#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 -0.03 -1.45 3.17 0.00 -1.26 -4.92 121.76 117.27 1t3k s ALA 2 Ca 0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 1t3k s ALA 2 Cb 0.00 1.04 0.14 0.00 0.00 0.00 0.00 23.12 24.30 1t3k s ALA 2 CO 0.00 -0.86 0.57 0.00 0.00 0.00 0.00 175.76 175.47 1t3k n MET 3 N -0.46 -2.56 -1.37 0.00 3.85 -1.26 -4.81 117.12 110.51 1t3k n MET 3 Ca -0.02 0.30 -0.30 0.00 -1.00 0.00 0.00 57.70 56.68 1t3k n MET 3 Cb 0.61 -4.96 0.04 0.00 -1.05 0.00 0.00 33.22 27.86 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 -3.84 6.09 -3.44 3.17 0.00 -1.26 -4.91 120.51 116.32 1t3k n ALA 4 Ca 0.06 -3.06 0.02 0.00 0.00 0.00 0.00 53.44 50.46 1t3k n ALA 4 Cb 0.49 -1.79 0.01 0.00 0.00 0.00 0.00 19.45 18.17 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 0.43 0.13 0.00 1.85 -1.26 -5.08 116.66 112.56 1t3k n ARG 5 Ca 0.50 -0.91 -0.07 0.00 -1.00 0.00 0.00 57.85 56.37 1t3k n ARG 5 Cb 0.53 1.19 -0.04 0.00 -1.05 0.00 0.00 32.46 33.09 1t3k n ARG 5 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1t3k h SER 6 N 1.02 -0.54 -3.84 2.89 0.02 -1.95 -3.42 113.55 107.72 1t3k h SER 6 Ca -0.15 0.04 -0.48 0.00 -0.84 0.00 0.00 61.79 60.36 1t3k h SER 6 Cb 0.63 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1t3k h SER 6 CO 0.20 -0.28 0.37 0.27 -1.14 0.00 0.00 176.83 176.25 1t3k s ILE 7 N -4.13 4.03 -0.09 3.27 -4.36 -1.26 -4.68 121.20 113.97 1t3k s ILE 7 Ca -0.07 1.81 -0.08 0.00 -0.26 0.00 0.00 60.65 62.05 1t3k s ILE 7 Cb 0.02 -4.06 0.03 0.00 1.25 0.00 0.00 42.46 39.69 1t3k s ILE 7 CO 0.24 0.26 0.25 -0.94 0.24 0.00 0.00 174.94 174.98 1t3k s SER 8 N -1.39 -0.26 0.39 4.36 1.04 -1.07 -4.80 113.70 111.96 1t3k s SER 8 Ca 0.48 0.50 -0.11 0.00 0.48 0.00 0.00 55.95 57.30 1t3k s SER 8 Cb -0.23 0.49 -0.07 0.00 0.10 0.00 0.00 66.02 66.32 1t3k s SER 8 CO 0.29 -0.10 0.75 -0.72 0.98 0.00 0.00 173.24 174.44 1t3k s TYR 9 N 0.32 3.46 0.03 5.02 -0.85 -1.25 -0.79 117.35 123.29 1t3k s TYR 9 Ca -0.02 1.04 0.05 0.00 -0.52 0.00 0.00 57.07 57.63 1t3k s TYR 9 Cb -0.03 -2.43 -0.02 0.00 0.38 0.00 0.00 41.96 39.86 1t3k s TYR 9 CO -0.01 -0.07 -0.16 0.96 -1.52 0.00 0.00 175.55 174.75 1t3k s ILE 10 N -2.31 1.25 0.56 -3.49 -4.36 -0.84 -4.81 121.20 107.19 1t3k s ILE 10 Ca 0.51 -0.99 0.01 0.00 -0.26 0.00 0.00 60.65 59.93 1t3k s ILE 10 Cb -0.10 -1.11 0.04 0.00 1.25 0.00 0.00 42.46 42.54 1t3k s ILE 10 CO 0.30 0.10 0.79 -0.89 0.24 0.00 0.00 174.94 175.48 1t3k s THR 11 N -0.75 2.64 0.07 8.37 2.01 -1.26 -4.00 115.64 122.72 1t3k s THR 11 Ca 0.04 -0.65 -0.26 0.00 0.31 0.00 0.00 61.69 61.12 1t3k s THR 11 Cb -0.08 -2.99 -0.12 0.00 0.01 0.00 0.00 72.50 69.33 1t3k s THR 11 CO 0.01 0.00 1.42 0.77 -0.69 0.00 0.00 174.62 176.13 1t3k h SER 12 N 0.04 -1.17 -0.50 3.53 4.64 -2.01 -1.94 113.55 116.14 1t3k h SER 12 Ca -0.42 0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1t3k h SER 12 Cb 1.30 0.42 -0.03 0.00 -0.31 0.00 0.00 62.40 63.78 1t3k h SER 12 CO 0.52 -0.44 0.25 0.71 -0.87 0.00 0.00 176.83 177.00 1t3k h THR 13 N -0.61 1.18 -0.03 2.95 1.35 -2.02 -0.57 112.91 115.16 1t3k h THR 13 Ca -0.02 -0.53 0.01 0.00 -0.55 0.00 0.00 66.41 65.32 1t3k h THR 13 Cb 0.59 0.51 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1t3k h THR 13 CO -0.18 0.22 0.20 -0.61 -0.25 0.00 0.00 175.52 174.90 1t3k h GLN 14 N 0.75 0.00 0.00 4.72 5.75 -1.78 0.83 115.11 125.38 1t3k h GLN 14 Ca 0.19 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.58 1t3k h GLN 14 Cb 0.10 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1t3k h GLN 14 CO -0.02 0.00 -0.52 1.37 -2.65 0.00 0.00 178.83 177.00 1t3k h LEU 15 N 0.00 0.00 0.37 -2.39 8.10 -0.36 -2.57 115.31 118.46 1t3k h LEU 15 Ca 0.01 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.99 1t3k h LEU 15 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.63 1t3k h LEU 15 CO -0.00 0.52 -0.18 -0.07 -4.11 0.00 0.00 178.44 174.61 1t3k h LEU 16 N 0.00 -0.42 -3.02 0.17 3.38 0.61 -3.08 115.31 112.95 1t3k h LEU 16 Ca -0.01 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1t3k h LEU 16 Cb 1.14 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1t3k h LEU 16 CO 0.07 -0.19 0.05 -0.81 0.09 0.00 0.00 178.44 177.65 1t3k n PRO 17 N -5.25 3.81 0.00 1.13 -0.04 -1.24 -4.60 135.00 128.82 