#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 -1.69 -3.15 -5.12 0.00 -1.26 -5.12 120.51 104.18 1t3k n ALA 2 Ca 0.00 -0.42 0.05 0.00 0.00 0.00 0.00 53.44 53.08 1t3k n ALA 2 Cb 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 1t3k n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3k s MET 3 N 0.04 0.17 -0.07 0.00 0.00 -1.26 -4.87 119.30 113.31 1t3k s MET 3 Ca 0.04 0.26 0.02 0.00 0.00 0.00 0.00 55.69 56.01 1t3k s MET 3 Cb 0.09 0.14 0.07 0.00 0.00 0.00 0.00 34.83 35.13 1t3k s MET 3 CO -0.02 -0.23 0.70 0.00 0.00 0.00 0.00 175.02 175.47 1t3k n ALA 4 N 5.36 -1.19 -3.00 3.16 0.00 -1.26 -5.16 120.51 118.42 1t3k n ALA 4 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1t3k n ALA 4 Cb 0.55 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.28 0.00 0.09 0.00 0.00 -1.26 -5.09 116.66 110.12 1t3k n ARG 5 Ca -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.77 1t3k n ARG 5 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 32.46 33.01 1t3k n ARG 5 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1t3k h SER 6 N 0.00 -0.21 -3.20 2.89 0.87 -2.02 -3.41 113.55 108.48 1t3k h SER 6 Ca 0.00 0.01 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 1t3k h SER 6 Cb 0.00 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1t3k h SER 6 CO 0.00 -0.14 0.58 -0.51 -0.53 0.00 0.00 176.83 176.23 1t3k s ILE 7 N -3.51 4.35 -0.09 2.23 2.07 -1.25 -4.20 121.20 120.80 1t3k s ILE 7 Ca -0.03 1.67 -0.08 0.00 -1.41 0.00 0.00 60.65 60.80 1t3k s ILE 7 Cb 0.00 -4.07 0.03 0.00 0.13 0.00 0.00 42.46 38.55 1t3k s ILE 7 CO 0.10 0.07 0.23 -0.44 -1.91 0.00 0.00 174.94 173.00 1t3k s SER 8 N 1.22 -0.25 0.40 4.50 0.01 -0.98 -4.86 113.70 113.74 1t3k s SER 8 Ca 0.55 0.48 -0.09 0.00 1.31 0.00 0.00 55.95 58.20 1t3k s SER 8 Cb -0.25 0.47 -0.06 0.00 0.21 0.00 0.00 66.02 66.39 1t3k s SER 8 CO 0.25 -0.09 0.75 -0.31 0.41 0.00 0.00 173.24 174.24 1t3k s TYR 9 N 0.29 3.48 -0.06 2.43 1.51 -1.26 -0.52 117.35 123.22 1t3k s TYR 9 Ca -0.01 0.97 0.04 0.00 -1.01 0.00 0.00 57.07 57.06 1t3k s TYR 9 Cb -0.03 -2.38 -0.00 0.00 -0.11 0.00 0.00 41.96 39.44 1t3k s TYR 9 CO -0.01 -0.10 -0.18 0.96 -1.11 0.00 0.00 175.55 175.11 1t3k s ILE 10 N -2.39 1.55 0.54 2.71 -4.36 -0.66 -4.81 121.20 113.78 1t3k s ILE 10 Ca 0.50 -0.77 0.03 0.00 -0.26 0.00 0.00 60.65 60.15 1t3k s ILE 10 Cb -0.10 -1.34 0.04 0.00 1.25 0.00 0.00 42.46 42.30 1t3k s ILE 10 CO 0.33 0.44 0.75 -0.89 0.24 0.00 0.00 174.94 175.81 1t3k s THR 11 N 0.13 2.68 0.25 8.37 2.01 -1.26 -3.61 115.64 124.20 1t3k s THR 11 Ca -0.07 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.08 1t3k s THR 11 Cb -0.13 -2.93 0.35 0.00 0.01 0.00 0.00 72.50 69.80 1t3k s THR 11 CO 0.03 0.00 1.59 -1.28 -0.69 0.00 0.00 174.62 174.27 1t3k h SER 12 N 0.15 -0.79 -0.35 3.53 0.87 -2.00 0.57 113.55 115.53 1t3k h SER 12 Ca -0.41 0.25 -0.09 0.00 -1.23 0.00 0.00 61.79 60.31 1t3k h SER 12 Cb 1.29 0.52 -0.02 0.00 -0.44 0.00 0.00 62.40 63.75 1t3k h SER 12 CO 0.49 -0.27 -0.11 0.71 -0.53 0.00 0.00 176.83 177.12 1t3k h THR 13 N -0.00 1.26 0.00 2.23 1.35 -2.01 -1.35 112.91 114.38 1t3k h THR 13 Ca 0.39 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1t3k h THR 13 Cb 0.60 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1t3k h THR 13 CO -0.85 0.40 0.08 1.56 -0.25 0.00 0.00 175.52 176.46 1t3k h GLN 14 N 0.71 0.00 0.00 4.72 4.20 -0.27 1.22 115.11 125.69 1t3k h GLN 14 Ca 0.12 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 1t3k h GLN 14 Cb 0.59 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 1t3k h GLN 14 CO 0.04 0.00 -0.53 1.25 -0.67 0.00 0.00 178.83 178.92 1t3k h LEU 15 N 0.00 0.00 0.28 1.46 7.12 -0.00 -3.29 115.31 120.88 1t3k h LEU 15 Ca 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1t3k h LEU 15 Cb 0.16 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.29 1t3k h LEU 15 CO 0.00 0.53 -0.17 0.25 -0.13 0.00 0.00 178.44 178.92 1t3k h LEU 16 N 0.00 -0.43 -0.28 2.25 7.12 0.15 -3.17 115.31 120.95 1t3k h LEU 16 Ca -0.01 0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.06 1t3k h LEU 16 Cb 1.16 0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 41.38 1t3k h LEU 16 CO 0.07 -0.28 -0.20 -0.65 -0.13 0.00 0.00 178.44 177.25 