#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 0.32 -0.32 3.17 0.00 -1.26 -5.03 121.76 118.64 1t3k s ALA 2 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.03 1t3k s ALA 2 Cb 0.00 -0.19 0.57 0.00 0.00 0.00 0.00 23.12 23.50 1t3k s ALA 2 CO 0.00 0.01 1.60 -1.33 0.00 0.00 0.00 175.76 176.04 1t3k n MET 3 N 3.49 2.20 -3.64 0.00 2.81 -1.26 -4.98 117.12 115.75 1t3k n MET 3 Ca -0.19 -3.10 -0.20 0.00 -1.81 0.00 0.00 57.70 52.39 1t3k n MET 3 Cb 0.55 -1.94 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 1t3k n MET 3 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1t3k n ALA 4 N -0.99 -2.72 -3.00 3.04 0.00 -1.26 -4.99 120.51 110.59 1t3k n ALA 4 Ca 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1t3k n ALA 4 Cb 1.21 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1t3k n ALA 4 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1t3k n ARG 5 N -2.63 0.00 -1.90 0.00 0.00 -1.26 -5.17 116.66 105.70 1t3k n ARG 5 Ca -0.23 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.33 1t3k n ARG 5 Cb 0.64 0.00 0.09 0.00 -0.00 0.00 0.00 32.46 33.19 1t3k n ARG 5 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1t3k s SER 6 N -0.01 4.51 0.02 2.89 0.01 -1.26 -4.80 113.70 115.06 1t3k s SER 6 Ca 0.00 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.04 1t3k s SER 6 Cb 0.00 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 64.96 1t3k s SER 6 CO 0.00 -1.90 0.00 0.00 0.41 0.00 0.00 173.24 171.75 1t3k n ILE 7 N -3.31 -4.93 -3.82 1.44 0.00 -1.14 -5.02 119.36 102.57 1t3k n ILE 7 Ca 0.08 1.18 -0.12 0.00 0.00 0.00 0.00 62.75 63.89 1t3k n ILE 7 Cb 0.61 -3.05 -0.09 0.00 0.00 0.00 0.00 39.64 37.11 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 -0.21 -0.07 -0.15 9.51 1.04 -0.94 -4.98 113.70 117.89 1t3k s SER 8 Ca 0.00 -0.10 -0.15 0.00 0.48 0.00 0.00 55.95 56.18 1t3k s SER 8 Cb 0.00 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 1t3k s SER 8 CO 0.00 -0.44 0.35 -0.31 0.98 0.00 0.00 173.24 173.82 1t3k s TYR 9 N -1.54 3.47 -0.02 5.02 1.51 -1.26 -0.16 117.35 124.37 1t3k s TYR 9 Ca -0.13 0.68 0.01 0.00 -1.01 0.00 0.00 57.07 56.62 1t3k s TYR 9 Cb -0.06 -2.41 0.01 0.00 -0.11 0.00 0.00 41.96 39.40 1t3k s TYR 9 CO 0.02 0.21 -0.02 0.96 -1.11 0.00 0.00 175.55 175.61 1t3k s ILE 10 N 0.54 0.23 0.54 2.71 -0.00 -0.70 -4.91 121.20 119.61 1t3k s ILE 10 Ca 0.19 -0.02 0.03 0.00 -0.00 0.00 0.00 60.65 60.85 1t3k s ILE 10 Cb -0.14 -0.26 0.04 0.00 -0.00 0.00 0.00 42.46 42.10 1t3k s ILE 10 CO 0.06 0.12 0.75 0.28 -0.00 0.00 0.00 174.94 176.15 1t3k s THR 11 N 0.53 2.67 0.05 8.37 -1.32 -1.26 -4.09 115.64 120.59 1t3k s THR 11 Ca -0.05 -0.74 -0.10 0.00 -1.21 0.00 0.00 61.69 59.59 1t3k s THR 11 Cb -0.08 -2.93 -0.02 0.00 -1.51 0.00 0.00 72.50 67.95 1t3k s THR 11 CO -0.01 0.00 0.83 -1.20 -2.21 0.00 0.00 174.62 172.03 1t3k n SER 12 N -2.28 -0.36 -0.16 8.08 7.64 -1.26 0.10 113.62 125.38 1t3k n SER 12 Ca 0.09 0.91 -0.01 0.00 1.01 0.00 0.00 58.87 60.87 1t3k n SER 12 Cb 0.60 -0.23 0.23 0.00 -1.01 0.00 0.00 64.21 63.79 1t3k n SER 12 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1t3k h THR 13 N 0.00 1.20 0.00 0.44 1.35 -1.95 0.94 112.91 114.89 1t3k h THR 13 Ca 0.05 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1t3k h THR 13 Cb 0.14 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1t3k h THR 13 CO -0.32 0.24 0.10 1.56 -0.25 0.00 0.00 175.52 176.85 1t3k h GLN 14 N 0.89 0.00 0.00 4.72 4.20 0.34 1.01 115.11 126.27 1t3k h GLN 14 Ca 0.22 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 1t3k h GLN 14 Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1t3k h GLN 14 CO -0.03 0.00 -0.29 1.25 -0.67 0.00 0.00 178.83 179.09 1t3k h LEU 15 N 0.00 0.00 0.22 1.46 7.12 0.14 -3.18 115.31 121.06 1t3k h LEU 15 Ca 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 1t3k h LEU 15 Cb 0.20 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.32 1t3k h LEU 15 CO 0.00 0.29 -0.18 0.25 -0.13 0.00 0.00 178.44 178.67 1t3k h LEU 16 N 0.00 -0.47 0.00 2.25 7.12 0.11 -0.84 115.31 123.48 1t3k h LEU 16 Ca -0.00 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1t3k h LEU 16 Cb 0.96 0.16 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 1t3k h LEU 16 CO 0.04 -0.28 0.00 -0.81 -0.13 0.00 0.00 178.44 177.26 1t3k n PRO 17 N -5.30 0.06 -1.87 5.25 -0.04 -1.23 -3.03 135.00 128.83 1t3k n PRO 17 Ca -0.08 0.22 -0.39 0.00 -0.04 0.00 0.00 63.50 63.20 1t3k n PRO 17 Cb 0.22 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.45 7.47 -0.79 1.53 7.94 -0.32 -4.76 117.00 126.63 1t3k n LEU 18 Ca 0.05 -4.77 0.00 0.00 -1.11 0.00 0.00 56.01 50.17 1t3k n LEU 18 Cb 0.16 -1.08 0.00 0.00 0.53 0.00 0.00 43.42 43.03 1t3k n LEU 18 CO 0.13 1.75 0.14 1.41 -1.11 0.00 0.00 177.39 179.72 1t3k n HIS 19 N -0.46 0.00 -0.87 1.96 8.25 -1.17 -3.99 115.22 118.95 1t3k n HIS 19 Ca 0.54 -0.10 -0.18 0.00 -0.26 0.00 0.00 57.72 57.71 1t3k n HIS 19 Cb 0.26 -0.10 0.05 0.00 1.12 0.00 0.00 29.99 31.32 1t3k n HIS 19 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1t3k n ARG 20 N 0.60 1.88 0.23 -0.41 5.12 -1.26 -4.53 116.66 118.29 1t3k n ARG 20 Ca 0.00 -1.74 0.07 0.00 -1.93 0.00 0.00 57.85 54.25 1t3k n ARG 20 Cb 0.14 -1.68 0.55 0.00 -1.16 0.00 0.00 32.46 30.32 1t3k n ARG 20 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 1t3k h ARG 21 N 1.43 0.00 0.00 5.56 -0.00 -1.96 -2.91 114.38 116.50 1t3k h ARG 21 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.31 1t3k h ARG 21 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.98 1t3k h ARG 21 CO 0.83 0.19 0.29 -1.35 -0.00 0.00 0.00 179.97 179.93 1t3k h PRO 22 N 0.00 0.00 -0.48 0.08 0.11 -1.96 -1.78 132.00 127.97 1t3k h PRO 22 Ca -0.00 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.81 1t3k h PRO 22 Cb 0.38 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.09 1t3k h PRO 22 CO 0.02 0.00 -1.05 0.27 -0.21 0.00 0.00 178.00 177.04 1t3k n ASN 23 N -2.88 2.24 -4.73 -2.05 0.23 -1.10 -4.94 115.26 102.02 1t3k n ASN 23 Ca -0.02 -2.39 -0.35 0.00 -0.53 0.00 0.00 54.58 51.28 1t3k n ASN 23 Cb 0.34 -0.45 -0.09 0.00 -2.08 0.00 0.00 39.78 37.51 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1t3k s ILE 24 N -3.83 4.64 -0.25 1.53 2.07 -0.67 0.43 121.20 125.12 1t3k s ILE 24 Ca 0.32 -0.12 -0.14 0.00 -1.41 0.00 0.00 60.65 59.30 1t3k s ILE 24 Cb 0.34 -2.98 0.07 0.00 0.13 0.00 0.00 42.46 40.03 1t3k s ILE 24 CO -0.03 0.60 0.61 0.00 -1.91 0.00 0.00 174.94 174.21 1t3k s ALA 25 N -0.88 -1.64 -0.21 1.50 0.00 0.69 -4.88 121.76 116.34 1t3k s ALA 25 Ca 0.13 2.17 -0.08 0.00 0.00 0.00 0.00 51.96 54.18 1t3k s ALA 25 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1t3k s ALA 25 CO 0.03 -0.35 0.07 0.42 0.00 0.00 0.00 175.76 175.93 1t3k s ILE 26 N 1.59 4.64 -0.03 0.00 1.01 -1.26 -1.84 121.20 125.31 1t3k s ILE 26 Ca -0.10 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 1t3k s ILE 26 Cb -0.06 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 1t3k s ILE 26 CO -0.18 0.40 0.30 0.27 0.00 0.00 0.00 174.94 175.73 1t3k s ILE 27 N 0.92 5.23 -0.18 2.92 -4.36 -0.15 -2.40 121.20 123.17 1t3k s ILE 27 Ca 0.04 0.49 0.01 0.00 -0.26 0.00 0.00 60.65 60.92 1t3k s ILE 27 Cb -0.14 -3.58 0.04 0.00 1.25 0.00 0.00 42.46 40.03 1t3k s ILE 27 CO 0.03 0.52 -0.11 -1.81 0.24 0.00 0.00 174.94 173.81 1t3k s ASP 28 N -1.24 3.17 -0.00 4.36 1.11 -0.17 -1.49 116.67 122.41 1t3k s ASP 28 Ca 0.23 -0.77 0.08 0.00 0.18 0.00 0.00 52.55 52.27 1t3k s ASP 28 Cb -0.14 -1.20 -0.02 0.00 1.07 0.00 0.00 42.92 42.62 1t3k s ASP 28 CO 0.11 -0.12 -0.24 0.68 1.18 0.00 0.00 175.17 176.78 1t3k s VAL 29 N 1.43 2.24 0.00 -1.27 -7.23 -1.25 -0.62 120.40 113.70 1t3k s VAL 29 Ca 0.01 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1t3k s VAL 29 Cb -0.15 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1t3k s VAL 29 CO -0.09 0.51 0.00 -2.11 -0.31 0.00 0.00 175.10 173.10 1t3k n ARG 30 N 2.20 0.00 0.00 4.82 0.00 -0.96 -4.86 116.66 117.86 1t3k n ARG 30 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 1t3k n ARG 30 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.97 1t3k n ARG 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1t3k n ASP 31 N 0.00 0.00 0.08 2.89 -0.08 -1.20 -4.67 116.55 113.57 1t3k n ASP 31 Ca 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.31 1t3k n ASP 31 Cb 0.00 0.00 0.16 0.00 2.34 0.00 0.00 41.12 43.62 1t3k n ASP 31 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1t3k n GLU 32 N 0.00 0.04 0.04 -0.67 