1t3k n PRO 17 Ca -0.10 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 1t3k n PRO 17 Cb 0.25 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1t3k n PRO 17 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1t3k n LEU 18 N 0.36 0.20 0.00 1.53 7.94 -0.97 -4.96 117.00 121.10 1t3k n LEU 18 Ca 0.24 0.73 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 1t3k n LEU 18 Cb 1.02 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.64 1t3k n LEU 18 CO 0.27 -0.34 0.00 1.41 -1.11 0.00 0.00 177.39 177.63 1t3k n HIS 19 N -1.51 0.00 -1.47 1.96 8.25 -1.26 -5.00 115.22 116.18 1t3k n HIS 19 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 1t3k n HIS 19 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 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 -0.46 -1.52 -2.24 -0.41 1.85 -1.26 -4.93 116.66 107.69 1t3k n ARG 20 Ca 0.00 1.05 -0.41 0.00 -1.00 0.00 0.00 57.85 57.50 1t3k n ARG 20 Cb 0.00 -5.42 -0.03 0.00 -1.05 0.00 0.00 32.46 25.96 1t3k n ARG 20 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1t3k s ARG 21 N -3.39 4.43 -0.56 2.89 6.06 -1.26 -4.87 118.95 122.25 1t3k s ARG 21 Ca 0.00 2.06 -0.12 0.00 -2.50 0.00 0.00 55.73 55.17 1t3k s ARG 21 Cb 0.00 -3.14 -0.11 0.00 0.06 0.00 0.00 34.95 31.76 1t3k s ARG 21 CO 0.00 -0.12 1.75 -2.30 -2.50 0.00 0.00 175.30 172.13 1t3k n PRO 22 N 1.58 1.21 -2.06 5.12 -0.02 -1.26 -3.73 135.00 135.84 1t3k n PRO 22 Ca 0.02 -1.29 -0.04 0.00 -2.02 0.00 0.00 63.50 60.18 1t3k n PRO 22 Cb 0.43 -2.48 0.06 0.00 -0.02 0.00 0.00 33.50 31.49 1t3k n PRO 22 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1t3k n ASN 23 N 5.82 -1.25 -4.16 2.55 2.04 -1.26 -4.92 115.26 114.07 1t3k n ASN 23 Ca 0.36 -2.08 -0.25 0.00 -0.44 0.00 0.00 54.58 52.17 1t3k n ASN 23 Cb 0.21 0.53 -0.15 0.00 -2.53 0.00 0.00 39.78 37.84 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 -0.44 0.00 0.00 177.26 176.31 1t3k s ILE 24 N 0.08 1.37 -0.26 1.53 2.07 -1.24 0.46 121.20 125.21 1t3k s ILE 24 Ca 0.06 -0.74 -0.14 0.00 -1.41 0.00 0.00 60.65 58.42 1t3k s ILE 24 Cb 0.28 -1.14 0.08 0.00 0.13 0.00 0.00 42.46 41.81 1t3k s ILE 24 CO -0.08 0.39 0.62 0.00 -1.91 0.00 0.00 174.94 173.96 1t3k s ALA 25 N -0.39 -1.70 -0.05 1.50 0.00 0.79 -4.91 121.76 117.00 1t3k s ALA 25 Ca 0.06 2.22 -0.25 0.00 0.00 0.00 0.00 51.96 53.99 1t3k s ALA 25 Cb -0.07 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1t3k s ALA 25 CO -0.01 -0.40 0.76 0.42 0.00 0.00 0.00 175.76 176.53 1t3k s ILE 26 N 1.70 5.01 -0.02 0.00 1.09 -1.26 -2.44 121.20 125.27 1t3k s ILE 26 Ca -0.09 1.58 -0.12 0.00 -1.10 0.00 0.00 60.65 60.91 1t3k s ILE 26 Cb -0.06 -4.10 -0.05 0.00 -1.06 0.00 0.00 42.46 37.18 1t3k s ILE 26 CO -0.18 0.24 0.34 -0.63 -0.10 0.00 0.00 174.94 174.60 1t3k s ILE 27 N 0.82 5.16 -0.19 2.92 -1.09 0.14 -1.76 121.20 127.20 1t3k s ILE 27 Ca 0.41 0.64 0.01 0.00 -2.23 0.00 0.00 60.65 59.47 1t3k s ILE 27 Cb -0.18 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1t3k s ILE 27 CO 0.20 0.57 -0.13 -0.62 -1.23 0.00 0.00 174.94 173.73 1t3k s ASP 28 N -1.13 3.27 0.52 3.58 -1.08 -0.57 -2.07 116.67 119.20 1t3k s ASP 28 Ca 0.22 -0.79 -0.18 0.00 -0.52 0.00 0.00 52.55 51.28 1t3k s ASP 28 Cb -0.15 -1.30 -0.07 0.00 -1.46 0.00 0.00 42.92 39.94 1t3k s ASP 28 CO 0.11 -0.10 1.01 0.54 0.52 0.00 0.00 175.17 177.25 1t3k s VAL 29 N 1.37 4.18 0.00 1.11 0.11 -1.25 -0.92 120.40 125.00 1t3k s VAL 29 Ca 0.01 1.14 0.00 0.00 -2.93 0.00 0.00 61.98 60.20 1t3k s VAL 29 Cb -0.15 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 1t3k s VAL 29 CO -0.09 -0.50 0.00 -2.11 -3.33 0.00 0.00 175.10 169.07 1t3k n ARG 30 N -1.45 0.00 0.00 1.54 1.85 0.22 -4.81 116.66 114.01 1t3k n ARG 30 Ca 0.08 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.97 1t3k n ARG 30 Cb 0.53 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.92 1t3k n ARG 30 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1t3k n ASP 31 N -1.01 0.75 0.25 2.89 5.68 -1.25 -3.62 116.55 120.24 1t3k n ASP 31 Ca 0.00 -0.88 0.15 0.00 -0.50 0.00 0.00 54.79 53.56 1t3k n ASP 31 Cb 0.00 0.74 0.80 0.00 -1.14 0.00 0.00 41.12 41.52 1t3k n ASP 31 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1t3k h GLU 32 N 0.48 0.00 0.00 0.11 4.11 -1.92 1.18 114.58 118.54 1t3k h GLU 32 