#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 0.00 -3.16 3.17 0.00 -1.26 -4.95 120.51 114.31 1t3k n ALA 2 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1t3k n ALA 2 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1t3k n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1t3k n MET 3 N 0.00 -5.25 -1.21 0.00 2.81 -1.26 -4.93 117.12 107.28 1t3k n MET 3 Ca 0.00 0.60 -0.02 0.00 -1.81 0.00 0.00 57.70 56.48 1t3k n MET 3 Cb 0.00 -4.92 -0.02 0.00 -0.71 0.00 0.00 33.22 27.56 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 -3.78 3.03 -2.06 3.04 0.00 -1.26 -4.88 120.51 114.59 1t3k n ALA 4 Ca -0.10 -1.46 0.04 0.00 0.00 0.00 0.00 53.44 51.93 1t3k n ALA 4 Cb 0.58 -0.52 0.08 0.00 0.00 0.00 0.00 19.45 19.59 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 0.23 0.52 0.00 0.00 0.00 -1.26 -5.03 116.66 111.13 1t3k n ARG 5 Ca -0.11 -2.23 0.00 0.00 -0.00 0.00 0.00 57.85 55.51 1t3k n ARG 5 Cb 0.91 -0.63 0.00 0.00 -0.00 0.00 0.00 32.46 32.74 1t3k n ARG 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1t3k n SER 6 N -0.17 0.00 -0.56 2.89 2.88 -1.26 -4.75 113.62 112.64 1t3k n SER 6 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1t3k n SER 6 Cb 0.91 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 1t3k n SER 6 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3k n ILE 7 N 0.00 0.00 -4.00 2.46 0.13 -1.26 -5.09 119.36 111.61 1t3k n ILE 7 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.55 1t3k n ILE 7 Cb 0.00 -1.10 -0.05 0.00 -0.84 0.00 0.00 39.64 37.66 1t3k n ILE 7 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 1t3k s SER 8 N -1.00 0.02 -0.04 9.51 0.01 -1.20 -4.84 113.70 116.17 1t3k s SER 8 Ca 0.00 -1.00 -0.02 0.00 1.31 0.00 0.00 55.95 56.24 1t3k s SER 8 Cb 0.00 0.61 -0.04 0.00 0.21 0.00 0.00 66.02 66.81 1t3k s SER 8 CO 0.00 -1.20 0.09 -0.72 0.41 0.00 0.00 173.24 171.82 1t3k s TYR 9 N -3.81 3.34 -0.06 2.43 -0.85 -1.26 -2.34 117.35 114.81 1t3k s TYR 9 Ca 0.23 0.27 0.03 0.00 -0.52 0.00 0.00 57.07 57.08 1t3k s TYR 9 Cb -0.01 -1.79 0.00 0.00 0.38 0.00 0.00 41.96 40.55 1t3k s TYR 9 CO 0.10 0.58 -0.16 0.42 -1.52 0.00 0.00 175.55 174.97 1t3k s ILE 10 N -1.13 1.39 0.53 -3.49 1.09 -0.99 -4.86 121.20 113.73 1t3k s ILE 10 Ca 0.21 -0.66 0.03 0.00 -1.10 0.00 0.00 60.65 59.13 1t3k s ILE 10 Cb -0.12 -1.22 0.04 0.00 -1.06 0.00 0.00 42.46 40.10 1t3k s ILE 10 CO 0.11 0.41 0.73 -0.89 -0.10 0.00 0.00 174.94 175.20 1t3k s THR 11 N 0.30 2.70 0.27 2.92 2.01 -1.26 -3.75 115.64 118.83 1t3k s THR 11 Ca -0.10 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 1t3k s THR 11 Cb -0.14 -2.93 0.29 0.00 0.01 0.00 0.00 72.50 69.73 1t3k s THR 11 CO 0.04 0.00 1.65 0.28 -0.69 0.00 0.00 174.62 175.90 1t3k h SER 12 N 0.19 -0.06 0.32 3.53 0.02 -2.00 -0.01 113.55 115.54 1t3k h SER 12 Ca -0.41 0.19 -0.23 0.00 -0.84 0.00 0.00 61.79 60.50 1t3k h SER 12 Cb 1.29 0.26 0.01 0.00 0.14 0.00 0.00 62.40 64.10 1t3k h SER 12 CO 0.49 -0.13 -0.98 0.71 -1.14 0.00 0.00 176.83 175.78 1t3k h THR 13 N 0.21 1.39 0.00 -2.27 1.35 -2.02 -3.04 112.91 108.52 1t3k h THR 13 Ca 0.50 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 1t3k h THR 13 Cb 0.96 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1t3k h THR 13 CO -0.63 0.74 0.14 1.56 -0.25 0.00 0.00 175.52 177.08 1t3k h GLN 14 N 0.24 0.00 0.00 