.00 52.86 53.79 1t3k s ASN 101 Cb 0.02 1.30 -0.01 0.00 -1.54 0.00 0.00 41.25 41.03 1t3k s ASN 101 CO 0.81 -0.22 0.06 -0.51 -3.04 0.00 0.00 177.10 174.20 1t3k s ILE 102 N 2.17 4.00 0.21 -5.21 1.10 -1.26 -1.01 121.20 121.20 1t3k s ILE 102 Ca -0.06 -0.50 -0.00 0.00 -0.51 0.00 0.00 60.65 59.58 1t3k s ILE 102 Cb -0.10 -2.97 -0.04 0.00 0.15 0.00 0.00 42.46 39.50 1t3k s ILE 102 CO -0.14 0.21 0.14 -0.04 -2.11 0.00 0.00 174.94 172.99 1t3k s MET 103 N 1.54 1.25 -0.07 3.50 -1.94 -0.87 0.17 119.30 122.88 1t3k s MET 103 Ca 0.04 -1.67 0.02 0.00 -1.71 0.00 0.00 55.69 52.37 1t3k s MET 103 Cb -0.16 0.22 0.02 0.00 2.01 0.00 0.00 34.83 36.91 1t3k s MET 103 CO 0.02 -0.40 -0.11 -1.50 -0.01 0.00 0.00 175.02 173.03 1t3k s ILE 104 N -4.08 1.07 0.20 2.53 -1.16 0.28 -1.55 121.20 118.48 1t3k s ILE 104 Ca 0.39 -0.42 -0.30 0.00 -0.51 0.00 0.00 60.65 59.81 1t3k s ILE 104 Cb 0.07 -1.00 -0.08 0.00 0.61 0.00 0.00 42.46 42.06 1t3k s ILE 104 CO 0.13 0.35 0.94 -0.76 -2.81 0.00 0.00 174.94 172.79 1t3k s LEU 105 N 0.85 4.60 0.11 8.50 1.43 -1.26 -2.55 118.68 130.36 1t3k s LEU 105 Ca -0.11 1.89 0.15 0.00 -1.03 0.00 0.00 54.13 55.03 1t3k s LEU 105 Cb -0.15 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.37 1t3k s LEU 105 CO 0.02 0.09 0.99 -0.33 0.23 0.00 0.00 176.35 177.35 1t3k h GLU 106 N 4.59 0.00 0.00 1.70 5.08 -1.73 -3.23 114.58 120.98 1t3k h GLU 106 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1t3k h GLU 106 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1t3k h GLU 106 CO 0.69 0.43 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.92 1t3k h ARG 107 N 0.00 0.00 0.00 2.33 9.65 -1.87 -3.37 114.38 121.12 1t3k h ARG 107 Ca -0.13 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1t3k h ARG 107 Cb 1.60 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.18 1t3k h ARG 107 CO 0.06 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.24 1t3k n GLY 108 N 1.79 0.81 0.86 2.80 0.00 0.27 -2.97 105.19 108.75 1t3k n GLY 108 Ca -0.02 0.44 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 1t3k n GLY 108 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1t3k n PHE 109 N 0.00 0.00 0.07 1.61 -1.74 -1.26 -4.79 117.46 111.34 1t3k n PHE 109 Ca 0.00 -0.34 -0.13 0.00 -0.56 0.00 0.00 57.45 56.42 1t3k n PHE 109 Cb 0.00 0.38 -0.09 0.00 1.52 0.00 0.00 39.48 41.30 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 0.04 -0.15 0.01 5.98 4.21 -1.91 0.93 115.58 124.70 1t3k h ASN 110 Ca -0.37 -0.27 -0.10 0.00 1.21 0.00 0.00 56.30 56.77 1t3k h ASN 110 Cb 1.31 0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 38.53 1t3k h ASN 110 CO -0.18 0.20 -0.31 1.23 -1.29 0.00 0.00 177.43 177.09 1t3k h GLY 111 N -0.51 0.48 0.65 2.83 0.00 -1.93 -0.32 103.07 104.26 1t3k h GLY 111 Ca -0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1t3k h GLY 111 CO 0.03 0.38 -0.09 -0.25 0.00 0.00 0.00 176.54 176.61 1t3k h TRP 112 N 0.38 -0.23 -0.14 5.60 7.01 -1.84 2.34 115.95 129.07 1t3k h TRP 112 Ca 0.05 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 1t3k h TRP 112 Cb 0.73 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.86 1t3k h TRP 112 CO 0.02 0.11 -0.00 1.49 -2.79 0.00 0.00 178.44 177.27 1t3k h GLU 113 N -0.59 0.26 -0.04 2.65 4.57 -0.82 3.40 114.58 124.00 1t3k h GLU 113 Ca -0.03 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1t3k h GLU 113 Cb 0.44 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1t3k h GLU 113 CO 0.04 0.49 -0.01 0.00 -1.18 0.00 0.00 179.01 178.36 1t3k h ALA 114 N 0.76 0.05 0.00 2.92 0.00 -1.09 -3.34 119.26 