1t3k h PRO 17 N -0.44 -0.04 -5.46 5.25 0.11 -1.62 -3.47 132.00 126.33 1t3k h PRO 17 Ca -0.03 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 1t3k h PRO 17 Cb 0.36 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1t3k h PRO 17 CO 0.03 -0.03 -0.48 -0.11 -0.21 0.00 0.00 178.00 177.19 1t3k n LEU 18 N -3.73 -7.05 -0.28 2.35 -0.00 -1.20 -4.79 117.00 102.30 1t3k n LEU 18 Ca 0.00 0.31 0.17 0.00 -0.00 0.00 0.00 56.01 56.49 1t3k n LEU 18 Cb 0.10 -3.17 0.33 0.00 -0.00 0.00 0.00 43.42 40.67 1t3k n LEU 18 CO -0.04 -1.82 0.73 1.41 -0.00 0.00 0.00 177.39 177.67 1t3k n HIS 19 N -0.65 0.67 -0.71 1.96 8.25 -1.26 -4.77 115.22 118.71 1t3k n HIS 19 Ca 0.06 0.99 0.00 0.00 -0.26 0.00 0.00 57.72 58.51 1t3k n HIS 19 Cb 0.50 -1.21 0.00 0.00 1.12 0.00 0.00 29.99 30.40 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 -5.07 0.00 -1.96 -0.41 1.85 -1.26 -5.05 116.66 104.77 1t3k n ARG 20 Ca 0.23 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.73 1t3k n ARG 20 Cb 0.78 -1.90 0.04 0.00 -1.05 0.00 0.00 32.46 30.32 1t3k n ARG 20 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1t3k s ARG 21 N -0.29 2.93 0.10 2.89 0.52 -1.26 -4.95 118.95 118.88 1t3k s ARG 21 Ca 0.00 1.71 0.08 0.00 -0.52 0.00 0.00 55.73 56.99 1t3k s ARG 21 Cb 0.00 -1.94 -0.21 0.00 0.52 0.00 0.00 34.95 33.32 1t3k s ARG 21 CO 0.00 -1.21 1.19 -1.00 0.02 0.00 0.00 175.30 174.30 1t3k h PRO 22 N 0.68 0.01 -3.18 3.54 0.14 -1.96 -3.37 132.00 127.85 1t3k h PRO 22 Ca -0.49 -0.01 -0.35 0.00 0.14 0.00 0.00 66.00 65.29 1t3k h PRO 22 Cb 1.28 0.00 0.01 0.00 0.14 0.00 0.00 31.00 32.43 1t3k h PRO 22 CO 0.55 0.94 2.18 0.09 0.14 0.00 0.00 178.00 181.89 1t3k n ASN 23 N -3.31 4.95 -3.97 1.44 3.02 -1.26 -4.83 115.26 111.30 1t3k n ASN 23 Ca -0.02 -2.30 -0.15 0.00 -0.03 0.00 0.00 54.58 52.08 1t3k n ASN 23 Cb 0.96 -1.09 -0.14 0.00 -0.61 0.00 0.00 39.78 38.90 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1t3k s ILE 24 N 2.95 0.39 0.02 2.41 2.07 -1.26 0.91 121.20 128.69 1t3k s ILE 24 Ca 0.43 -0.38 -0.26 0.00 -1.41 0.00 0.00 60.65 59.03 1t3k s ILE 24 Cb 0.13 -0.37 0.06 0.00 0.13 0.00 0.00 42.46 42.41 1t3k s ILE 24 CO -0.03 -0.00 0.59 0.00 -1.91 0.00 0.00 174.94 173.58 1t3k s ALA 25 N -0.39 -1.52 -0.15 1.50 0.00 -0.43 -4.92 121.76 115.85 1t3k s ALA 25 Ca -0.01 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 52.76 1t3k s ALA 25 Cb -0.04 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1t3k s ALA 25 CO -0.00 -0.47 0.05 0.42 0.00 0.00 0.00 175.76 175.75 1t3k s ILE 26 N -2.05 4.66 -0.02 0.00 1.01 -1.26 -1.78 121.20 121.76 1t3k s ILE 26 Ca -0.07 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 1t3k s ILE 26 Cb -0.01 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 1t3k s ILE 26 CO 0.02 0.51 0.32 -0.63 0.00 0.00 0.00 174.94 175.16 1t3k s ILE 27 N -0.01 5.20 -0.10 2.92 1.01 0.14 -0.93 121.20 129.41 1t3k s ILE 27 Ca 0.05 0.54 -0.02 0.00 0.00 0.00 0.00 60.65 61.22 1t3k s ILE 27 Cb -0.12 -3.60 0.04 0.00 0.01 0.00 0.00 42.46 38.78 1t3k s ILE 27 CO 0.01 0.53 0.02 1.51 0.00 0.00 0.00 174.94 177.01 1t3k s ASP 28 N -1.23 1.90 0.21 3.58 -4.77 -0.76 -1.91 116.67 113.69 1t3k s ASP 28 Ca 0.23 -0.27 -0.30 0.00 -3.30 0.00 0.00 52.55 48.91 1t3k s ASP 28 Cb -0.15 -0.44 -0.16 0.00 -1.09 0.00 0.00 42.92 41.09 1t3k s ASP 28 CO 0.12 -0.23 0.92 0.55 0.70 0.00 0.00 175.17 177.22 1t3k n VAL 29 N 5.15 1.57 -3.25 2.11 3.14 -1.25 -1.66 118.33 124.13 1t3k n VAL 29 Ca -0.07 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1t3k n VAL 29 Cb 0.49 -0.62 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 1t3k n VAL 29 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1t3k n ARG 30 N 1.14 0.00 0.00 1.45 5.12 0.39 -4.73 116.66 120.03 1t3k n ARG 30 Ca 0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 1t3k n ARG 30 Cb 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.57 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 -1.32 0.00 -1.75 0.55 8.00 -1.26 -4.16 116.55 116.61 1t3k n ASP 31 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1t3k n ASP 31 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 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 2.73 0.08 -1.24 -0.58 -1.26 -4.84 