4.72 1.08 -1.37 0.93 115.11 120.70 1t3k h GLN 14 Ca -0.09 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.01 1t3k h GLN 14 Cb 1.62 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.04 1t3k h GLN 14 CO 0.17 0.00 -0.49 1.25 -0.95 0.00 0.00 178.83 178.81 1t3k h LEU 15 N 0.00 0.00 0.24 1.46 6.46 -1.31 -3.20 115.31 118.95 1t3k h LEU 15 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1t3k h LEU 15 Cb 0.28 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1t3k h LEU 15 CO 0.00 0.49 -0.16 0.25 -0.62 0.00 0.00 178.44 178.39 1t3k h LEU 16 N 0.00 -0.42 -0.18 2.25 7.12 0.76 -2.35 115.31 122.50 1t3k h LEU 16 Ca -0.00 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.04 1t3k h LEU 16 Cb 1.13 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.39 1t3k h LEU 16 CO 0.06 -0.26 0.00 -2.65 -0.13 0.00 0.00 178.44 175.46 1t3k n PRO 17 N -5.29 0.07 0.01 5.25 -0.02 -1.24 -2.98 135.00 130.80 1t3k n PRO 17 Ca -0.09 0.25 0.06 0.00 -2.02 0.00 0.00 63.50 61.70 1t3k n PRO 17 Cb 0.20 -1.62 0.24 0.00 -0.02 0.00 0.00 33.50 32.31 1t3k n PRO 17 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1t3k n LEU 18 N -1.75 0.05 -0.50 2.45 4.77 -0.88 -3.42 117.00 117.73 1t3k n LEU 18 Ca 0.04 0.52 0.43 0.00 -0.03 0.00 0.00 56.01 56.97 1t3k n LEU 18 Cb 0.23 -0.51 0.73 0.00 -2.33 0.00 0.00 43.42 41.54 1t3k n LEU 18 CO 0.19 -0.35 1.40 -0.74 -1.33 0.00 0.00 177.39 176.55 1t3k h HIS 19 N 0.00 0.00 -0.81 -1.77 2.76 -1.64 1.07 115.15 114.75 1t3k h HIS 19 Ca 0.00 0.00 -0.48 0.00 -2.20 0.00 0.00 60.37 57.69 1t3k h HIS 19 Cb 0.18 0.00 -0.24 0.00 1.55 0.00 0.00 27.41 28.90 1t3k h HIS 19 CO 0.00 0.00 0.61 0.54 -1.30 0.00 0.00 177.93 177.78 1t3k n ARG 20 N -3.82 2.16 -3.19 5.26 1.74 -1.22 -4.51 116.66 113.08 1t3k n ARG 20 Ca 0.35 -2.54 -0.20 0.00 -0.77 0.00 0.00 57.85 54.69 1t3k n ARG 20 Cb 1.71 -2.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.11 1t3k n ARG 20 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1t3k n ARG 21 N -0.68 0.92 -1.25 5.56 1.74 0.37 -5.03 116.66 118.29 1t3k n ARG 21 Ca 0.50 -3.35 -0.42 0.00 -0.77 0.00 0.00 57.85 53.81 1t3k n ARG 21 Cb 1.11 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.91 1t3k n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1t3k n PRO 22 N 0.57 1.51 -2.66 5.56 -0.04 -1.26 -4.18 135.00 134.50 1t3k n PRO 22 Ca 0.24 -1.91 -0.03 0.00 -0.04 0.00 0.00 63.50 61.75 1t3k n PRO 22 Cb 0.62 -3.00 0.10 0.00 -0.04 0.00 0.00 33.50 31.19 1t3k n PRO 22 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1t3k n ASN 23 N 8.19 -1.16 -4.03 3.54 5.15 -1.26 -4.96 115.26 120.73 1t3k n ASN 23 Ca 0.49 -1.72 -0.12 0.00 -0.60 0.00 0.00 54.58 52.63 1t3k n ASN 23 Cb 0.41 0.95 -0.12 0.00 -0.53 0.00 0.00 39.78 40.50 1t3k n ASN 23 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1t3k s ILE 24 N 0.04 0.41 -0.15 -1.44 -4.36 -1.26 -1.63 121.20 112.82 1t3k s ILE 24 Ca 0.22 -0.96 -0.25 0.00 -0.26 0.00 0.00 60.65 59.41 1t3k s ILE 24 Cb 0.27 -0.49 0.06 0.00 1.25 0.00 0.00 42.46 43.55 1t3k s ILE 24 CO -0.17 -0.37 0.62 0.00 0.24 0.00 0.00 174.94 175.26 1t3k s ALA 25 N -1.29 -1.57 -0.33 2.27 0.00 0.25 -4.89 121.76 116.21 1t3k s ALA 25 Ca -0.11 1.47 -0.10 0.00 0.00 0.00 0.00 51.96 53.22 1t3k s ALA 25 Cb -0.09 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1t3k s ALA 25 