118.55 1t3k h ALA 114 Ca 0.04 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1t3k h ALA 114 Cb 0.38 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1t3k h ALA 114 CO 0.01 -0.25 -1.53 -1.13 0.00 0.00 0.00 179.25 176.35 1t3k n SER 115 N -4.87 1.93 -1.42 0.00 3.41 0.70 -4.68 113.62 108.70 1t3k n SER 115 Ca -0.07 0.04 -0.08 0.00 -0.26 0.00 0.00 58.87 58.49 1t3k n SER 115 Cb 0.21 -0.22 0.07 0.00 -0.26 0.00 0.00 64.21 64.01 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 2.72 2.86 0.00 5.00 0.00 0.35 -4.86 105.19 111.26 1t3k n GLY 116 Ca -0.18 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.07 0.00 0.00 1.61 4.81 1.10 -4.53 118.16 121.07 1t3k n LYS 117 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1t3k n LYS 117 Cb 0.91 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.96 1t3k n LYS 117 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1t3k n PRO 118 N 0.00 0.00 -3.67 1.64 -0.02 -1.26 -4.54 135.00 127.14 1t3k n PRO 118 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1t3k n PRO 118 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 1t3k n PRO 118 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1t3k s VAL 119 N 0.00 5.17 0.58 -1.45 -7.23 -1.26 -5.01 120.40 111.19 1t3k s VAL 119 Ca 0.00 0.04 -0.20 0.00 -1.81 0.00 0.00 61.98 60.01 1t3k s VAL 119 Cb 0.00 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 1t3k s VAL 119 CO 0.00 0.05 1.29 0.00 -0.31 0.00 0.00 175.10 176.13 1t3k n ARG 121 N -1.36 1.06 -0.31 0.00 -4.01 -1.25 -3.14 116.66 107.63 1t3k n ARG 121 Ca 0.12 -1.90 0.00 0.00 -1.04 0.00 0.00 57.85 55.04 1t3k n ARG 121 Cb 0.47 -0.78 0.00 0.00 -3.04 0.00 0.00 32.46 29.11 1t3k n ARG 121 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1t3k n ALA 123 N -3.00 3.22 -1.35 0.00 0.00 -1.26 -5.07 120.51 113.05 1t3k n ALA 123 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1t3k n ALA 123 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 0.14 0.00 0.00 0.00 4.71 -1.26 -5.09 120.64 119.15 1t3k n GLU 124 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.99 1t3k n GLU 124 Cb 0.82 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.25 1t3k n GLU 124 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1t3k n VAL 125 N 0.00 0.00 1.17 2.62 0.24 -1.26 -4.93 118.33 116.17 1t3k n VAL 125 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 1t3k n VAL 125 Cb 0.00 0.00 0.33 0.00 -1.47 0.00 0.00 33.84 32.70 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 0.00 0.60 -0.31 7.34 -0.05 -1.26 -4.38 135.00 136.94 1t3k n PRO 126 Ca 0.00 -0.36 0.27 0.00 -0.05 0.00 0.00 63.50 63.36 1t3k n PRO 126 Cb 0.00 -1.49 0.46 0.00 -0.05 0.00 0.00 33.50 32.41 1t3k n PRO 126 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1t3k n LYS 128 N -4.14 0.00 0.00 0.00 2.85 -1.26 -4.45 118.16 111.17 1t3k n LYS 128 Ca 0.28 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 1t3k n LYS 128 Cb 1.05 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.43 1t3k n LYS 128 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1t3k n GLY 129 N -0.20 -3.26 2.72 2.58 0.00 -1.26 -4.65 105.19 101.12 1t3k n GLY 129 Ca 0.00 0.33 -0.20 0.00 0.00 0.00 0.00 46.02 46.15 1t3k n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t3k s ASP 130 N -2.43 1.46 -0.96 1.61 1.01 -1.09 -4.79 116.67 111.49 1t3k s ASP 130 Ca 0.00 -0.15 -0.24 0.00 0.71 0.00 0.00 52.55 52.88 1t3k s ASP 130 Cb 0.00 0.11 -0.02 0.00 1.01 0.00 0.00 42.92 44.01 1t3k s ASP 130 CO 0.00 -0.30 1.82 0.00 0.21 0.00 0.00 175.17 176.89