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1t3k h GLU 32 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1t3k h GLU 32 CO 0.00 0.00 -0.05 1.05 0.07 0.00 0.00 179.01 180.08 1t3k h GLU 33 N 0.00 0.00 0.00 1.06 -0.00 -1.92 -0.96 114.58 112.75 1t3k h GLU 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1t3k h GLU 33 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.99 1t3k h GLU 33 CO 0.00 0.05 0.00 0.54 -0.00 0.00 0.00 179.01 179.60 1t3k n ARG 34 N -3.20 0.14 -0.07 1.06 1.74 0.41 -2.71 116.66 114.02 1t3k n ARG 34 Ca -0.00 0.40 -0.10 0.00 -0.77 0.00 0.00 57.85 57.38 1t3k n ARG 34 Cb 0.30 -1.78 -0.07 0.00 -1.02 0.00 0.00 32.46 29.89 1t3k n ARG 34 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1t3k h ASN 35 N 0.00 0.00 -0.79 0.55 -0.73 -1.30 -3.34 115.58 109.97 1t3k h ASN 35 Ca 0.00 -0.42 0.19 0.00 1.87 0.00 0.00 56.30 57.94 1t3k h ASN 35 Cb 0.30 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.84 1t3k h ASN 35 CO 0.00 0.93 0.54 1.88 -0.37 0.00 0.00 177.43 180.41 1t3k h TYR 36 N -1.00 0.34 0.00 0.67 0.05 -1.59 -3.45 116.97 111.99 1t3k h TYR 36 Ca -0.08 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1t3k h TYR 36 Cb 0.71 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.34 1t3k h TYR 36 CO 0.06 0.11 0.00 -0.25 -1.05 0.00 0.00 178.16 177.03 1t3k n ASP 37 N -4.44 0.00 -4.65 3.88 8.00 -1.10 -5.00 116.55 113.25 1t3k n ASP 37 Ca 0.16 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.24 1t3k n ASP 37 Cb 0.67 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.74 1t3k n ASP 37 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1t3k s GLY 38 N -1.92 1.25 -0.26 0.44 0.00 -1.26 -4.46 107.32 101.11 1t3k s GLY 38 Ca 0.00 1.19 0.10 0.00 0.00 0.00 0.00 44.72 46.01 1t3k s GLY 38 CO 0.00 3.53 1.19 1.42 0.00 0.00 0.00 173.10 179.24 1t3k n HIS 39 N 8.44 1.87 -1.46 1.90 8.25 -1.20 -4.92 115.22 128.11 1t3k n HIS 39 Ca 0.22 -1.99 -0.40 0.00 -0.26 0.00 0.00 57.72 55.29 1t3k n HIS 39 Cb 0.42 -0.30 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 1t3k n HIS 39 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1t3k n ILE 40 N -0.74 2.15 -3.85 1.59 5.41 -1.26 -4.30 119.36 118.36 1t3k n ILE 40 Ca 0.33 -1.97 -0.12 0.00 1.00 0.00 0.00 62.75 61.99 1t3k n ILE 40 Cb 0.90 -2.33 -0.12 0.00 -0.71 0.00 0.00 39.64 37.37 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1t3k s ALA 41 N 5.82 -0.25 0.00 -1.39 0.00 0.42 -4.00 121.76 122.35 1t3k s ALA 41 Ca 0.58 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1t3k s ALA 41 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1t3k s ALA 41 CO 0.09 -0.08 0.39 0.41 0.00 0.00 0.00 175.76 176.57 1t3k n GLY 42 N 2.68 -0.97 0.00 0.00 0.00 -0.95 -1.64 105.19 104.32 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 -0.06 0.00 -4.05 1.61 3.41 -1.26 -4.60 113.62 108.67 1t3k n SER 43 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 1t3k n SER 43 Cb 0.04 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.82 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 1.71 0.03 1.04 1.43 -0.72 -4.95 118.68 117.22 1t3k s LEU 44 Ca 0.00 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 1t3k s LEU 44 Cb 0.00 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.29 1t3k s LEU 44 CO 0.00 0.05 -0.22 -1.38 0.23 0.00 0.00 176.35 175.03 1t3k s HIS 45 N 0.62 1.93 -0.00 0.29 -3.43 -1.26 -1.50 115.29 111.93 1t3k s HIS 45 Ca -0.15 -0.38 -0.13 0.00 -0.80 0.00 0.00 55.06 53.60 1t3k s HIS 45 Cb -0.16 -1.17 0.04 0.00 -1.43 0.00 0.00 32.58 29.86 1t3k s HIS 45 CO 0.04 0.07 0.60 2.48 -2.00 0.00 0.00 174.74 175.93 1t3k n TYR 46 N 2.00 -0.31 -0.02 0.38 4.11 -0.09 -4.92 117.16 118.30 1t3k n TYR 46 Ca -0.17 -0.36 -0.06 0.00 -0.00 0.00 0.00 57.90 57.32 1t3k n TYR 46 Cb 0.53 0.16 -0.02 0.00 -0.00 0.00 0.00 39.34 40.01 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 -2.02 2.58 -0.70 -3.48 0.00 -1.24 0.72 120.51 116.38 1t3k n ALA 47 Ca -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1t3k n ALA 47 Cb 0.28 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1t3k n ALA 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t3k n SER 48 N -3.35 -0.93 -0.51 0.00 2.88 -1.26 -4.12 113.62 106.32 1t3k n SER 48 Ca -0.11 0.00 