CO -0.00 -0.32 0.17 0.42 0.00 0.00 0.00 175.76 176.02 1t3k s ILE 26 N -0.41 4.61 -0.09 0.00 1.01 -1.26 -0.77 121.20 124.30 1t3k s ILE 26 Ca -0.06 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 1t3k s ILE 26 Cb -0.03 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 1t3k s ILE 26 CO 0.05 -0.00 0.22 -0.51 0.00 0.00 0.00 174.94 174.69 1t3k s ILE 27 N 1.60 5.37 0.14 2.92 2.07 0.35 -0.21 121.20 133.44 1t3k s ILE 27 Ca 0.04 0.40 0.05 0.00 -1.41 0.00 0.00 60.65 59.72 1t3k s ILE 27 Cb -0.18 -3.49 -0.04 0.00 0.13 0.00 0.00 42.46 38.88 1t3k s ILE 27 CO 0.06 0.60 -0.11 1.51 -1.91 0.00 0.00 174.94 175.09 1t3k s ASP 28 N -0.98 1.82 -0.70 4.50 -4.77 -1.13 -1.99 116.67 113.42 1t3k s ASP 28 Ca 0.17 -0.95 -0.16 0.00 -3.30 0.00 0.00 52.55 48.31 1t3k s ASP 28 Cb -0.13 -0.02 0.16 0.00 -1.09 0.00 0.00 42.92 41.83 1t3k s ASP 28 CO 0.07 -0.28 0.72 0.54 0.70 0.00 0.00 175.17 176.91 1t3k s VAL 29 N -2.99 5.21 0.00 2.11 0.11 -1.26 -3.64 120.40 119.94 1t3k s VAL 29 Ca 0.14 -1.75 0.00 0.00 -2.93 0.00 0.00 61.98 57.45 1t3k s VAL 29 Cb 0.00 -4.47 0.00 0.00 -1.53 0.00 0.00 36.38 30.38 1t3k s VAL 29 CO 0.01 -1.06 0.00 -2.11 -3.33 0.00 0.00 175.10 168.61 1t3k n ARG 30 N 5.19 0.00 0.00 1.54 0.00 -0.79 -4.71 116.66 117.89 1t3k n ARG 30 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 1t3k n ARG 30 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.90 1t3k n ARG 30 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1t3k n ASP 31 N 0.00 0.00 -2.06 2.89 5.68 0.60 -4.67 116.55 118.99 1t3k n ASP 31 Ca 0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.14 1t3k n ASP 31 Cb 0.00 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.22 1t3k n ASP 31 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1t3k n GLU 32 N 0.00 2.86 0.33 0.11 0.00 -1.26 -4.43 120.64 118.25 1t3k n GLU 32 Ca 0.00 -3.06 0.13 0.00 0.00 0.00 0.00 57.16 54.23 1t3k n GLU 32 Cb 0.00 -2.17 0.70 0.00 0.00 0.00 0.00 31.44 29.97 1t3k n GLU 32 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1t3k h GLU 33 N 1.71 0.00 0.00 3.44 4.57 -1.89 0.61 114.58 123.02 1t3k h GLU 33 Ca 0.46 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.63 1t3k h GLU 33 Cb 2.58 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 31.17 1t3k h GLU 33 CO 0.91 0.00 -0.01 -0.09 -1.18 0.00 0.00 179.01 178.63 1t3k h ARG 34 N 0.00 0.00 -0.08 1.92 2.43 -1.95 -1.46 114.38 115.25 1t3k h ARG 34 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1t3k h ARG 34 Cb 0.85 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1t3k h ARG 34 CO 0.00 0.01 0.05 -0.97 -1.51 0.00 0.00 179.97 177.55 1t3k h ASN 35 N 0.00 0.09 0.31 -3.80 -0.00 -0.15 -3.14 115.58 108.89 1t3k h ASN 35 Ca -0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 56.30 56.24 1t3k h ASN 35 Cb 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.35 1t3k h ASN 35 CO 0.00 0.11 -0.15 1.88 -0.00 0.00 0.00 177.43 179.28 1t3k h TYR 36 N 0.06 -0.38 0.00 0.67 -1.99 -1.49 -3.47 116.97 110.36 1t3k h TYR 36 Ca 0.03 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1t3k h TYR 36 Cb 0.04 0.13 0.00 0.00 2.00 0.00 0.00 36.73 38.90 1t3k h TYR 36 CO -0.06 -0.04 0.00 -0.40 -0.00 0.00 0.00 178.16 177.66 1t3k n ASP 37 N -5.12 0.00 -1.47 3.88 5.75 -0.64 -4.98 116.55 113.98 1t3k n ASP 37 