120.64 115.52 1t3k n GLU 32 Ca 0.00 -3.78 0.03 0.00 -0.42 0.00 0.00 57.16 52.99 1t3k n GLU 32 Cb 0.00 -1.93 0.16 0.00 -0.57 0.00 0.00 31.44 29.10 1t3k n GLU 32 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1t3k n GLU 33 N -0.74 0.04 -0.22 3.49 0.28 -1.26 -1.93 120.64 120.30 1t3k n GLU 33 Ca 0.32 0.42 0.02 0.00 -0.16 0.00 0.00 57.16 57.76 1t3k n GLU 33 Cb 0.89 -1.89 0.14 0.00 1.43 0.00 0.00 31.44 32.02 1t3k n GLU 33 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1t3k h ARG 34 N 0.00 0.35 0.02 3.44 9.65 -1.99 1.10 114.38 126.94 1t3k h ARG 34 Ca 0.00 -0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 58.71 1t3k h ARG 34 Cb 0.51 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 1t3k h ARG 34 CO 0.00 0.23 -0.80 -2.95 2.80 0.00 0.00 179.97 179.25 1t3k h ASN 35 N 0.36 0.06 0.42 -3.80 -1.07 -1.83 -3.35 115.58 106.37 1t3k h ASN 35 Ca 0.36 -0.75 0.00 0.00 0.07 0.00 0.00 56.30 55.97 1t3k h ASN 35 Cb 0.52 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.75 1t3k h ASN 35 CO -0.39 1.32 0.00 -1.22 0.07 0.00 0.00 177.43 177.21 1t3k n TYR 36 N -4.42 0.33 -0.38 4.14 4.01 -1.13 -3.75 117.16 115.96 1t3k n TYR 36 Ca -0.22 0.14 0.33 0.00 -0.16 0.00 0.00 57.90 57.98 1t3k n TYR 36 Cb 0.64 -0.73 0.55 0.00 -0.31 0.00 0.00 39.34 39.49 1t3k n TYR 36 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1t3k n ASP 37 N -1.81 0.17 -0.64 7.72 5.75 0.38 -4.84 116.55 123.28 1t3k n ASP 37 Ca 0.02 1.11 0.06 0.00 -0.01 0.00 0.00 54.79 55.98 1t3k n ASP 37 Cb 0.14 -0.55 -0.02 0.00 -1.03 0.00 0.00 41.12 39.67 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 -1.42 -0.76 0.92 6.12 0.00 -1.25 -4.97 105.19 103.82 1t3k n GLY 38 Ca 0.33 -0.53 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.89 -0.26 -3.23 1.61 -0.00 -1.26 -4.85 115.22 105.34 1t3k n HIS 39 Ca 0.00 -0.79 -0.22 0.00 -0.00 0.00 0.00 57.72 56.71 1t3k n HIS 39 Cb 0.22 0.09 0.01 0.00 -0.00 0.00 0.00 29.99 30.30 1t3k n HIS 39 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1t3k n ILE 40 N -0.18 -1.23 -3.87 1.59 2.08 -1.26 -4.45 119.36 112.05 1t3k n ILE 40 Ca 0.02 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.21 1t3k n ILE 40 Cb 0.17 -2.23 -0.12 0.00 -0.75 0.00 0.00 39.64 36.71 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1t3k s ALA 41 N -2.97 -0.18 0.00 -1.39 0.00 0.59 -3.80 121.76 114.01 1t3k s ALA 41 Ca 0.35 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1t3k s ALA 41 Cb -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1t3k s ALA 41 CO 0.44 -0.08 0.07 0.41 0.00 0.00 0.00 175.76 176.59 1t3k n GLY 42 N 2.61 0.65 0.00 0.00 0.00 -1.06 -1.85 105.19 105.54 1t3k n GLY 42 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.76 -0.82 -4.16 1.61 3.41 -1.26 -4.67 113.62 106.97 1t3k n SER 43 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1t3k n SER 43 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.79 1t3k n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1t3k s LEU 44 N 0.00 1.93 -0.32 1.04 2.01 -0.11 -4.91 118.68 118.33 1t3k s LEU 44 Ca 0.00 -0.43 -0.11 0.00 0.01 0.00 0.00 54.13 53.60 1t3k s LEU 44 Cb 0.00 -1.15 -0.02 0.00 0.01 0.00 0.00 46.19 45.04 1t3k s LEU 44 CO 0.00 0.14 0.19 -1.00 1.01 0.00 0.00 176.35 176.68 1t3k s HIS 45 N 0.27 3.20 0.07 0.29 3.76 -1.26 -1.82 115.29 119.79 1t3k s HIS 45 Ca -0.12 -0.36 0.06 0.00 -0.15 0.00 0.00 55.06 54.49 1t3k s HIS 45 Cb -0.15 -2.40 -0.03 0.00 1.11 0.00 0.00 32.58 31.11 1t3k s HIS 45 CO 0.05 -0.39 -0.16 1.52 -0.85 0.00 0.00 174.74 174.91 1t3k s TYR 46 N 1.67 1.42 0.00 1.40 1.13 -0.67 -4.90 117.35 117.40 1t3k s TYR 46 Ca 0.05 -0.41 0.00 0.00 -1.41 0.00 0.00 57.07 55.30 1t3k s TYR 46 Cb -0.17 -0.81 0.00 0.00 -1.10 0.00 0.00 41.96 39.88 1t3k s TYR 46 CO 0.08 0.09 0.00 0.00 -2.51 0.00 0.00 175.55 173.21 1t3k n ALA 47 N 1.45 0.00 -2.24 9.51 0.00 -1.26 0.15 120.51 128.12 1t3k n ALA 47 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.20 1t3k n ALA 47 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 1t3k n ALA 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1t3k n SER 48 N 0.00 -0.67 0.04 0.00 3.41 -1.26 -4.71 113.62 110.44 1t3k n SER 48 Ca 0.00 -2.04 -0.09 0.00 -0.26 0.00 0.00 