0.28 -1.26 0.65 120.64 119.72 1t3k n GLU 32 Ca 0.00 0.42 0.13 0.00 -0.16 0.00 0.00 57.16 57.55 1t3k n GLU 32 Cb 0.00 -1.90 0.38 0.00 1.43 0.00 0.00 31.44 31.35 1t3k n GLU 32 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1t3k n GLU 33 N -1.65 0.14 0.24 3.44 2.13 -1.26 -3.57 120.64 120.12 1t3k n GLU 33 Ca -0.00 0.08 0.16 0.00 0.66 0.00 0.00 57.16 58.06 1t3k n GLU 33 Cb 0.27 -1.63 0.77 0.00 0.27 0.00 0.00 31.44 31.12 1t3k n GLU 33 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1t3k h ARG 34 N 0.00 0.00 0.00 5.31 2.43 -0.17 1.23 114.38 123.18 1t3k h ARG 34 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1t3k h ARG 34 Cb 0.62 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1t3k h ARG 34 CO 0.00 0.00 -0.37 -0.91 -1.51 0.00 0.00 179.97 177.18 1t3k h ASN 35 N 0.00 0.00 0.07 -3.80 4.21 -1.75 -3.41 115.58 110.90 1t3k h ASN 35 Ca 0.00 -0.24 -0.22 0.00 1.21 0.00 0.00 56.30 57.06 1t3k h ASN 35 Cb 0.25 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 1t3k h ASN 35 CO 0.00 0.82 -1.13 0.10 -1.29 0.00 0.00 177.43 175.93 1t3k h TYR 36 N -1.00 0.29 0.00 1.19 -0.00 -1.73 -3.48 116.97 112.23 1t3k h TYR 36 Ca -0.06 -0.21 0.00 0.00 -0.00 0.00 0.00 58.73 58.47 1t3k h TYR 36 Cb 0.53 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 37.25 1t3k h TYR 36 CO -0.01 1.44 0.00 -3.47 -0.00 0.00 0.00 178.16 176.12 1t3k n ASP 37 N -4.15 0.00 -0.23 0.10 -0.08 0.42 -4.95 116.55 107.66 1t3k n ASP 37 Ca -0.24 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.04 1t3k n ASP 37 Cb 0.79 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.25 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 -1.18 0.06 2.49 0.27 0.00 -1.26 -4.58 105.19 100.99 1t3k n GLY 38 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 1.04 -0.38 1.61 0.09 -1.26 -4.94 115.29 111.45 1t3k s HIS 39 Ca 0.00 -1.94 0.04 0.00 -0.00 0.00 0.00 55.06 53.17 1t3k s HIS 39 Cb 0.00 -1.08 0.32 0.00 -0.00 0.00 0.00 32.58 31.81 1t3k s HIS 39 CO 0.00 -0.82 1.27 1.51 -0.00 0.00 0.00 174.74 176.71 1t3k n ILE 40 N 3.64 0.00 -3.66 0.60 0.13 -1.26 0.14 119.36 118.95 1t3k n ILE 40 Ca 0.16 -0.97 -0.19 0.00 -1.10 0.00 0.00 62.75 60.65 1t3k n ILE 40 Cb 0.39 1.23 -0.17 0.00 -0.84 0.00 0.00 39.64 40.26 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1t3k s ALA 41 N 0.16 0.04 0.00 1.51 0.00 -0.21 -4.25 121.76 119.00 1t3k s ALA 41 Ca 0.22 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1t3k s ALA 41 Cb 0.28 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1t3k s ALA 41 CO -0.15 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.42 1t3k n GLY 42 N 5.31 0.00 0.00 0.00 0.00 -1.25 0.11 105.19 109.37 1t3k n GLY 42 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1t3k n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t3k n SER 43 N -2.10 0.00 -4.04 1.61 2.88 -1.26 -4.67 113.62 106.04 1t3k n SER 43 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1t3k n SER 43 Cb 0.34 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.63 1t3k n SER 43 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1t3k s LEU 44 N 0.00 1.69 0.06 2.46 1.43 -1.01 -4.97 118.68 118.34 1t3k s LEU 44 Ca 0.00 -0.32 0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1t3k s LEU 44 Cb 0.00 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 1t3k s LEU 44 CO 0.00 0.05 -0.23 -1.00 0.23 0.00 0.00 176.35 175.40 1t3k s HIS 45 N 0.61 1.96 -1.24 0.29 3.76 -1.26 -1.00 115.29 118.42 1t3k s HIS 45 Ca -0.15 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 1t3k s HIS 45 Cb -0.16 -1.14 0.00 0.00 1.11 0.00 0.00 32.58 32.39 1t3k s HIS 45 CO 0.04 0.14 0.00 2.48 -0.85 0.00 0.00 174.74 176.55 1t3k n TYR 46 N 1.62 0.00 0.02 1.40 4.11 0.21 -4.93 117.16 119.59 1t3k n TYR 46 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 1t3k n TYR 46 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 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 0.00 2.51 0.00 -3.48 0.00 -1.26 -2.27 120.51 116.00 1t3k n ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t3k n ALA 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1t3k n ALA 47 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t3k n SER 48 N -2.63 0.00 -2.24 