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 1t3k n ASP 37 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 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 0.00 -3.04 3.24 6.12 0.00 -1.26 -4.99 105.19 105.25 1t3k n GLY 38 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.98 1.28 -0.00 1.61 0.09 -1.26 -4.81 115.29 108.21 1t3k s HIS 39 Ca 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 55.06 53.76 1t3k s HIS 39 Cb 0.00 -0.67 0.00 0.00 -0.00 0.00 0.00 32.58 31.91 1t3k s HIS 39 CO 0.00 -0.53 0.00 1.51 -0.00 0.00 0.00 174.74 175.72 1t3k n ILE 40 N -0.33 -0.00 -3.86 0.60 3.06 -1.26 -4.33 119.36 113.24 1t3k n ILE 40 Ca 0.01 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.14 1t3k n ILE 40 Cb 0.66 -0.01 -0.12 0.00 0.54 0.00 0.00 39.64 40.71 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1t3k s ALA 41 N -1.79 -0.23 0.00 1.51 0.00 0.42 -3.98 121.76 117.69 1t3k s ALA 41 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1t3k s ALA 41 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1t3k s ALA 41 CO 0.00 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1t3k n GLY 42 N 2.56 1.00 1.77 0.00 0.00 -1.13 -1.63 105.19 107.77 1t3k n GLY 42 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1t3k n GLY 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t3k n SER 43 N 0.00 -9.14 -4.78 1.61 3.41 -1.26 -4.75 113.62 98.71 1t3k n SER 43 Ca 0.00 1.34 -0.34 0.00 -0.26 0.00 0.00 58.87 59.61 1t3k n SER 43 Cb 0.00 -5.24 0.02 0.00 -0.26 0.00 0.00 64.21 58.73 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 -3.19 3.57 -0.21 1.04 1.43 0.71 -4.94 118.68 117.09 1t3k s LEU 44 Ca 0.00 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.13 1t3k s LEU 44 Cb 0.00 -4.56 0.04 0.00 0.03 0.00 0.00 46.19 41.70 1t3k s LEU 44 CO 0.00 -1.33 -0.15 -1.38 0.23 0.00 0.00 176.35 173.72 1t3k s HIS 45 N -2.14 2.86 0.43 0.29 -3.43 -1.26 -2.83 115.29 109.21 1t3k s HIS 45 Ca 0.68 -1.85 0.04 0.00 -0.80 0.00 0.00 55.06 53.13 1t3k s HIS 45 Cb -0.20 -1.86 -0.01 0.00 -1.43 0.00 0.00 32.58 29.07 1t3k s HIS 45 CO 0.34 -0.82 0.14 2.48 -2.00 0.00 0.00 174.74 174.88 1t3k n TYR 46 N 4.57 0.22 -4.26 0.38 4.11 -1.24 -4.88 117.16 116.06 1t3k n TYR 46 Ca -0.17 -2.71 -0.14 0.00 -0.00 0.00 0.00 57.90 54.88 1t3k n TYR 46 Cb 0.47 -0.03 -0.04 0.00 -0.00 0.00 0.00 39.34 39.73 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 -1.02 0.37 -1.08 -3.48 0.00 -1.26 0.22 120.51 114.26 1t3k n ALA 47 Ca -0.17 -1.22 0.01 0.00 0.00 0.00 0.00 53.44 52.06 1t3k n ALA 47 Cb 0.64 0.86 0.29 0.00 0.00 0.00 0.00 19.45 21.24 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 -1.87 4.27 0.04 0.00 7.64 -1.26 -3.82 113.62 118.63 1t3k n SER 48 Ca -0.01 -3.21 0.02 0.00 1.01 0.00 0.00 58.87 56.68 1t3k n SER 48 Cb 0.36 -0.66 -0.07 0.00 -1.01 0.00 0.00 64.21 62.84 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 -0.34 -1.25 2.77 0.23 0.00 -1.26 -4.39 105.19 100.95 1t3k n GLY 49 Ca 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.84 0.40 0.25 1.61 2.88 -1.26 -4.93 113.62 109.73 1t3k n SER 50 Ca -0.08 -2.14 0.17 0.00 -1.33 0.00 0.00 58.87 55.48 1t3k n SER 50 Cb 0.78 -0.03 0.77 0.00 -0.75 0.00 0.00 64.21 64.98 1t3k n SER 50 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1t3k h PHE 51 N 2.06 0.00 -1.00 0.66 -0.00 -1.77 0.28 