0.40 0.00 -1.33 0.00 0.00 58.87 57.83 1t3k n SER 48 Cb 0.51 -0.33 0.63 0.00 -0.75 0.00 0.00 64.21 64.27 1t3k n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t3k n GLY 49 N -0.60 -0.77 0.05 0.46 0.00 -1.26 0.28 105.19 103.34 1t3k n GLY 49 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1t3k n GLY 49 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t3k n SER 50 N -3.93 0.87 0.00 1.61 2.88 -1.26 -4.96 113.62 108.84 1t3k n SER 50 Ca 0.36 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1t3k n SER 50 Cb 1.52 1.35 0.00 0.00 -0.75 0.00 0.00 64.21 66.34 1t3k n SER 50 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1t3k n PHE 51 N -2.38 0.00 -1.35 0.66 3.72 0.78 -4.45 117.46 114.44 1t3k n PHE 51 Ca -0.16 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.28 1t3k n PHE 51 Cb 0.77 -0.57 0.06 0.00 -0.94 0.00 0.00 39.48 38.79 1t3k n PHE 51 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1t3k n ASP 52 N 0.00 1.12 0.00 4.37 -0.08 -1.26 -4.53 116.55 116.18 1t3k n ASP 52 Ca 0.00 -2.34 0.00 0.00 -1.51 0.00 0.00 54.79 50.94 1t3k n ASP 52 Cb 0.00 -0.25 0.00 0.00 2.34 0.00 0.00 41.12 43.21 1t3k n ASP 52 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1t3k n ASP 53 N -0.62 0.44 -0.10 1.67 9.92 -1.26 -4.77 116.55 121.83 1t3k n ASP 53 Ca 0.06 -0.72 -0.18 0.00 -0.53 0.00 0.00 54.79 53.42 1t3k n ASP 53 Cb 0.61 0.45 -0.08 0.00 -0.64 0.00 0.00 41.12 41.46 1t3k n ASP 53 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1t3k n LYS 54 N -0.45 0.45 -0.27 -1.24 4.76 -1.26 -3.91 118.16 116.24 1t3k n LYS 54 Ca 0.00 0.16 0.08 0.00 -2.87 0.00 0.00 58.31 55.68 1t3k n LYS 54 Cb 0.01 -1.29 0.22 0.00 -1.84 0.00 0.00 35.03 32.14 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 -0.44 0.46 -0.00 -0.18 5.03 -1.87 0.67 117.51 121.18 1t3k h ILE 55 Ca -0.48 -0.10 0.00 0.00 -0.12 0.00 0.00 64.86 64.16 1t3k h ILE 55 Cb 1.54 0.16 0.00 0.00 -3.03 0.00 0.00 36.82 35.48 1t3k h ILE 55 CO -0.22 0.05 -0.26 -1.20 -0.68 0.00 0.00 178.15 175.84 1t3k n SER 56 N -5.15 0.41 -0.10 1.72 7.64 -1.26 -2.52 113.62 114.36 1t3k n SER 56 Ca 0.17 -0.19 -0.00 0.00 1.01 0.00 0.00 58.87 59.86 1t3k n SER 56 Cb 0.54 -0.03 0.27 0.00 -1.01 0.00 0.00 64.21 63.98 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 0.24 0.74 -0.02 1.43 6.17 0.21 0.96 115.15 124.88 1t3k h HIS 57 Ca 0.00 -0.03 -0.16 0.00 0.71 0.00 0.00 60.37 60.89 1t3k h HIS 57 Cb 0.47 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.15 1t3k h HIS 57 CO 0.00 0.57 -0.73 1.25 0.71 0.00 0.00 177.93 179.73 1t3k h LEU 58 N 0.74 0.14 -1.42 0.26 5.85 -1.09 -2.23 115.31 117.57 1t3k h LEU 58 Ca 0.18 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1t3k h LEU 58 Cb 0.13 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1t3k h LEU 58 CO -0.02 0.82 0.44 0.58 -0.34 0.00 0.00 178.44 179.92 1t3k h VAL 59 N 0.08 1.05 0.00 1.05 2.07 0.84 0.14 116.25 121.49 1t3k h VAL 59 Ca -0.02 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1t3k h VAL 59 Cb 1.29 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1t3k h VAL 59 CO 0.10 0.13 -0.31 1.56 0.02 0.00 0.00 177.57 179.08 1t3k h GLN 60 N 0.73 0.00 0.00 1.57 4.20 0.10 -3.31 115.11 118.41 1t3k h GLN 60 Ca 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1t3k h GLN 60 Cb 0.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 1t3k h GLN 60 CO -0.08 0.31 -0.11 -0.91 -0.67 0.00 0.00 178.83 177.37 1t3k h ASN 61 N 0.00 0.00 -7.07 1.46 -0.26 -0.44 -3.47 115.58 105.80 1t3k h ASN 61 Ca -0.00 -0.20 -0.61 0.00 -0.56 0.00 0.00 56.30 54.92 1t3k h ASN 61 Cb 0.89 0.00 -0.27 0.00 -1.06 0.00 0.00 38.32 37.88 1t3k h ASN 61 CO 0.04 0.66 -0.93 1.33 -1.06 0.00 0.00 177.43 177.47 1t3k n VAL 62 N -4.72 -0.78 1.17 2.81 0.24 -0.06 -4.76 118.33 112.23 1t3k n VAL 62 Ca -0.04 -0.28 0.04 0.00 -2.04 0.00 0.00 64.34 62.02 1t3k n VAL 62 Cb 0.15 -0.98 0.26 0.00 -1.47 0.00 0.00 33.84 31.79 1t3k n VAL 62 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1t3k n LYS 63 N -4.37 0.58 0.00 7.34 4.81 -1.26 -4.87 118.16 120.39 1t3k n LYS 63 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1t3k n LYS 63 Cb 0.59 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.41 1t3k n LYS 63 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1t3k