0.00 7.64 -1.26 -4.49 113.62 110.64 1t3k n SER 48 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1t3k n SER 48 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1t3k n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3k n GLY 49 N 0.00 -0.43 0.00 0.23 0.00 -1.26 -0.97 105.19 102.76 1t3k n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1t3k n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t3k n SER 50 N -1.29 0.00 0.00 1.61 7.64 -1.26 -4.83 113.62 115.49 1t3k n SER 50 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1t3k n SER 50 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1t3k n SER 50 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1t3k n PHE 51 N 0.00 0.00 -1.46 1.43 3.01 -0.15 -4.49 117.46 115.81 1t3k n PHE 51 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.52 1t3k n PHE 51 Cb 0.00 -0.08 0.09 0.00 -0.01 0.00 0.00 39.48 39.48 1t3k n PHE 51 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1t3k n ASP 52 N 0.22 1.46 -0.00 4.37 2.03 -1.26 -4.63 116.55 118.73 1t3k n ASP 52 Ca 0.00 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.60 1t3k n ASP 52 Cb 0.00 -0.35 -0.00 0.00 -0.72 0.00 0.00 41.12 40.05 1t3k n ASP 52 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1t3k n ASP 53 N -0.86 0.34 -0.02 1.67 2.03 -1.26 -4.69 116.55 113.76 1t3k n ASP 53 Ca 0.10 -0.67 0.05 0.00 0.52 0.00 0.00 54.79 54.80 1t3k n ASP 53 Cb 0.68 0.67 -0.12 0.00 -0.72 0.00 0.00 41.12 41.63 1t3k n ASP 53 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1t3k n LYS 54 N -0.67 0.66 0.00 -0.67 4.76 -1.26 -4.37 118.16 116.61 1t3k n LYS 54 Ca 0.00 -0.12 0.15 0.00 -2.87 0.00 0.00 58.31 55.47 1t3k n LYS 54 Cb 0.00 -1.37 0.68 0.00 -1.84 0.00 0.00 35.03 32.51 1t3k n LYS 54 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1t3k n ILE 55 N -2.12 0.00 0.03 -0.18 -0.00 -1.26 -2.16 119.36 113.66 1t3k n ILE 55 Ca -0.06 -0.09 -0.06 0.00 -0.00 0.00 0.00 62.75 62.53 1t3k n ILE 55 Cb 0.49 -0.04 -0.11 0.00 -0.00 0.00 0.00 39.64 39.97 1t3k n ILE 55 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1t3k h SER 56 N 0.89 0.00 -0.14 4.38 4.64 -1.84 0.45 113.55 121.93 1t3k h SER 56 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1t3k h SER 56 Cb 0.30 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1t3k h SER 56 CO 0.00 0.92 -0.72 -0.74 -0.87 0.00 0.00 176.83 175.41 1t3k h HIS 57 N 0.00 1.00 -0.13 4.77 6.17 -1.75 1.13 115.15 126.33 1t3k h HIS 57 Ca -0.15 -0.44 -0.15 0.00 0.71 0.00 0.00 60.37 60.34 1t3k h HIS 57 Cb 1.83 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 31.60 1t3k h HIS 57 CO 0.00 1.27 -0.55 -0.07 0.71 0.00 0.00 177.93 179.29 1t3k h LEU 58 N 0.44 0.44 -1.05 0.26 3.38 -1.42 -1.56 115.31 115.82 1t3k h LEU 58 Ca -0.05 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1t3k h LEU 58 Cb 1.36 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1t3k h LEU 58 CO 0.15 0.91 -0.03 0.58 0.09 0.00 0.00 178.44 180.13 1t3k h VAL 59 N 0.31 1.23 0.00 1.22 2.07 0.29 -2.04 116.25 119.33 1t3k h VAL 59 Ca 0.00 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1t3k h VAL 59 Cb 1.06 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1t3k h VAL 59 CO 0.09 0.33 -0.07 -0.61 0.02 0.00 0.00 177.57 177.33 1t3k h GLN 60 N 0.61 0.00 0.00 1.57 4.15 0.23 -3.29 115.11 118.38 1t3k h GLN 60 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1t3k h GLN 60 Cb 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1t3k h GLN 60 CO 0.02 0.07 0.00 0.09 -1.93 0.00 0.00 178.83 177.08 1t3k n ASN 61 N -3.57 0.00 -3.02 -0.69 5.03 -0.77 -4.83 115.26 107.41 1t3k n ASN 61 Ca -0.02 0.29 -0.15 0.00 0.87 0.00 0.00 54.58 55.57 1t3k n ASN 61 Cb 0.19 -0.19 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 1t3k n ASN 61 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 1t3k n VAL 62 N -1.06 0.00 0.87 2.41 3.14 -1.20 -4.72 118.33 117.78 1t3k n VAL 62 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1t3k n VAL 62 Cb 0.00 -0.18 0.02 0.00 -1.06 0.00 0.00 33.84 32.62 1t3k n VAL 62 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1t3k n LYS 63 N -2.75 1.22 0.00 1.45 3.00 -1.26 -4.89 118.16 114.93 1t3k n LYS 63 Ca 0.04 -0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1t3k n LYS 63 Cb 0.41 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 33.97 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 0.10 0.00 -4.21 3.14 8.00 -1.26 -4.65 116.55 117.67 1t3k n ASP 64 Ca 0.02 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.19 1t3k n ASP 64 Cb 0.36 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.39 1t3k n ASP 64 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1t3k n LYS 65 N 0.00 1.31 -3.58 -1.24 4.81 -1.26 -4.43 118.16 113.77 1t3k n LYS 65 Ca 0.00 -2.10 -0.05 0.00 -0.87 0.00 0.00 58.31 55.29 1t3k n LYS 65 Cb 0.00 -3.41 -0.07 0.00 0.02 0.00 0.00 35.03 31.57 1t3k n LYS 65 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1t3k s ASP 66 N 6.26 -0.60 -0.09 3.14 -1.08 -1.25 -4.76 116.67 118.29 1t3k s ASP 66 Ca 0.66 1.09 0.04 0.00 -0.52 0.00 0.00 52.55 53.83 1t3k s ASP 66 Cb 0.05 1.71 0.00 0.00 -1.46 0.00 0.00 42.92 43.22 1t3k s ASP 66 CO 0.15 -0.24 -0.22 -0.89 0.52 0.00 0.00 175.17 174.49 1t3k s THR 67 N 2.72 1.91 -0.07 1.71 2.01 1.47 0.23 115.64 125.62 1t3k s THR 67 Ca 0.00 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.09 1t3k s THR 67 Cb -0.13 -1.66 0.01 0.00 0.01 0.00 0.00 72.50 70.74 1t3k s THR 67 CO -0.16 0.53 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.95 1t3k s LEU 68 N 0.33 1.67 -0.16 4.42 1.98 -0.12 -0.22 118.68 126.58 1t3k s LEU 68 Ca -0.17 -0.31 0.01 0.00 -2.89 0.00 0.00 54.13 50.77 1t3k s LEU 68 Cb -0.17 -0.86 0.02 0.00 0.66 0.00 0.00 46.19 45.84 1t3k s LEU 68 CO 0.08 0.04 -0.18 -0.69 -1.89 0.00 0.00 176.35 173.70 1t3k s VAL 69 N 0.65 1.89 0.14 1.68 1.01 -0.76 -0.48 120.40 124.53 1t3k s VAL 69 Ca -0.15 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1t3k s VAL 69 Cb -0.16 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1t3k s VAL 69 CO 0.04 0.51 0.18 0.72 0.00 0.00 0.00 175.10 176.55 1t3k s PHE 70 N 1.28 3.30 -4.64 5.22 -0.12 -0.72 -0.98 117.98 121.32 1t3k s PHE 70 Ca 0.03 0.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.98 1t3k s PHE 70 Cb -0.13 -1.60 0.00 0.00 -0.63 0.00 0.00 43.02 40.65 1t3k s PHE 70 CO -0.11 0.53 0.00 1.58 -0.05 0.00 0.00 175.22 177.17 1t3k n HIS 71 N -0.22 0.00 -0.12 3.49 -0.00 -0.55 -3.50 115.22 114.32 1t3k n HIS 71 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 1t3k n HIS 71 Cb 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 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 -0.14 0.00 0.26 2.88 -1.26 -3.94 113.62 111.42 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 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 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 -1.31 0.91 -1.33 -1.46 0.00 -1.26 -4.94 120.51 111.10 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 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.07 -3.45 0.00 -0.00 -1.26 -4.52 117.00 107.71 1t3k n LEU 74 Ca 0.00 -0.22 -0.18 0.00 -0.00 0.00 0.00 56.01 55.61 1t3k n LEU 74 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 1t3k n LEU 74 CO 0.00 0.61 -0.24 -0.24 -0.00 0.00 0.00 177.39 177.52 1t3k n SER 75 N 0.00 0.31 -0.00 1.96 2.88 -1.26 -4.75 113.62 112.75 1t3k n SER 75 Ca -0.02 -0.70 0.07 0.00 -1.33 0.00 0.00 58.87 56.90 1t3k n SER 75 Cb 0.18 -0.87 -0.10 0.00 -0.75 0.00 0.00 64.21 62.67 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 -2.89 1.03 0.00 -1.46 -0.00 -1.26 -4.87 117.38 107.93 1t3k n GLN 76 Ca -0.15 -0.09 0.00 0.00 -0.00 0.00 0.00 57.00 56.76 1t3k n GLN 76 Cb 0.36 -1.30 0.00 0.00 -0.00 0.00 0.00 30.24 29.30 1t3k n GLN 76 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1t3k n VAL 77 N -1.80 0.00 0.16 -0.39 3.14 -1.26 -4.97 118.33 113.21 1t3k n VAL 77 Ca -0.01 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.41 1t3k n VAL 77 Cb 0.34 0.00 0.17 0.00 -1.06 0.00 0.00 33.84 33.28 1t3k n VAL 77 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1t3k h ARG 78 N 0.00 0.00 0.59 1.45 9.65 -1.95 -2.90 114.38 121.21 1t3k h ARG 78 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1t3k h ARG 78 Cb 0.00 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1t3k h ARG 78 CO 0.00 0.46 -0.49 0.78 2.80 0.00 0.00 179.97 183.52 1t3k h GLY 79 N 2.81 -1.25 2.00 