116.94 117.17 1t3k h PHE 51 Ca -0.25 0.00 -0.62 0.00 -0.00 0.00 0.00 57.97 57.10 1t3k h PHE 51 Cb 1.28 0.00 -0.30 0.00 -0.00 0.00 0.00 35.95 36.93 1t3k h PHE 51 CO 0.29 0.00 0.80 -0.25 -0.00 0.00 0.00 178.31 179.15 1t3k n ASP 52 N -3.15 6.23 0.00 -0.68 9.92 -1.26 -4.23 116.55 123.38 1t3k n ASP 52 Ca 0.01 -3.72 0.00 0.00 -0.53 0.00 0.00 54.79 50.55 1t3k n ASP 52 Cb 0.49 -0.93 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 1t3k n ASP 52 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1t3k n ASP 53 N -1.01 0.12 -0.42 -2.24 2.03 0.97 -4.81 116.55 111.20 1t3k n ASP 53 Ca 0.62 -0.44 0.04 0.00 0.52 0.00 0.00 54.79 55.53 1t3k n ASP 53 Cb 1.04 0.27 0.10 0.00 -0.72 0.00 0.00 41.12 41.82 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 -0.27 2.76 0.00 -0.67 4.01 -1.26 -4.43 118.16 118.29 1t3k n LYS 54 Ca 0.00 -1.82 0.11 0.00 -0.51 0.00 0.00 58.31 56.09 1t3k n LYS 54 Cb 0.05 -1.18 -0.15 0.00 -0.51 0.00 0.00 35.03 33.24 1t3k n LYS 54 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1t3k n ILE 55 N 0.19 0.06 -0.06 -0.18 2.08 -1.26 -2.45 119.36 117.75 1t3k n ILE 55 Ca 0.08 -0.47 -0.14 0.00 0.56 0.00 0.00 62.75 62.77 1t3k n ILE 55 Cb 0.36 0.03 -0.13 0.00 -0.75 0.00 0.00 39.64 39.15 1t3k n ILE 55 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1t3k h SER 56 N 0.00 0.03 -0.81 4.38 0.87 -1.91 0.28 113.55 116.40 1t3k h SER 56 Ca 0.00 -0.92 -0.01 0.00 -1.23 0.00 0.00 61.79 59.63 1t3k h SER 56 Cb 0.96 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.87 1t3k h SER 56 CO 0.00 0.96 0.48 -0.74 -0.53 0.00 0.00 176.83 176.99 1t3k h HIS 57 N -0.88 1.08 0.00 2.24 -0.00 -1.78 0.44 115.15 116.25 1t3k h HIS 57 Ca -0.01 -0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.19 1t3k h HIS 57 Cb 0.97 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 28.00 1t3k h HIS 57 CO 0.25 0.72 -0.76 -0.07 -0.00 0.00 0.00 177.93 178.07 1t3k h LEU 58 N 1.12 0.00 -0.85 0.26 3.38 -1.51 -1.54 115.31 116.17 1t3k h LEU 58 Ca 0.29 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 1t3k h LEU 58 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1t3k h LEU 58 CO -0.05 0.76 -0.25 0.58 0.09 0.00 0.00 178.44 179.57 1t3k h VAL 59 N 0.00 1.27 0.00 1.22 2.07 0.14 -3.31 116.25 117.65 1t3k h VAL 59 Ca -0.01 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 1t3k h VAL 59 Cb 1.53 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1t3k h VAL 59 CO 0.10 0.42 -0.03 0.06 0.02 0.00 0.00 177.57 178.15 1t3k h GLN 60 N 0.49 0.00 -2.29 1.57 3.07 -0.14 -3.35 115.11 114.46 1t3k h GLN 60 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.76 1t3k h GLN 60 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.24 1t3k h GLN 60 CO 0.05 0.45 -0.05 0.27 0.09 0.00 0.00 178.83 179.65 1t3k n ASN 61 N -4.70 -0.75 0.00 0.06 0.23 -0.59 -1.11 115.26 108.41 1t3k n ASN 61 Ca -0.05 0.11 0.00 0.00 -0.53 0.00 0.00 54.58 54.11 1t3k n ASN 61 Cb 0.22 -1.06 0.00 0.00 -2.08 0.00 0.00 39.78 36.87 1t3k n ASN 61 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1t3k n VAL 62 N -1.37 0.00 -2.66 3.53 0.31 -1.26 -4.71 118.33 112.17 1t3k n VAL 62 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.26 1t3k n VAL 62 Cb 0.14 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.14 1t3k n VAL 62 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1t3k