n ASP 64 N -0.73 0.00 -4.56 3.14 9.92 -1.26 -4.72 116.55 118.33 1t3k n ASP 64 Ca 0.07 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.02 1t3k n ASP 64 Cb 0.03 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.46 1t3k n ASP 64 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1t3k s LYS 65 N 0.00 2.80 -0.26 -1.24 3.01 -1.26 -4.39 119.74 118.40 1t3k s LYS 65 Ca 0.00 -0.60 -0.07 0.00 -1.01 0.00 0.00 55.97 54.29 1t3k s LYS 65 Cb 0.00 -5.16 0.12 0.00 -1.01 0.00 0.00 37.83 31.79 1t3k s LYS 65 CO 0.00 -3.17 0.55 -0.51 0.51 0.00 0.00 175.35 172.73 1t3k s ASP 66 N 7.14 -0.77 -0.09 2.83 1.11 -1.25 -4.74 116.67 120.90 1t3k s ASP 66 Ca 0.65 1.21 0.04 0.00 0.18 0.00 0.00 52.55 54.62 1t3k s ASP 66 Cb -0.04 1.88 0.00 0.00 1.07 0.00 0.00 42.92 45.83 1t3k s ASP 66 CO -0.01 -0.23 -0.22 -0.89 1.18 0.00 0.00 175.17 175.00 1t3k s THR 67 N 2.77 1.88 -0.05 -1.27 2.01 1.63 0.16 115.64 122.77 1t3k s THR 67 Ca -0.00 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1t3k s THR 67 Cb -0.13 -1.63 0.02 0.00 0.01 0.00 0.00 72.50 70.77 1t3k s THR 67 CO -0.17 0.52 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.99 1t3k s LEU 68 N 0.41 1.49 -0.18 4.42 2.96 -0.35 -0.15 118.68 127.27 1t3k s LEU 68 Ca -0.18 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1t3k s LEU 68 Cb -0.18 -0.58 0.02 0.00 0.50 0.00 0.00 46.19 45.96 1t3k s LEU 68 CO 0.08 -0.01 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.21 1t3k s VAL 69 N 0.75 2.04 0.20 1.68 1.01 -1.02 -0.74 120.40 124.32 1t3k s VAL 69 Ca -0.12 -0.93 0.11 0.00 0.00 0.00 0.00 61.98 61.04 1t3k s VAL 69 Cb -0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1t3k s VAL 69 CO 0.01 0.53 -0.20 0.72 0.00 0.00 0.00 175.10 176.17 1t3k s PHE 70 N 1.30 2.38 0.00 5.22 -0.71 -0.71 0.26 117.98 125.72 1t3k s PHE 70 Ca 0.05 -0.32 0.00 0.00 -1.04 0.00 0.00 56.93 55.62 1t3k s PHE 70 Cb -0.13 -1.15 0.00 0.00 -1.21 0.00 0.00 43.02 40.53 1t3k s PHE 70 CO -0.13 0.53 0.00 1.58 -1.34 0.00 0.00 175.22 175.87 1t3k n HIS 71 N 0.07 0.00 -0.38 3.49 -0.00 -0.88 -3.70 115.22 113.83 1t3k n HIS 71 Ca -0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.07 1t3k n HIS 71 Cb 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 1t3k n HIS 71 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1t3k n SER 72 N 0.00 -0.50 0.00 0.26 3.41 -1.26 -4.33 113.62 111.19 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 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 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 -0.07 0.00 0.00 7.33 0.00 -1.13 -3.43 120.51 123.21 1t3k n ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t3k n ALA 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1t3k n ALA 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1t3k n LEU 74 N 0.00 0.00 -1.40 0.00 -0.00 -1.26 -4.57 117.00 109.77 1t3k n LEU 74 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1t3k n LEU 74 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1t3k n LEU 74 CO 0.00 0.00 0.18 -1.54 -0.00 0.00 0.00 177.39 176.03 1t3k n SER 75 N 0.00 0.99 -3.09 1.45 3.41 -1.22 -4.58 113.62 110.58 1t3k n SER 75 Ca 0.00 -0.88 -0.14 0.00 -0.26 0.00 0.00 58.87 57.60 1t3k n SER 75 Cb 0.00 -0.19 0.07 0.00 -0.26 0.00 0.00 64.21 63.83 1t3k n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t3k n GLN 76 N 1.33 -3.39 -1.11 4.33 3.00 -1.26 -2.40 117.38 117.88 1t3k n GLN 76 Ca 0.00 0.76 -0.04 0.00 -0.01 0.00 0.00 57.00 57.71 1t3k n GLN 76 Cb 0.12 -5.39 -0.02 0.00 0.00 0.00 0.00 30.24 24.95 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 -3.30 0.00 0.15 5.09 0.31 -1.26 -4.84 118.33 114.48 1t3k n VAL 77 Ca -0.13 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.23 1t3k n VAL 77 Cb 0.62 -0.93 0.10 0.00 -0.91 0.00 0.00 33.84 32.72 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 0.21 0.00 -0.93 5.55 -0.00 -1.83 -3.35 114.38 114.04 1t3k h ARG 78 Ca -0.08 0.00 0.10 0.00 -0.50 0.00 0.00 59.98 59.50 1t3k h ARG 78 Cb 0.78 0.00 -0.12 0.00 0.00 0.00 0.00 29.97 30.63 1t3k h ARG 78 CO 0.12 0.50 -0.50 0.41 0.00 0.00 0.00 179.97 180.49 1t3k n GLY 79 N 0.98 -2.29 0.37 0.04 0.00 -1.26 0.17 105.19 103.20 1t3k n GLY 79 Ca 0.01 1.09 0.12 0.00 0.00 0.00 0.00 46.02 