2.80 0.00 -1.93 0.33 103.07 107.84 1t3k h GLY 79 Ca -0.00 0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.86 1t3k h GLY 79 CO 0.06 -0.39 -0.09 -2.55 0.00 0.00 0.00 176.54 173.56 1t3k h PRO 80 N -1.05 0.00 -0.14 4.80 0.11 -1.96 -1.72 132.00 132.04 1t3k h PRO 80 Ca -0.07 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.87 1t3k h PRO 80 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1t3k h PRO 80 CO -0.01 0.09 -0.62 1.15 -0.21 0.00 0.00 178.00 178.40 1t3k h THR 81 N 0.00 1.34 -0.33 -1.15 2.02 -1.13 0.44 112.91 114.10 1t3k h THR 81 Ca -0.00 -1.92 -0.05 0.00 0.77 0.00 0.00 66.41 65.21 1t3k h THR 81 Cb 0.28 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1t3k h THR 81 CO 0.01 0.59 0.02 0.00 0.37 0.00 0.00 175.52 176.51 1t3k h ALA 83 N 0.86 1.14 -0.26 0.00 0.00 -1.35 -1.81 119.26 117.84 1t3k h ALA 83 Ca 0.10 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1t3k h ALA 83 Cb 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1t3k h ALA 83 CO 0.01 0.62 -0.19 0.00 0.00 0.00 0.00 179.25 179.69 1t3k h ARG 84 N 0.00 0.47 -0.33 0.00 -0.00 0.48 -1.57 114.38 113.43 1t3k h ARG 84 Ca -0.00 -0.16 -0.16 0.00 -0.50 0.00 0.00 59.98 59.16 1t3k h ARG 84 Cb 0.90 -0.04 -0.00 0.00 0.00 0.00 0.00 29.97 30.83 1t3k h ARG 84 CO 0.06 0.64 -0.44 0.00 0.00 0.00 0.00 179.97 180.24 1t3k h ARG 85 N 0.42 0.85 -0.51 0.04 3.08 -0.18 0.20 114.38 118.28 1t3k h ARG 85 Ca 0.07 -0.48 0.02 0.00 0.07 0.00 0.00 59.98 59.67 1t3k h ARG 85 Cb 0.58 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 1t3k h ARG 85 CO 0.04 1.11 0.31 1.25 -1.07 0.00 0.00 179.97 181.61 1t3k h LEU 86 N 0.68 0.49 -0.94 3.04 5.85 -0.86 -0.75 115.31 122.82 1t3k h LEU 86 Ca 0.04 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 1t3k h LEU 86 Cb 1.03 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1t3k h LEU 86 CO 0.10 0.35 -0.10 0.58 -0.34 0.00 0.00 178.44 179.03 1t3k h VAL 87 N 0.61 1.24 0.15 1.05 2.07 -1.11 -1.53 116.25 118.72 1t3k h VAL 87 Ca 0.21 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1t3k h VAL 87 Cb 0.02 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1t3k h VAL 87 CO -0.09 0.37 -0.12 -1.13 0.02 0.00 0.00 177.57 176.61 1t3k h ASN 88 N 0.61 -0.33 -0.36 0.57 -1.24 0.79 0.42 115.58 116.04 1t3k h ASN 88 Ca 0.11 0.03 -0.14 0.00 0.71 0.00 0.00 56.30 57.01 1t3k h ASN 88 Cb 0.53 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.68 1t3k h ASN 88 CO 0.03 -0.19 -0.31 0.22 -1.29 0.00 0.00 177.43 175.89 1t3k h TYR 89 N -0.29 1.01 -0.19 0.67 5.03 -1.23 -1.48 116.97 120.49 1t3k h TYR 89 Ca -0.00 -0.29 0.05 0.00 2.58 0.00 0.00 58.73 61.07 1t3k h TYR 89 Cb 0.26 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 1t3k h TYR 89 CO -0.11 1.08 0.13 1.25 -1.32 0.00 0.00 178.16 179.19 1t3k h LEU 90 N 0.65 0.01 -0.21 2.82 5.85 -1.08 0.59 115.31 123.93 1t3k h LEU 90 Ca 0.06 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1t3k h LEU 90 Cb 0.89 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1t3k h LEU 90 CO 0.08 0.01 -0.22 -0.78 -0.34 0.00 0.00 178.44 177.19 1t3k h ASP 91 N 0.01 0.56 0.00 1.25 1.82 0.50 -2.38 116.42 118.19 1t3k h ASP 91 Ca 0.09 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 56.25 1t3k h ASP 91 Cb 0.34 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1t3k h ASP 91 CO -0.00 0.93 -0.00 -0.33 -1.61 0.00 0.00 179.24 178.22 1t3k h GLU 92 N 0.20 0.00 -0.87 0.28 3.07 -0.10 -3.37 114.58 113.80 1t3k h GLU 92 Ca 0.03 0.00 0.23 0.00 -0.50 0.00 0.00 59.36 59.12 1t3k h GLU 92 Cb 0.77 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.54 1t3k h GLU 92 CO 0.05 0.00 0.21 -0.22 -1.40 0.00 0.00 179.01 177.65 1t3k h LYS 93 N -0.13 0.18 -6.33 2.33 1.63 -0.09 -3.46 116.57 110.71 1t3k h LYS 93 Ca 0.00 -0.01 -0.46 0.00 -0.85 0.00 0.00 60.65 59.33 1t3k h LYS 93 Cb 0.00 -0.04 0.06 0.00 -0.60 0.00 0.00 32.23 31.65 1t3k h LYS 93 CO 0.00 0.12 -0.94 1.17 -3.45 0.00 0.00 179.45 176.35 1t3k n LYS 94 N -5.25 -1.48 -3.41 1.90 3.00 -0.90 -4.98 118.16 107.04 1t3k n LYS 94 Ca 0.21 0.41 0.01 0.00 -0.00 0.00 0.00 58.31 58.95 1t3k n LYS 94 Cb 0.67 -4.04 -0.04 0.00 0.00 0.00 0.00 35.03 31.62 1t3k n LYS 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1t3k s GLU 