n LYS 63 N -1.93 0.07 0.00 5.55 3.00 -0.27 -5.03 118.16 119.55 1t3k n LYS 63 Ca 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 58.31 57.69 1t3k n LYS 63 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 35.03 34.97 1t3k n LYS 63 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1t3k n ASP 64 N 1.69 0.00 -2.57 3.14 -0.08 -1.16 -4.72 116.55 112.85 1t3k n ASP 64 Ca 0.03 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.09 1t3k n ASP 64 Cb 0.70 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 44.07 1t3k n ASP 64 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1t3k n LYS 65 N 0.00 0.00 -3.49 -0.67 4.01 -1.26 -4.57 118.16 112.18 1t3k n LYS 65 Ca 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.77 1t3k n LYS 65 Cb 0.00 -0.81 -0.05 0.00 -0.51 0.00 0.00 35.03 33.66 1t3k n LYS 65 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1t3k s ASP 66 N 4.31 -0.80 -0.09 4.39 2.15 -1.26 -4.88 116.67 120.49 1t3k s ASP 66 Ca 0.77 1.09 0.04 0.00 0.43 0.00 0.00 52.55 54.88 1t3k s ASP 66 Cb -0.68 1.88 0.00 0.00 -0.30 0.00 0.00 42.92 43.82 1t3k s ASP 66 CO 0.29 -0.24 -0.21 0.42 -0.17 0.00 0.00 175.17 175.26 1t3k s THR 67 N 2.77 1.78 -0.09 1.71 -4.23 -0.65 0.25 115.64 117.18 1t3k s THR 67 Ca 0.04 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 1t3k s THR 67 Cb -0.13 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.16 1t3k s THR 67 CO -0.18 0.50 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.42 1t3k s LEU 68 N 0.40 2.02 -0.18 4.79 1.43 -0.77 -0.58 118.68 125.80 1t3k s LEU 68 Ca -0.17 -0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 52.38 1t3k s LEU 68 Cb -0.17 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 1t3k s LEU 68 CO 0.07 0.14 -0.06 0.54 0.23 0.00 0.00 176.35 177.27 1t3k s VAL 69 N 0.39 3.52 0.12 -1.59 0.11 0.05 -0.38 120.40 122.62 1t3k s VAL 69 Ca -0.18 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.42 1t3k s VAL 69 Cb -0.18 -2.55 -0.04 0.00 -1.53 0.00 0.00 36.38 32.08 1t3k s VAL 69 CO 0.08 0.47 0.22 -0.36 -3.33 0.00 0.00 175.10 172.18 1t3k s PHE 70 N 0.79 3.41 0.00 1.54 0.40 -0.71 -0.49 117.98 122.92 1t3k s PHE 70 Ca -0.02 0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 1t3k s PHE 70 Cb -0.15 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.72 1t3k s PHE 70 CO 0.02 0.54 0.00 0.72 0.70 0.00 0.00 175.22 177.19 1t3k n HIS 71 N -0.20 0.00 0.00 0.36 8.25 -0.84 -3.89 115.22 118.90 1t3k n HIS 71 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1t3k n HIS 71 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 1t3k n HIS 71 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1t3k n SER 72 N 0.00 0.00 -0.17 0.41 3.41 -1.26 -2.83 113.62 113.19 1t3k n SER 72 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1t3k n SER 72 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1t3k n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t3k h ALA 73 N -0.30 -0.65 0.00 7.33 0.00 -1.90 -3.32 119.26 120.43 1t3k h ALA 73 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1t3k h ALA 73 Cb 0.00 1.