58.87 56.48 1t3k n SER 48 Cb 0.00 0.25 -0.13 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.46 0.04 -2.77 5.00 0.00 -1.98 -3.41 103.07 100.41 1t3k h GLY 49 Ca -0.48 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 46.62 1t3k h GLY 49 CO -0.19 0.08 -0.27 1.44 0.00 0.00 0.00 176.54 177.60 1t3k n SER 50 N -3.29 -1.08 -0.18 0.19 7.64 -1.26 -4.94 113.62 110.69 1t3k n SER 50 Ca -0.06 -1.99 0.13 0.00 1.01 0.00 0.00 58.87 57.97 1t3k n SER 50 Cb 0.98 0.39 0.67 0.00 -1.01 0.00 0.00 64.21 65.24 1t3k n SER 50 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1t3k n PHE 51 N -0.41 0.03 1.40 1.43 -0.00 -1.26 -3.10 117.46 115.55 1t3k n PHE 51 Ca -0.24 -0.02 0.11 0.00 -0.00 0.00 0.00 57.45 57.30 1t3k n PHE 51 Cb 0.73 0.00 0.66 0.00 -0.00 0.00 0.00 39.48 40.88 1t3k n PHE 51 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1t3k n ASP 52 N -0.50 0.00 -0.11 -2.13 9.92 -1.26 -1.99 116.55 120.47 1t3k n ASP 52 Ca 0.19 -0.70 0.01 0.00 -0.53 0.00 0.00 54.79 53.76 1t3k n ASP 52 Cb 0.18 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.68 1t3k n ASP 52 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1t3k n ASP 53 N -1.00 1.37 -0.01 -2.24 8.00 -1.18 -4.53 116.55 116.97 1t3k n ASP 53 Ca 0.17 -1.24 -0.01 0.00 0.71 0.00 0.00 54.79 54.42 1t3k n ASP 53 Cb 0.08 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.09 3.36 0.01 -1.24 5.02 -0.84 -4.49 118.16 120.07 1t3k n LYS 54 Ca 0.02 -0.00 0.22 0.00 -2.02 0.00 0.00 58.31 56.53 1t3k n LYS 54 Cb 0.10 -1.05 0.73 0.00 -0.02 0.00 0.00 35.03 34.79 1t3k n LYS 54 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1t3k h ILE 55 N 0.00 0.48 0.00 -0.18 2.04 -1.77 1.46 117.51 119.55 1t3k h ILE 55 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1t3k h ILE 55 Cb 1.04 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1t3k h ILE 55 CO 0.00 0.00 -0.45 -1.20 0.00 0.00 0.00 178.15 176.50 1t3k n SER 56 N -3.97 0.67 -0.10 1.72 7.64 -1.26 -2.07 113.62 116.25 1t3k n SER 56 Ca 0.10 0.20 -0.01 0.00 1.01 0.00 0.00 58.87 60.18 1t3k n SER 56 Cb 0.70 -0.07 0.24 0.00 -1.01 0.00 0.00 64.21 64.07 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 0.77 -0.02 1.43 6.17 0.18 1.05 115.15 124.72 1t3k h HIS 57 Ca 0.00 -0.05 -0.14 0.00 0.71 0.00 0.00 60.37 60.89 1t3k h HIS 57 Cb 0.71 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.39 1t3k h HIS 57 CO 0.00 0.62 -0.63 -0.07 0.71 0.00 0.00 177.93 178.56 1t3k h LEU 58 N 0.74 0.10 -1.38 0.26 4.07 -1.15 -1.91 115.31 116.04 1t3k h LEU 58 Ca 0.17 -0.06 0.05 0.00 0.08 0.00 0.00 57.88 58.12 1t3k h LEU 58 Cb 0.21 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 1t3k h LEU 58 CO -0.01 0.71 0.46 0.58 -1.08 0.00 0.00 178.44 179.10 1t3k h VAL 59 N 0.06 1.07 0.00 1.22 2.07 0.14 0.15 116.25 120.96 1t3k h VAL 59 Ca -0.01 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1t3k h VAL 59 Cb 1.13 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1t3k h VAL 59 CO 0.09 0.14 -0.23 1.56 0.02 0.00 0.00 177.57 179.16 1t3k h GLN 60 N 0.79 0.00 -0.82 1.57 7.50 0.91 -2.97 115.11 122.08 1t3k h GLN 60 Ca 0.29 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.44 1t3k h GLN 60 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.68 1t3k h GLN 60 CO -0.09 0.23 0.00 0.09 -1.50 0.00 0.00 178.83 177.56 1t3k n ASN 61 N -3.45 0.82 0.00 1.46 5.03 0.52 -4.83 115.26 114.82 1t3k n ASN 61 Ca -0.00 -1.88 0.00 0.00 0.87 0.00 0.00 54.58 53.57 1t3k n ASN 61 Cb 0.41 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 -0.03 0.00 -3.05 2.41 0.24 -1.12 -3.68 118.33 113.09 1t3k n VAL 62 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.10 1t3k n VAL 62 Cb 0.21 -0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 32.10 1t3k n VAL 62 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1t3k n LYS 63 N -0.29 -1.38 -1.49 7.34 -0.00 -1.22 -4.75 118.16 116.38 1t3k n LYS 63 Ca 0.00 0.06 -0.28 0.00 -0.00 0.00 0.00 58.31 58.09 1t3k n LYS 63 Cb 0.12 -3.31 0.08 0.00 -0.00 0.00 0.00 35.03 31.93 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 -1.36 6.10 0.20 -5.58 8.00 -1.24 -3.00 116.55 119.67 1t3k n ASP 64 Ca 0.05 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.79 1t3k n ASP 