47.24 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 0.58 -0.76 1.61 0.11 -1.97 0.11 132.00 131.67 1t3k h PRO 80 Ca 0.19 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 1t3k h PRO 80 Cb 0.42 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 1t3k h PRO 80 CO -0.89 0.38 0.33 1.15 -0.21 0.00 0.00 178.00 178.77 1t3k h THR 81 N 0.60 1.25 -0.23 -1.15 2.02 0.15 0.28 112.91 115.83 1t3k h THR 81 Ca 0.39 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1t3k h THR 81 Cb 0.68 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1t3k h THR 81 CO -0.15 0.31 0.11 0.00 0.37 0.00 0.00 175.52 176.16 1t3k h ALA 83 N 0.97 1.89 -0.41 0.00 0.00 -0.73 0.16 119.26 121.14 1t3k h ALA 83 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1t3k h ALA 83 Cb 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1t3k h ALA 83 CO -0.01 0.05 0.10 0.00 0.00 0.00 0.00 179.25 179.39 1t3k h ARG 84 N 0.00 0.61 -0.16 0.00 3.08 0.13 -0.15 114.38 117.88 1t3k h ARG 84 Ca -0.00 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 1t3k h ARG 84 Cb 0.08 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1t3k h ARG 84 CO 0.01 0.56 -0.51 0.07 -1.07 0.00 0.00 179.97 179.03 1t3k h ARG 85 N 0.59 0.45 -0.69 0.04 -0.00 0.32 0.11 114.38 115.20 1t3k h ARG 85 Ca 0.14 -0.27 -0.02 0.00 -0.00 0.00 0.00 59.98 59.83 1t3k h ARG 85 Cb 0.23 0.02 -0.03 0.00 -0.00 0.00 0.00 29.97 30.19 1t3k h ARG 85 CO -0.00 0.85 0.35 -0.07 -0.00 0.00 0.00 179.97 181.10 1t3k h LEU 86 N 0.36 0.90 -1.02 0.08 3.38 -0.52 -0.85 115.31 117.63 1t3k h LEU 86 Ca 0.01 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1t3k h LEU 86 Cb 1.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1t3k h LEU 86 CO 0.09 0.77 -0.07 0.58 0.09 0.00 0.00 178.44 179.90 1t3k h VAL 87 N 0.96 1.23 0.15 1.22 2.07 -0.73 -1.72 116.25 119.43 1t3k h VAL 87 Ca 0.24 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1t3k h VAL 87 Cb 0.10 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1t3k h VAL 87 CO -0.03 0.34 -0.13 -1.13 0.02 0.00 0.00 177.57 176.64 1t3k h ASN 88 N 0.58 -0.33 -0.32 0.57 -1.24 0.57 0.44 115.58 115.86 1t3k h ASN 88 Ca 0.11 0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.11 1t3k h ASN 88 Cb 0.47 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 1t3k h ASN 88 CO 0.02 -0.20 0.05 0.22 -1.29 0.00 0.00 177.43 176.24 1t3k h TYR 89 N -0.29 0.56 -0.79 0.67 5.03 -1.21 -0.42 116.97 120.51 1t3k h TYR 89 Ca -0.00 -0.08 0.13 0.00 2.58 0.00 0.00 58.73 61.36 1t3k h TYR 89 Cb 0.27 -0.15 -0.06 0.00 1.55 0.00 0.00 36.73 38.34 1t3k h TYR 89 CO -0.11 0.60 0.52 1.25 -1.32 0.00 0.00 178.16 179.10 1t3k h LEU 90 N 0.35 0.52 -0.98 2.82 6.46 -1.10 0.55 115.31 123.94 1t3k h LEU 90 Ca 0.10 0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.78 1t3k h LEU 90 Cb 0.34 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 1t3k h LEU 90 CO 0.01 0.28 -0.51 -0.78 -0.62 0.00 0.00 178.44 176.82 1t3k h ASP 91 N 0.56 0.00 0.05 1.25 3.58 0.70 0.26 116.42 122.82 1t3k h ASP 91 Ca 0.39 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.83 1t3k h ASP 91 Cb 0.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1t3k h ASP 91 CO -0.15 0.51 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.37 1t3k h GLU 92 N 0.00 -0.06 -0.61 0.28 5.08 0.17 -3.39 114.58 116.03 1t3k h GLU 92 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1t3k h GLU 92 Cb 0.90 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1t3k h GLU 92 CO 0.07 -0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.66 1t3k n LYS 93 N -3.00 3.00 -2.86 2.33 4.76 -0.27 -5.04 118.16 117.08 1t3k n LYS 93 Ca -0.01 -2.59 -0.02 0.00 -2.87 0.00 0.00 58.31 52.83 1t3k n LYS 93 Cb 0.03 -1.58 -0.01 0.00 -1.84 0.00 0.00 35.03 31.62 1t3k n LYS 93 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1t3k n LYS 94 N 1.21 -2.67 -3.83 1.97 4.76 0.90 -5.01 118.16 115.48 1t3k n LYS 94 Ca 0.22 2.23 -0.11 0.00 -2.87 0.00 0.00 58.31 57.78 1t3k n LYS 94 Cb 0.65 -3.41 -0.09 0.00 -1.84 0.00 0.00 35.03 30.34 1t3k n LYS 94 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1t3k s GLU 95 N -0.89 0.64 -0.30 1.97 4.04 -1.22 -5.02 118.70 117.92 1t3k s GLU 95 Ca -0.08 -0.49 0.06 0.00 0.04 0.00 0.00 54.97 54.50 1t3k s GLU 95 Cb 