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1t3k h ALA 73 CO 0.00 -0.89 -0.90 -0.11 0.00 0.00 0.00 179.25 177.34 1t3k n LEU 74 N -4.89 1.87 -0.65 0.00 7.94 -1.13 -4.84 117.00 115.30 1t3k n LEU 74 Ca -0.02 0.50 -0.08 0.00 -1.11 0.00 0.00 56.01 55.29 1t3k n LEU 74 Cb 0.27 -0.84 -0.04 0.00 0.53 0.00 0.00 43.42 43.34 1t3k n LEU 74 CO -0.03 -0.25 -0.08 -1.20 -1.11 0.00 0.00 177.39 174.73 1t3k n SER 75 N -4.52 -5.11 0.00 1.96 7.64 -1.25 -4.86 113.62 107.48 1t3k n SER 75 Ca -0.16 0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1t3k n SER 75 Cb 0.44 -3.36 0.00 0.00 -1.01 0.00 0.00 64.21 60.28 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 -1.30 0.00 0.00 1.43 1.13 -1.26 -4.93 117.38 112.45 1t3k n GLN 76 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1t3k n GLN 76 Cb 0.46 -0.05 0.00 0.00 0.11 0.00 0.00 30.24 30.76 1t3k n GLN 76 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1t3k n VAL 77 N -1.21 0.00 0.14 5.09 0.31 -1.26 -4.83 118.33 116.57 1t3k n VAL 77 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 1t3k n VAL 77 Cb 0.00 1.82 0.07 0.00 -0.91 0.00 0.00 33.84 34.82 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 0.00 0.00 -0.80 5.55 2.47 -1.96 -3.34 114.38 116.30 1t3k h ARG 78 Ca 0.00 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.86 1t3k h ARG 78 Cb 0.45 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 28.63 1t3k h ARG 78 CO 0.00 0.55 -0.33 0.78 0.56 0.00 0.00 179.97 181.53 1t3k h GLY 79 N 3.13 0.10 0.47 0.04 0.00 -1.88 0.90 103.07 105.84 1t3k h GLY 79 Ca -0.01 0.44 0.13 0.00 0.00 0.00 0.00 47.33 47.90 1t3k h GLY 79 CO 0.07 -0.23 0.61 -2.55 0.00 0.00 0.00 176.54 174.44 1t3k h PRO 80 N -0.07 0.85 -0.28 4.80 0.11 -1.91 0.58 132.00 136.08 1t3k h PRO 80 Ca 0.31 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.34 1t3k h PRO 80 Cb 0.58 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1t3k h PRO 80 CO -0.84 0.56 0.02 1.15 -0.21 0.00 0.00 178.00 178.68 1t3k h THR 81 N 0.88 1.16 -0.25 -1.15 2.02 0.50 -0.72 112.91 115.34 1t3k h THR 81 Ca 0.48 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 67.08 1t3k h THR 81 Cb 0.59 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1t3k h THR 81 CO -0.25 0.21 0.12 0.00 0.37 0.00 0.00 175.52 175.97 1t3k h ALA 83 N 1.13 1.33 -0.55 0.00 0.00 -0.63 0.59 119.26 121.13 1t3k h ALA 83 Ca 0.10 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1t3k h ALA 83 Cb 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1t3k h ALA 83 CO -0.07 0.49 0.36 0.00 0.00 0.00 0.00 179.25 180.03 1t3k h ARG 84 N 0.74 0.56 -0.68 0.00 3.08 0.14 0.77 114.38 118.99 1t3k h ARG 84 Ca 0.17 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 1t3k h ARG 84 Cb 0.22 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1t3k h ARG 84 CO -0.01 0.37 0.21 -0.09 -1.07 0.00 0.00 179.97 179.38 1t3k h ARG 85 N 0.58 1.06 -0.96 0.04 2.43 0.13 0.17 114.38 117.83 1t3k h ARG 85 Ca 0.23 -0.23 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1t3k h ARG 85 Cb 0.17 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 1t3k h ARG 85 CO -0.06 0.92 0.63 1.25 -1.51 0.00 0.00 179.97 181.20 1t3k h LEU 86 N 0.99 1.02 -1.03 3.80 7.12 -0.29 0.29 115.31 127.21 1t3k h LEU 86 Ca 0.22 -0.00 -0.07 0.00 0.13 0.00 0.00 57.88 58.15 1t3k h LEU 86 Cb 0.31 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.20 1t3k h LEU 86 CO -0.01 0.67 -0.10 0.58 -0.13 0.00 0.00 178.44 179.45 1t3k h VAL 87 N 1.16 1.24 0.19 1.05 2.07 -0.34 -1.88 116.25 119.74 