95 N -6.20 0.32 0.35 1.64 2.12 -1.26 -5.11 118.70 110.56 1t3k s GLU 95 Ca 0.40 0.80 0.00 0.00 0.36 0.00 0.00 54.97 56.53 1t3k s GLU 95 Cb -0.15 0.48 0.00 0.00 0.26 0.00 0.00 34.13 34.72 1t3k s GLU 95 CO 0.88 -0.12 0.00 -0.25 -0.54 0.00 0.00 175.26 175.22 1t3k n ASP 96 N 5.05 -8.60 0.00 -1.70 8.00 -1.26 -4.87 116.55 113.16 1t3k n ASP 96 Ca -0.09 0.63 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1t3k n ASP 96 Cb 0.52 -4.42 0.00 0.00 -0.02 0.00 0.00 41.12 37.20 1t3k n ASP 96 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1t3k n THR 97 N -4.25 0.00 0.00 -3.53 5.66 -1.26 -4.99 114.28 105.91 1t3k n THR 97 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1t3k n THR 97 Cb 0.67 -0.64 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 1t3k n THR 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1t3k n GLY 98 N 3.32 2.45 3.82 1.09 0.00 -1.26 -4.62 105.19 109.99 1t3k n GLY 98 Ca 0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 4.81 0.02 -0.61 -5.25 -1.26 -3.34 121.20 115.57 1t3k s ILE 99 Ca 0.00 1.07 -0.12 0.00 -0.99 0.00 0.00 60.65 60.61 1t3k s ILE 99 Cb 0.00 -3.83 -0.33 0.00 2.95 0.00 0.00 42.46 41.25 1t3k s ILE 99 CO 0.00 0.49 0.94 0.50 -1.79 0.00 0.00 174.94 175.07 1t3k h LYS 100 N 4.33 0.44 -2.46 0.37 3.64 0.26 -3.46 116.57 119.68 1t3k h LYS 100 Ca -0.50 -0.75 -0.08 0.00 -1.27 0.00 0.00 60.65 58.05 1t3k h LYS 100 Cb 1.21 0.28 -0.26 0.00 -0.41 0.00 0.00 32.23 33.05 1t3k h LYS 100 CO 0.64 1.35 -0.28 -0.80 -2.27 0.00 0.00 179.45 178.08 1t3k s ASN 101 N -7.40 -0.50 -0.10 4.20 0.01 -1.19 -5.01 114.94 104.95 1t3k s ASN 101 Ca -0.10 1.06 -0.12 0.00 -0.71 0.00 0.00 52.86 52.99 1t3k s ASN 101 Cb 0.05 1.23 -0.05 0.00 0.41 0.00 0.00 41.25 42.89 1t3k s ASN 101 CO 0.91 -0.22 0.28 -0.51 -1.51 0.00 0.00 177.10 176.06 1t3k s ILE 102 N 2.10 5.28 0.22 0.60 2.07 -1.26 -0.95 121.20 129.27 1t3k s ILE 102 Ca -0.06 0.54 0.03 0.00 -1.41 0.00 0.00 60.65 59.75 1t3k s ILE 102 Cb -0.10 -3.59 -0.05 0.00 0.13 0.00 0.00 42.46 38.85 1t3k s ILE 102 CO -0.14 0.51 0.02 -0.04 -1.91 0.00 0.00 174.94 173.37 1t3k s MET 103 N -0.40 1.29 0.04 3.50 -1.94 0.37 -2.22 119.30 119.94 1t3k s MET 103 Ca 0.18 -1.65 0.03 0.00 -1.71 0.00 0.00 55.69 52.54 1t3k s MET 103 Cb -0.14 -0.46 -0.02 0.00 2.01 0.00 0.00 34.83 36.22 1t3k s MET 103 CO 0.07 -0.14 -0.10 -1.50 -0.01 0.00 0.00 175.02 173.34 1t3k s ILE 104 N -3.54 0.76 -0.06 2.53 -1.16 0.77 -1.75 121.20 118.75 1t3k s ILE 104 Ca 0.29 -0.98 -0.29 0.00 -0.51 0.00 0.00 60.65 59.16 1t3k s ILE 104 Cb 0.06 -0.75 -0.02 0.00 0.61 0.00 0.00 42.46 42.36 1t3k s ILE 104 CO 0.08 -0.19 0.98 -0.22 -2.81 0.00 0.00 174.94 172.78 1t3k s LEU 105 N -1.30 4.30 0.28 8.50 1.98 -1.23 -1.73 118.68 129.49 1t3k s LEU 105 Ca -0.04 1.56 -0.27 0.00 -2.89 0.00 0.00 54.13 52.49 1t3k s LEU 105 Cb -0.08 -3.54 -0.09 0.00 0.66 0.00 0.00 46.19 43.14 1t3k s LEU 105 CO 0.01 -0.36 0.92 -1.61 -1.89 0.00 0.00 176.35 173.42 1t3k s GLU 106 N 1.58 4.65 0.00 1.98 0.41 -1.26 -3.95 118.70 122.11 1t3k s GLU 106 Ca 0.49 1.35 0.00 0.00 -0.41 0.00 0.00 54.97 56.40 1t3k s GLU 106 Cb -0.19 -2.98 0.00 0.00 -1.78 0.00 0.00 34.13 29.18 1t3k s GLU 106 CO 0.22 0.38 0.00 -2.13 -0.49 0.00 0.00 175.26 173.23 1t3k n ARG 107 N 0.92 0.00 0.00 1.61 3.00 -1.26 -4.51 116.66 116.41 1t3k n ARG 107 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1t3k n ARG 107 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.95 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 0.00 1.52 0.00 5.14 0.00 -1.25 -4.47 105.19 106.12 1t3k n GLY 108 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1t3k n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t3k n PHE 109 N 0.00 0.00 -0.36 1.61 3.01 -1.26 -3.72 117.46 116.74 1t3k n PHE 109 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.48 1t3k n PHE 109 Cb 0.00 -0.00 0.18 0.00 -0.01 0.00 0.00 39.48 39.65 1t3k n PHE 109 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1t3k h ASN 110 N 0.00 1.03 -0.25 4.37 2.35 -1.94 -0.92 115.58 120.23 1t3k h ASN 110 Ca 0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 1t3k h ASN 110 Cb 0.00 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1t3k h ASN 110 CO 0.00 0.68 -0.24 1.23 -1.65 0.00 