64 Cb 0.33 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1t3k n ASP 64 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1t3k n LYS 65 N -0.89 0.00 -2.69 -1.24 0.00 -1.26 -4.99 118.16 107.09 1t3k n LYS 65 Ca 0.54 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.42 1t3k n LYS 65 Cb 0.86 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.87 1t3k n LYS 65 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1t3k s ASP 66 N -1.80 7.08 -0.20 -5.58 -4.77 -1.21 -4.42 116.67 105.77 1t3k s ASP 66 Ca 0.00 1.35 -0.09 0.00 -3.30 0.00 0.00 52.55 50.51 1t3k s ASP 66 Cb 0.00 -2.53 -0.05 0.00 -1.09 0.00 0.00 42.92 39.25 1t3k s ASP 66 CO 0.00 -0.64 0.11 0.42 0.70 0.00 0.00 175.17 175.76 1t3k s THR 67 N 3.08 5.19 -0.00 2.11 -4.23 0.26 0.45 115.64 122.50 1t3k s THR 67 Ca 0.43 0.11 0.04 0.00 -1.18 0.00 0.00 61.69 61.09 1t3k s THR 67 Cb -0.15 -3.36 -0.01 0.00 1.34 0.00 0.00 72.50 70.31 1t3k s THR 67 CO 0.07 0.44 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.26 1t3k s LEU 68 N 0.42 2.05 -0.22 4.79 1.98 0.08 -1.32 118.68 126.46 1t3k s LEU 68 Ca 0.06 -0.24 -0.05 0.00 -2.89 0.00 0.00 54.13 51.01 1t3k s LEU 68 Cb -0.12 -0.55 -0.02 0.00 0.66 0.00 0.00 46.19 46.17 1t3k s LEU 68 CO -0.01 0.11 -0.02 0.54 -1.89 0.00 0.00 176.35 175.08 1t3k s VAL 69 N -0.37 3.63 0.41 1.68 0.11 -0.74 -0.37 120.40 124.75 1t3k s VAL 69 Ca 0.03 -0.41 0.08 0.00 -2.93 0.00 0.00 61.98 58.75 1t3k s VAL 69 Cb -0.05 -2.65 -0.02 0.00 -1.53 0.00 0.00 36.38 32.12 1t3k s VAL 69 CO -0.00 0.41 0.35 0.72 -3.33 0.00 0.00 175.10 173.25 1t3k s PHE 70 N 1.36 2.72 0.00 1.54 -0.71 -0.64 -0.69 117.98 121.56 1t3k s PHE 70 Ca 0.04 -0.48 0.00 0.00 -1.04 0.00 0.00 56.93 55.46 1t3k s PHE 70 Cb -0.14 -2.11 0.00 0.00 -1.21 0.00 0.00 43.02 39.56 1t3k s PHE 70 CO -0.01 -0.06 0.00 1.58 -1.34 0.00 0.00 175.22 175.39 1t3k n HIS 71 N -1.50 0.00 -0.13 3.49 -0.00 -0.80 -3.78 115.22 112.50 1t3k n HIS 71 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1t3k n HIS 71 Cb 0.62 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.49 1t3k n HIS 71 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1t3k n SER 72 N 0.00 -0.31 0.00 0.26 2.88 -1.26 -3.76 113.62 111.42 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 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 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 2.53 0.00 -2.72 -1.46 0.00 -1.25 -2.68 120.51 114.93 1t3k n ALA 73 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1t3k n ALA 73 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1t3k n ALA 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1t3k n LEU 74 N 0.00 -2.45 -3.09 0.00 4.77 -1.26 -4.67 117.00 110.29 1t3k n LEU 74 Ca 0.00 -2.42 -0.09 0.00 -0.03 0.00 0.00 56.01 53.47 1t3k n LEU 74 Cb 0.00 0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 1t3k n LEU 74 CO 0.00 1.73 1.17 -1.20 -1.33 0.00 0.00 177.39 177.76 1t3k n SER 75 N 2.17 0.48 -4.14 -1.43 7.64 -1.09 -4.18 113.62 113.07 1t3k n SER 75 Ca 0.10 -2.10 -0.34 0.00 1.01 0.00 0.00 58.87 57.54 1t3k n SER 75 Cb 0.63 -0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 63.24 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 5.43 -1.24 -1.16 1.43 0.00 -1.26 0.18 117.38 120.76 1t3k n GLN 76 Ca 0.10 0.17 -0.09 0.00 0.00 0.00 0.00 57.00 57.18 1t3k n GLN 76 Cb 0.08 -3.53 -0.04 0.00 0.00 0.00 0.00 30.24 26.75 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 -4.65 0.00 0.15 -0.39 0.24 -1.26 -4.77 118.33 107.65 1t3k n VAL 77 Ca -0.25 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.08 1t3k n VAL 77 Cb 0.66 -1.01 0.09 0.00 -1.47 0.00 0.00 33.84 32.10 1t3k n VAL 77 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1t3k h ARG 78 N 0.00 0.00 -0.51 7.34 2.43 0.16 -3.37 114.38 120.43 1t3k h ARG 78 Ca -0.19 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1t3k h ARG 78 Cb 0.74 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.21 1t3k h ARG 78 CO 0.27 0.47 -0.24 0.41 -1.51 0.00 0.00 179.97 179.37 1t3k n GLY 79 N 1.05 -1.16 0.34 2.80 0.00 -1.25 0.32 105.19 107.29 1t3k n GLY 79 Ca 0.02 0.59 0.05 0.00 0.00 0.00 0.00 46.02 46.67 1t3k n GLY 79 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1t3k