0.01 0.27 0.58 0.00 0.02 0.00 0.00 34.13 35.00 1t3k s GLU 95 CO 0.46 -0.18 1.65 -3.47 -1.84 0.00 0.00 175.26 171.88 1t3k n ASP 96 N 0.99 4.04 -1.52 0.83 2.03 -1.26 -4.67 116.55 116.98 1t3k n ASP 96 Ca -0.20 -3.09 0.00 0.00 0.52 0.00 0.00 54.79 52.02 1t3k n ASP 96 Cb 0.57 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 1t3k n ASP 96 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1t3k n THR 97 N -0.34 -4.91 0.30 5.18 -1.04 -1.26 -4.69 114.28 107.52 1t3k n THR 97 Ca 0.39 2.18 0.16 0.00 -2.04 0.00 0.00 64.05 64.74 1t3k n THR 97 Cb 1.29 -3.02 0.93 0.00 -1.82 0.00 0.00 70.33 67.71 1t3k n THR 97 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1t3k h GLY 98 N 2.39 0.00 -3.71 3.41 0.00 -1.77 -3.43 103.07 99.96 1t3k h GLY 98 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1t3k h GLY 98 CO 0.00 0.00 0.63 -0.26 0.00 0.00 0.00 176.54 176.91 1t3k s ILE 99 N -4.34 2.67 0.12 2.60 -4.36 -1.26 -4.66 121.20 111.97 1t3k s ILE 99 Ca -0.04 0.64 -0.01 0.00 -0.26 0.00 0.00 60.65 60.98 1t3k s ILE 99 Cb 0.14 -3.40 -0.21 0.00 1.25 0.00 0.00 42.46 40.24 1t3k s ILE 99 CO 0.52 0.13 1.27 0.50 0.24 0.00 0.00 174.94 177.60 1t3k h LYS 100 N 3.11 0.26 -2.67 0.37 3.11 0.14 -3.45 116.57 117.44 1t3k h LYS 100 Ca -0.49 -0.35 -0.13 0.00 -2.81 0.00 0.00 60.65 56.87 1t3k h LYS 100 Cb 1.23 0.11 -0.28 0.00 -1.00 0.00 0.00 32.23 32.29 1t3k h LYS 100 CO 0.64 1.09 -0.38 1.21 -2.81 0.00 0.00 179.45 179.20 1t3k s ASN 101 N -7.03 -0.25 -0.14 4.20 3.04 -1.13 -5.03 114.94 108.60 1t3k s ASN 101 Ca -0.04 0.84 -0.06 0.00 0.04 0.00 0.00 52.86 53.64 1t3k s ASN 101 Cb 0.09 0.93 -0.04 0.00 -1.54 0.00 0.00 41.25 40.69 1t3k s ASN 101 CO 0.86 -0.21 0.08 -0.51 -3.04 0.00 0.00 177.10 174.27 1t3k s ILE 102 N 2.00 4.95 0.21 -5.21 2.07 -1.26 -1.22 121.20 122.75 1t3k s ILE 102 Ca -0.05 0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.19 1t3k s ILE 102 Cb -0.11 -3.18 -0.04 0.00 0.13 0.00 0.00 42.46 39.27 1t3k s ILE 102 CO -0.12 0.54 0.15 -0.04 -1.91 0.00 0.00 174.94 173.57 1t3k s MET 103 N -0.34 1.25 -0.16 3.50 -1.94 0.08 -2.60 119.30 119.09 1t3k s MET 103 Ca 0.09 -1.64 0.01 0.00 -1.71 0.00 0.00 55.69 52.45 1t3k s MET 103 Cb -0.12 0.28 0.02 0.00 2.01 0.00 0.00 34.83 37.02 1t3k s MET 103 CO 0.02 -0.42 -0.18 -1.50 -0.01 0.00 0.00 175.02 172.93 1t3k s ILE 104 N -4.11 1.85 0.13 2.53 2.07 0.03 -1.73 121.20 121.96 1t3k s ILE 104 Ca 0.38 -0.82 -0.24 0.00 -1.41 0.00 0.00 60.65 58.57 1t3k s ILE 104 Cb 0.06 -1.68 -0.07 0.00 0.13 0.00 0.00 42.46 40.90 1t3k s ILE 104 CO 0.13 0.51 0.74 -1.48 -1.91 0.00 0.00 174.94 172.92 1t3k s LEU 105 N 1.27 4.56 -0.21 8.50 -0.00 -1.24 -1.99 118.68 129.56 1t3k s LEU 105 Ca 0.02 1.54 -0.03 0.00 -0.00 0.00 0.00 54.13 55.67 1t3k s LEU 105 Cb -0.13 -3.21 -0.20 0.00 -0.00 0.00 0.00 46.19 42.64 1t3k s LEU 105 CO -0.10 0.19 -0.02 -1.84 -0.00 0.00 0.00 176.35 174.58 1t3k n GLU 106 N 1.83 0.68 0.02 1.48 -0.00 -1.26 -4.49 120.64 118.91 1t3k n GLU 106 Ca -0.06 0.21 -0.02 0.00 -0.00 0.00 0.00 57.16 57.30 1t3k n GLU 106 Cb 0.49 -1.59 -0.01 0.00 -0.00 0.00 0.00 31.44 30.33 1t3k n GLU 106 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1t3k h ARG 107 N -0.08 -0.11 0.00 3.44 2.43 -1.86 -3.37 114.38 114.83 1t3k h ARG 107 Ca -0.53 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1t3k h ARG 107 Cb 1.90 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1t3k h ARG 107 CO -0.06 -0.07 0.00 0.41 -1.51 0.00 0.00 179.97 178.74 1t3k n GLY 108 N 1.40 0.53 0.03 2.80 0.00 -1.26 0.13 105.19 108.82 1t3k n GLY 108 Ca -0.01 0.74 0.11 0.00 0.00 0.00 0.00 46.02 46.85 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 0.21 -0.33 1.61 3.72 -1.26 -4.31 117.46 117.09 1t3k n PHE 109 Ca 0.00 0.06 0.01 0.00 -0.05 0.00 0.00 57.45 57.47 1t3k n PHE 109 Cb 0.00 -0.46 0.15 0.00 -0.94 0.00 0.00 39.48 38.23 1t3k n PHE 109 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1t3k h ASN 110 N 0.00 0.93 -0.33 4.37 -0.73 0.77 -1.28 115.58 119.31 1t3k h ASN 110 Ca 0.00 0.01 -0.09 0.00 1.87 0.00 0.00 56.30 58.09 1t3k h ASN 110 Cb 0.84 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.22 1t3k h ASN 110 CO 0.00 0.60 -0.12 1.23 -0.37 0.00 0.00 177.43 178.77 1t3k h GLY 111 N 1.07 0.83 0.68 1.57 0.00 -1.75 0.16 103.07 