0.00 177.43 177.44 1t3k h GLY 111 N 1.18 0.79 0.68 2.83 0.00 -1.83 0.13 103.07 106.85 1t3k h GLY 111 Ca 0.41 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1t3k h GLY 111 CO -0.15 0.62 -0.24 -0.25 0.00 0.00 0.00 176.54 176.51 1t3k h TRP 112 N 0.63 -0.63 -0.21 5.60 7.01 -1.30 0.34 115.95 127.40 1t3k h TRP 112 Ca 0.09 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 1t3k h TRP 112 Cb 0.74 0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 28.00 1t3k h TRP 112 CO 0.04 -0.31 -0.04 1.49 -2.79 0.00 0.00 178.44 176.83 1t3k h GLU 113 N -1.01 0.39 0.03 2.65 4.22 -1.34 1.95 114.58 121.47 1t3k h GLU 113 Ca -0.07 -0.14 -0.00 0.00 0.08 0.00 0.00 59.36 59.23 1t3k h GLU 113 Cb 0.61 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1t3k h GLU 113 CO 0.11 0.62 -0.01 0.00 -2.18 0.00 0.00 179.01 177.55 1t3k h ALA 114 N 0.75 -0.04 -1.14 2.92 0.00 -0.82 -3.38 119.26 117.55 1t3k h ALA 114 Ca 0.05 -0.17 -0.43 0.00 0.00 0.00 0.00 54.91 54.37 1t3k h ALA 114 Cb 0.47 0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.87 1t3k h ALA 114 CO 0.02 -0.35 -1.06 0.45 0.00 0.00 0.00 179.25 178.30 1t3k n SER 115 N -4.95 2.39 0.00 0.00 2.88 0.09 -4.87 113.62 109.15 1t3k n SER 115 Ca -0.08 -3.00 0.00 0.00 -1.33 0.00 0.00 58.87 54.46 1t3k n SER 115 Cb 0.19 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1t3k n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t3k n GLY 116 N -0.19 0.00 2.55 0.46 0.00 -0.80 -4.40 105.19 102.82 1t3k n GLY 116 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 1.01 -0.76 1.61 4.81 0.66 -4.62 118.16 120.86 1t3k n LYS 117 Ca 0.00 -3.77 -0.23 0.00 -0.87 0.00 0.00 58.31 53.44 1t3k n LYS 117 Cb 0.00 -1.89 -0.02 0.00 0.02 0.00 0.00 35.03 33.14 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 2.21 2.06 -3.11 1.64 -0.02 -1.26 -4.84 135.00 131.69 1t3k n PRO 118 Ca 0.26 -1.48 -0.41 0.00 -2.02 0.00 0.00 63.50 59.84 1t3k n PRO 118 Cb 0.43 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.37 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 3.49 4.96 0.84 -1.45 0.11 -1.25 -4.55 120.40 122.55 1t3k s VAL 119 Ca 0.40 1.00 -0.12 0.00 -2.93 0.00 0.00 61.98 60.33 1t3k s VAL 119 Cb 0.10 -3.97 0.12 0.00 -1.53 0.00 0.00 36.38 31.10 1t3k s VAL 119 CO -0.03 -0.06 1.20 0.00 -3.33 0.00 0.00 175.10 172.88 1t3k n ARG 121 N -3.40 0.92 0.00 0.00 0.00 -1.26 -4.23 116.66 108.69 1t3k n ARG 121 Ca 0.11 -3.10 0.00 0.00 -0.00 0.00 0.00 57.85 54.86 1t3k n ARG 121 Cb 0.60 -1.52 0.00 0.00 -0.00 0.00 0.00 32.46 31.54 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 0.72 -3.28 0.00 0.00 -1.26 -5.08 120.51 108.61 1t3k n ALA 123 Ca 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 53.44 53.24 1t3k n ALA 123 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1t3k n ALA 123 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1t3k n GLU 124 N 0.00 0.02 -0.54 0.00 0.28 -1.26 -5.11 120.64 114.02 1t3k n GLU 124 Ca -0.10 -0.16 0.07 0.00 -0.16 0.00 0.00 57.16 56.81 1t3k n GLU 124 Cb 0.41 0.30 -0.02 0.00 1.43 0.00 0.00 31.44 33.57 1t3k n GLU 124 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1t3k n VAL 125 N -0.27 0.00 0.00 3.84 0.31 -1.26 -2.28 118.33 118.68 1t3k n VAL 125 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1t3k n VAL 125 Cb 0.16 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 -2.28 0.00 0.00 5.55 -0.02 -1.26 -4.75 135.00 132.24 1t3k n PRO 126 Ca 0.00 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1t3k n PRO 126 Cb 0.25 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 0.00 0.00 -0.89 0.00 4.01 -1.26 -4.81 118.16 115.21 1t3k n LYS 128 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1t3k n LYS 128 Cb 0.00 -0.03 0.00 0.00 -0.51 0.00 0.00 35.03 34.49 1t3k n LYS 128 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1t3k n GLY 129 N 2.30 0.27 2.80 0.72 0.00 0.31 -4.89 105.19 106.71 1t3k n GLY 129 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.14 0.40 -0.07 1.61 1.01 -0.32 -3.96 116.67 113.20 1t3k s ASP 130 Ca 0.00 0.18 0.09 0.00 0.71 0.00 0.00 52.55 53.54 1t3k s ASP 130 Cb 0.00 0.06 -0.14 0.00 1.01 0.00 0.00 42.92 43.85 1t3k s ASP 130 CO 0.00 -0.19 0.10 0.00 0.21 0.00 0.00 175.17 175.30