h PRO 80 N 0.00 0.90 -0.65 1.61 0.11 -1.96 0.14 132.00 132.14 1t3k h PRO 80 Ca 0.14 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1t3k h PRO 80 Cb 0.27 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 1t3k h PRO 80 CO -0.50 0.59 0.33 1.15 -0.21 0.00 0.00 178.00 179.36 1t3k h THR 81 N 0.92 1.21 -0.34 -1.15 2.02 0.48 -0.34 112.91 115.71 1t3k h THR 81 Ca 0.45 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1t3k h THR 81 Cb 0.42 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1t3k h THR 81 CO -0.25 0.24 0.20 0.00 0.37 0.00 0.00 175.52 176.07 1t3k h ALA 83 N 1.15 1.63 -0.44 0.00 0.00 -0.58 0.34 119.26 121.36 1t3k h ALA 83 Ca 0.13 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1t3k h ALA 83 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1t3k h ALA 83 CO -0.06 0.31 0.30 0.00 0.00 0.00 0.00 179.25 179.80 1t3k h ARG 84 N 0.56 0.54 -0.80 0.00 3.08 0.73 0.16 114.38 118.65 1t3k h ARG 84 Ca 0.14 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1t3k h ARG 84 Cb 0.02 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 1t3k h ARG 84 CO -0.02 0.36 0.41 0.00 -1.07 0.00 0.00 179.97 179.65 1t3k h ARG 85 N 0.56 1.13 -0.56 0.04 2.47 0.13 0.39 114.38 118.54 1t3k h ARG 85 Ca 0.17 -0.15 0.05 0.00 -1.26 0.00 0.00 59.98 58.80 1t3k h ARG 85 Cb -0.00 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.07 1t3k h ARG 85 CO -0.04 0.85 0.37 -0.07 0.56 0.00 0.00 179.97 181.65 1t3k h LEU 86 N 1.12 0.49 -0.96 3.04 4.07 -0.27 0.36 115.31 123.14 1t3k h LEU 86 Ca 0.28 -0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.15 1t3k h LEU 86 Cb 0.07 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 1t3k h LEU 86 CO -0.04 0.32 -0.15 0.58 -1.08 0.00 0.00 178.44 178.07 1t3k h VAL 87 N 0.56 1.25 -0.92 1.22 2.07 0.77 -1.60 116.25 119.59 1t3k h VAL 87 Ca 0.24 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.67 1t3k h VAL 87 Cb 0.24 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 1t3k h VAL 87 CO -0.07 0.37 0.60 -0.55 0.02 0.00 0.00 177.57 177.94 1t3k h ASN 88 N 0.53 0.99 0.28 0.57 -1.07 0.26 0.61 115.58 117.76 1t3k h ASN 88 Ca 0.09 -0.01 -0.21 0.00 0.07 0.00 0.00 56.30 56.24 1t3k h ASN 88 Cb 0.56 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 36.59 1t3k h ASN 88 CO 0.04 0.67 -0.86 0.22 0.07 0.00 0.00 177.43 177.57 1t3k h TYR 89 N 1.15 0.62 -0.85 4.14 5.03 -1.32 -2.37 116.97 123.36 1t3k h TYR 89 Ca 0.37 -0.31 0.12 0.00 2.58 0.00 0.00 58.73 61.50 1t3k h TYR 89 Cb 0.03 -0.08 -0.06 0.00 1.55 0.00 0.00 36.73 38.16 1t3k h TYR 89 CO -0.01 1.11 0.55 1.25 -1.32 0.00 0.00 178.16 179.74 1t3k h LEU 90 N 0.26 0.66 -0.90 2.82 7.12 -0.17 0.36 115.31 125.46 1t3k h LEU 90 Ca -0.06 0.03 -0.12 0.00 0.13 0.00 0.00 57.88 57.86 1t3k h LEU 90 Cb 1.48 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 41.49 1t3k h LEU 90 CO 0.15 0.36 -0.54 -0.78 -0.13 0.00 0.00 178.44 177.50 1t3k h ASP 91 N 0.71 0.04 0.00 1.25 3.58 0.46 -1.40 116.42 121.06 1t3k h ASP 91 Ca 0.42 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.85 1t3k h ASP 91 Cb 0.61 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1t3k h ASP 91 CO -0.18 0.57 0.00 1.21 -2.88 0.00 0.00 179.24 177.96 1t3k n GLU 92 N -3.90 0.00 -0.05 0.28 4.07 0.11 -4.47 120.64 116.67 1t3k n GLU 92 Ca -0.01 0.41 0.11 0.00 -0.06 0.00 0.00 57.16 57.61 1t3k n GLU 92 Cb 0.55 -0.91 0.47 0.00 -0.06 0.00 0.00 31.44 31.49 1t3k n GLU 92 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1t3k n LYS 93 N -2.03 1.58 -1.54 5.31 4.76 -0.06 -5.04 118.16 121.14 1t3k n LYS 93 Ca 0.00 -0.86 0.00 0.00 -2.87 0.00 0.00 58.31 54.58 1t3k n LYS 93 Cb 0.00 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1t3k n LYS 93 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1t3k n LYS 94 N 0.07 -4.36 -2.14 1.97 3.00 -0.53 -4.94 118.16 111.23 1t3k n LYS 94 Ca 0.17 3.19 0.00 0.00 -0.00 0.00 0.00 58.31 61.67 1t3k n LYS 94 Cb 0.29 -3.55 0.00 0.00 0.00 0.00 0.00 35.03 31.77 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 -0.22 -2.89 0.00 1.64 2.13 -1.23 -4.92 120.64 115.15 1t3k n GLU 95 Ca 0.00 2.08 0.00 0.00 0.66 0.00 0.00 57.16 59.90 1t3k n GLU 95 Cb 0.00 -2.77 0.00 0.00 0.27 0.00 0.00 31.44 28.94 