105.63 1t3k h GLY 111 Ca 0.39 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1t3k h GLY 111 CO -0.16 0.58 -0.18 -0.25 0.00 0.00 0.00 176.54 176.53 1t3k h TRP 112 N 0.70 -0.46 0.00 5.60 7.01 -1.52 0.45 115.95 127.74 1t3k h TRP 112 Ca 0.12 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 1t3k h TRP 112 Cb 0.60 0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.81 1t3k h TRP 112 CO 0.03 -0.13 -0.00 1.05 -2.79 0.00 0.00 178.44 176.60 1t3k h GLU 113 N -0.83 -0.01 0.01 2.65 4.11 -1.30 1.10 114.58 120.31 1t3k h GLU 113 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 1t3k h GLU 113 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1t3k h GLU 113 CO 0.08 0.33 -0.00 0.00 0.07 0.00 0.00 179.01 179.49 1t3k h ALA 114 N 0.65 -0.01 -1.12 1.06 0.00 -0.77 -3.05 119.26 116.02 1t3k h ALA 114 Ca -0.00 -0.17 -0.58 0.00 0.00 0.00 0.00 54.91 54.16 1t3k h ALA 114 Cb 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.72 1t3k h ALA 114 CO 0.00 -0.33 -0.69 -1.13 0.00 0.00 0.00 179.25 177.10 1t3k n SER 115 N -4.93 4.97 0.00 0.00 3.41 0.16 -4.72 113.62 112.51 1t3k n SER 115 Ca -0.08 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.79 1t3k n SER 115 Cb 0.19 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 -0.60 0.00 0.23 5.00 0.00 -0.29 -4.75 105.19 104.78 1t3k n GLY 116 Ca 0.42 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 -0.11 -1.50 1.61 3.00 0.36 -4.22 118.16 117.30 1t3k n LYS 117 Ca 0.00 0.96 -0.25 0.00 -0.00 0.00 0.00 58.31 59.02 1t3k n LYS 117 Cb 0.00 -1.43 -0.21 0.00 0.00 0.00 0.00 35.03 33.39 1t3k n LYS 117 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1t3k n PRO 118 N -4.95 0.04 -4.26 1.64 -0.02 -1.26 -4.65 135.00 121.53 1t3k n PRO 118 Ca 0.08 -0.04 -0.31 0.00 -2.02 0.00 0.00 63.50 61.21 1t3k n PRO 118 Cb 0.27 -1.24 -0.09 0.00 -0.02 0.00 0.00 33.50 32.42 1t3k n PRO 118 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1t3k s VAL 119 N 2.32 3.69 -0.11 -1.45 0.11 -1.26 -5.02 120.40 118.67 1t3k s VAL 119 Ca 1.30 -1.01 -0.12 0.00 -2.93 0.00 0.00 61.98 59.22 1t3k s VAL 119 Cb -0.87 -2.70 -0.05 0.00 -1.53 0.00 0.00 36.38 31.23 1t3k s VAL 119 CO 0.53 0.21 0.39 0.00 -3.33 0.00 0.00 175.10 172.90 1t3k n ARG 121 N 0.94 3.44 0.00 0.00 0.00 -1.26 -3.23 116.66 116.55 1t3k n ARG 121 Ca 0.08 -4.81 0.00 0.00 -0.00 0.00 0.00 57.85 53.12 1t3k n ARG 121 Cb -0.01 -2.28 0.00 0.00 -0.00 0.00 0.00 32.46 30.17 1t3k n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1t3k n ALA 123 N -3.00 0.00 -3.00 0.00 0.00 -1.26 -4.91 120.51 108.33 1t3k n ALA 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t3k n ALA 123 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1t3k n ALA 123 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1t3k n GLU 124 N -0.78 0.08 -1.08 0.00 1.02 -1.26 -5.07 120.64 113.56 1t3k n GLU 124 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1t3k n GLU 124 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1t3k n GLU 124 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1t3k n VAL 125 N 0.00 0.00 -1.00 2.62 0.31 -1.26 -3.83 118.33 115.16 1t3k n VAL 125 Ca 0.00 0.18 -0.29 0.00 -0.01 0.00 0.00 64.34 64.22 1t3k n VAL 125 Cb 0.00 -0.52 -0.11 0.00 -0.91 0.00 0.00 33.84 32.30 1t3k n VAL 125 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1t3k n PRO 126 N -3.34 0.04 0.00 5.55 -0.02 -1.26 -4.81 135.00 131.17 1t3k n PRO 126 Ca -0.01 -1.28 0.00 0.00 -2.02 0.00 0.00 63.50 60.19 1t3k n PRO 126 Cb 0.62 -3.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 1t3k n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t3k n LYS 128 N -0.51 0.00 -1.32 0.00 4.76 -1.26 -4.94 118.16 114.89 1t3k n LYS 128 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1t3k n LYS 128 Cb 0.00 -0.38 -0.05 0.00 -1.84 0.00 0.00 35.03 32.77 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 1.67 1.11 2.95 0.72 0.00 -0.65 -4.88 105.19 106.12 1t3k n GLY 129 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.50 0.02 -0.32 1.61 1.11 -0.94 -4.22 116.67 111.43 1t3k s ASP 130 Ca 0.00 -0.06 0.08 0.00 0.18 0.00 0.00 52.55 52.75 1t3k s ASP 130 Cb 0.00 0.11 0.56 0.00 1.07 0.00 0.00 42.92 44.66 1t3k s ASP 130 CO 0.00 -0.11 1.59 0.00 1.18 0.00 0.00 175.17 177.83