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 1.90 0.00 0.00 4.31 5.75 -1.26 -4.90 116.55 122.35 1t3k n ASP 96 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1t3k n ASP 96 Cb 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1t3k n ASP 96 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1t3k n THR 97 N -1.39 0.00 0.00 2.12 -1.04 -1.26 -4.55 114.28 108.16 1t3k n THR 97 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1t3k n THR 97 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1t3k n THR 97 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t3k n GLY 98 N 0.00 0.92 3.82 3.41 0.00 -1.26 -4.84 105.19 107.24 1t3k n GLY 98 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 4.75 0.32 -0.61 -0.00 -1.26 -3.39 121.20 121.02 1t3k s ILE 99 Ca 0.00 1.16 0.10 0.00 -0.00 0.00 0.00 60.65 61.91 1t3k s ILE 99 Cb 0.00 -3.87 0.31 0.00 -0.00 0.00 0.00 42.46 38.90 1t3k s ILE 99 CO 0.00 0.49 1.71 0.50 -0.00 0.00 0.00 174.94 177.65 1t3k h LYS 100 N 4.34 0.51 -2.41 0.37 3.64 0.97 -3.40 116.57 120.59 1t3k h LYS 100 Ca -0.49 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.79 1t3k h LYS 100 Cb 1.21 -0.11 -0.25 0.00 -0.41 0.00 0.00 32.23 32.66 1t3k h LYS 100 CO 0.64 0.34 -0.27 1.21 -2.27 0.00 0.00 179.45 179.10 1t3k s ASN 101 N -5.14 -0.54 0.07 4.20 3.84 -1.23 -4.93 114.94 111.21 1t3k s ASN 101 Ca -0.11 1.12 -0.24 0.00 0.21 0.00 0.00 52.86 53.84 1t3k s ASN 101 Cb 0.28 1.34 -0.06 0.00 -0.55 0.00 0.00 41.25 42.25 1t3k s ASN 101 CO 0.79 -0.22 0.72 -0.63 -2.79 0.00 0.00 177.10 174.97 1t3k s ILE 102 N 2.21 4.68 0.22 -5.21 -1.09 -1.26 -0.74 121.20 120.01 1t3k s ILE 102 Ca -0.06 1.54 0.00 0.00 -2.23 0.00 0.00 60.65 59.91 1t3k s ILE 102 Cb -0.10 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 1t3k s ILE 102 CO -0.15 0.43 0.14 -0.04 -1.23 0.00 0.00 174.94 174.09 1t3k s MET 103 N -0.43 1.30 0.10 2.79 -1.94 0.50 -2.32 119.30 119.30 1t3k s MET 103 Ca 0.36 -1.70 0.09 0.00 -1.71 0.00 0.00 55.69 52.73 1t3k s MET 103 Cb -0.21 0.19 -0.04 0.00 2.01 0.00 0.00 34.83 36.79 1t3k s MET 103 CO 0.22 -0.41 -0.24 0.42 -0.01 0.00 0.00 175.02 175.00 1t3k s ILE 104 N -4.01 2.01 -0.12 2.53 -1.09 0.32 -1.62 121.20 119.22 1t3k s ILE 104 Ca 0.39 -1.57 -0.06 0.00 -2.23 0.00 0.00 60.65 57.18 1t3k s ILE 104 Cb 0.07 -1.78 -0.04 0.00 -1.58 0.00 0.00 42.46 39.13 1t3k s ILE 104 CO 0.14 0.10 0.09 -1.48 -1.23 0.00 0.00 174.94 172.56 1t3k s LEU 105 N -1.79 4.08 0.04 2.97 0.05 -1.25 -1.65 118.68 121.14 1t3k s LEU 105 Ca 0.11 0.32 0.13 0.00 0.05 0.00 0.00 54.13 54.73 1t3k s LEU 105 Cb -0.10 -1.99 -0.18 0.00 -2.05 0.00 0.00 46.19 41.88 1t3k s LEU 105 CO 0.04 0.36 0.89 1.05 -0.55 0.00 0.00 176.35 178.14 1t3k h GLU 106 N 5.34 0.00 0.00 1.48 -0.00 -1.96 -3.42 114.58 116.02 1t3k h GLU 106 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.85 1t3k h GLU 106 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 1t3k h GLU 106 CO 0.60 0.53 -0.65 -2.13 -0.00 0.00 0.00 179.01 177.36 1t3k n ARG 107 N -3.08 0.34 0.00 1.06 3.00 -1.26 -5.04 116.66 111.68 1t3k n ARG 107 Ca -0.10 0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 1t3k n ARG 107 Cb 0.95 -1.10 0.00 0.00 0.00 0.00 0.00 32.46 32.31 1t3k n ARG 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1t3k n GLY 108 N 2.14 2.09 0.00 5.14 0.00 -1.26 -3.71 105.19 109.58 1t3k n GLY 108 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1t3k n GLY 108 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1t3k n PHE 109 N 0.00 0.00 -0.03 1.61 7.35 -1.26 -4.63 117.46 120.49 1t3k n PHE 109 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 1t3k n PHE 109 Cb 0.00 0.06 -0.07 0.00 0.35 0.00 0.00 39.48 39.83 1t3k n PHE 109 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1t3k h ASN 110 N 0.00 0.19 0.20 -2.13 -1.24 -1.83 -2.03 115.58 108.73 1t3k h ASN 110 Ca 0.00 -0.30 -0.07 0.00 0.71 0.00 0.00 56.30 56.64 1t3k h ASN 110 Cb 0.66 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 1t3k h ASN 110 CO 0.00 0.44 -0.26 1.23 -1.29 0.00 0.00 177.43 177.55 1t3k h GLY 111 N -0.07 0.13 0.71 1.57 0.00 -1.93 -0.23 103.07 103.24 1t3k h GLY 111 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1t3k h GLY 111 CO 0.00 0.09 -0.10 -0.25 0.00 0.00 0.00 176.54 176.29 1t3k h TRP 112 N 0.11 -0.25 -0.15 5.60 2.91 -1.78 1.89 115.95 124.28 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 0.53 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.26 1t3k h TRP 112 CO 0.00 0.06 -0.01 1.05 -1.03 0.00 0.00 178.44 178.51 1t3k h GLU 113 N -0.56 0.28 -0.01 2.65 4.11 -1.30 4.28 114.58 124.02 1t3k h GLU 113 Ca -0.03 -0.09 -0.00 0.00 0.07 0.00 0.00 59.36 59.31 1t3k h GLU 113 Cb 0.42 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1t3k h GLU 113 CO 0.04 0.52 -0.00 0.00 0.07 0.00 0.00 179.01 179.64 1t3k h ALA 114 N 0.75 0.01 0.00 1.06 0.00 -1.06 -3.34 119.26 116.69 1t3k h ALA 114 Ca 0.04 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1t3k h ALA 114 Cb 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1t3k h ALA 114 CO 0.01 -0.30 -1.51 0.43 0.00 0.00 0.00 179.25 177.87 1t3k n SER 115 N -4.91 2.00 -2.20 0.00 7.64 0.56 -4.71 113.62 112.01 1t3k n SER 115 Ca -0.08 0.03 -0.29 0.00 1.01 0.00 0.00 58.87 59.54 1t3k n SER 115 Cb 0.19 -0.21 0.07 0.00 -1.01 0.00 0.00 64.21 63.26 1t3k n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3k n GLY 116 N 2.75 5.33 0.11 0.23 0.00 0.32 -4.82 105.19 109.10 1t3k n GLY 116 Ca -0.17 -1.93 -0.02 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.56 -0.10 -0.03 1.61 4.81 1.39 -4.41 118.16 120.88 1t3k n LYS 117 Ca 0.53 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 1t3k n LYS 117 Cb 0.66 -0.59 0.00 0.00 0.02 0.00 0.00 35.03 35.12 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 -4.35 0.00 -4.30 1.64 -0.02 -1.26 -4.69 135.00 122.02 1t3k n PRO 118 Ca 0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.19 1t3k n PRO 118 Cb 0.08 -0.03 -0.10 0.00 -0.02 0.00 0.00 33.50 33.43 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 0.06 3.43 -0.84 -1.45 0.11 -1.26 -5.00 120.40 115.45 1t3k s VAL 119 Ca 0.00 -1.14 -0.22 0.00 -2.93 0.00 0.00 61.98 57.69 1t3k s VAL 119 Cb 0.00 -2.57 -0.19 0.00 -1.53 0.00 0.00 36.38 32.09 1t3k s VAL 119 CO 0.00 0.19 2.33 0.00 -3.33 0.00 0.00 175.10 174.29 1t3k h ARG 121 N 12.23 -0.48 0.00 0.00 3.08 -1.97 -3.42 114.38 123.83 1t3k h ARG 121 Ca 0.01 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1t3k h ARG 121 Cb 1.03 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1t3k h ARG 121 CO 1.15 -0.32 0.00 0.00 -1.07 0.00 0.00 179.97 179.73 1t3k n ALA 123 N 2.50 0.00 -2.24 0.00 0.00 -1.26 -5.17 120.51 114.34 1t3k n ALA 123 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1t3k n ALA 123 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1t3k n ALA 123 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t3k s GLU 124 N 0.00 1.22 0.09 0.00 0.41 -1.26 -5.07 118.70 114.08 1t3k s GLU 124 Ca 0.00 -1.63 -0.08 0.00 -0.41 0.00 0.00 54.97 52.85 1t3k s GLU 124 Cb 0.00 0.02 -0.20 0.00 -1.78 0.00 0.00 34.13 32.17 1t3k s GLU 124 CO 0.00 -0.30 1.20 -0.39 -0.49 0.00 0.00 175.26 175.28 1t3k h VAL 125 N 2.59 1.38 -0.71 2.63 -1.51 -2.03 -3.30 116.25 115.30 1t3k h VAL 125 Ca -0.37 -2.56 0.02 0.00 -1.23 0.00 0.00 66.70 62.56 1t3k h VAL 125 Cb 1.24 2.60 -0.04 0.00 -2.13 0.00 0.00 31.29 32.96 1t3k h VAL 125 CO 0.58 0.77 0.47 1.55 -1.23 0.00 0.00 177.57 179.71 1t3k h PRO 126 N 0.22 0.89 0.00 5.19 0.13 -2.06 -3.47 132.00 132.90 1t3k h PRO 126 Ca -0.13 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1t3k h PRO 126 Cb 1.77 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.70 1t3k h PRO 126 CO 0.20 0.59 0.00 0.00 -0.23 0.00 0.00 178.00 178.55 1t3k n LYS 128 N 12.83 0.55 -1.38 0.00 4.76 -1.26 -4.93 118.16 128.73 1t3k n LYS 128 Ca 0.00 0.28 -0.13 0.00 -2.87 0.00 0.00 58.31 55.59 1t3k n LYS 128 Cb 0.00 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.63 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 1.38 1.36 2.95 0.72 0.00 -0.77 -4.90 105.19 105.93 1t3k n GLY 129 Ca -0.33 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.72 0.03 -0.23 1.61 1.01 -0.93 -4.08 116.67 111.37 1t3k s ASP 130 Ca 0.00 -0.09 0.12 0.00 0.71 0.00 0.00 52.55 53.29 1t3k s ASP 130 Cb 0.00 0.10 0.45 0.00 1.01 0.00 0.00 42.92 44.48 1t3k s ASP 130 CO 0.00 -0.12 1.33 0.00 0.21 0.00 0.00 175.17 176.59