1t3k h VAL 87 Ca 0.40 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1t3k h VAL 87 Cb 0.09 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1t3k h VAL 87 CO -0.14 0.34 -0.16 -1.13 0.02 0.00 0.00 177.57 176.51 1t3k h ASN 88 N 0.53 -0.41 -0.20 0.57 -1.24 0.25 0.43 115.58 115.51 1t3k h ASN 88 Ca 0.10 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 1t3k h ASN 88 Cb 0.50 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.68 1t3k h ASN 88 CO 0.03 -0.25 0.06 0.22 -1.29 0.00 0.00 177.43 176.21 1t3k h TYR 89 N -0.36 0.33 -0.74 0.67 5.03 -1.25 -0.33 116.97 120.32 1t3k h TYR 89 Ca -0.01 -0.03 0.14 0.00 2.58 0.00 0.00 58.73 61.42 1t3k h TYR 89 Cb 0.33 -0.09 -0.05 0.00 1.55 0.00 0.00 36.73 38.47 1t3k h TYR 89 CO -0.12 0.40 0.50 -0.07 -1.32 0.00 0.00 178.16 177.54 1t3k h LEU 90 N 0.16 0.38 -0.82 2.82 4.07 -1.13 0.61 115.31 121.40 1t3k h LEU 90 Ca 0.07 0.02 -0.12 0.00 0.08 0.00 0.00 57.88 57.92 1t3k h LEU 90 Cb 0.23 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 1t3k h LEU 90 CO -0.00 0.20 -0.50 -0.78 -1.08 0.00 0.00 178.44 176.28 1t3k h ASP 91 N 0.41 0.24 1.12 -0.43 1.82 0.77 1.07 116.42 121.42 1t3k h ASP 91 Ca 0.36 -0.12 -0.10 0.00 -0.39 0.00 0.00 57.03 56.78 1t3k h ASP 91 Cb 0.83 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.75 1t3k h ASP 91 CO -0.11 0.70 -0.49 -0.08 -1.61 0.00 0.00 179.24 177.65 1t3k h GLU 92 N 0.18 0.00 0.00 0.28 4.81 0.19 -3.41 114.58 116.62 1t3k h GLU 92 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1t3k h GLU 92 Cb 0.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1t3k h GLU 92 CO 0.08 0.49 -0.41 1.63 -0.73 0.00 0.00 179.01 180.07 1t3k n LYS 93 N -3.39 0.00 -2.87 1.92 4.76 -0.29 -5.02 118.16 113.27 1t3k n LYS 93 Ca 0.01 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1t3k n LYS 93 Cb 0.64 -0.29 -0.00 0.00 -1.84 0.00 0.00 35.03 33.54 1t3k n LYS 93 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1t3k n LYS 94 N -3.00 -2.86 -1.33 1.97 2.85 0.37 -4.78 118.16 111.39 1t3k n LYS 94 Ca 0.00 0.50 0.02 0.00 -1.05 0.00 0.00 58.31 57.78 1t3k n LYS 94 Cb 0.20 -5.14 0.00 0.00 -0.65 0.00 0.00 35.03 29.45 1t3k n LYS 94 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1t3k n GLU 95 N -3.22 0.00 -2.71 -1.58 0.00 -1.26 -4.97 120.64 106.90 1t3k n GLU 95 Ca -0.08 -1.74 -0.04 0.00 0.00 0.00 0.00 57.16 55.31 1t3k n GLU 95 Cb 0.57 0.03 0.03 0.00 0.00 0.00 0.00 31.44 32.07 1t3k n GLU 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1t3k n ASP 96 N 0.38 -2.20 -4.42 4.31 8.00 -1.26 -5.16 116.55 116.19 1t3k n ASP 96 Ca 0.00 -1.90 -0.29 0.00 0.71 0.00 0.00 54.79 53.32 1t3k n ASP 96 Cb 1.04 1.16 0.21 0.00 -0.02 0.00 0.00 41.12 43.50 1t3k n ASP 96 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1t3k s THR 97 N 0.80 1.89 0.00 -3.53 -4.23 -1.26 -4.93 115.64 104.37 1t3k s THR 97 Ca 0.27 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1t3k s THR 97 Cb 0.11 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1t3k s THR 97 CO -0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1t3k n GLY 98 N -0.62 0.10 3.77 3.99 0.00 -1.26 -4.76 105.19 106.42 1t3k n GLY 98 Ca 0.06 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1t3k n GLY 98 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1t3k s ILE 99 N -1.12 2.69 -0.26 -0.61 -4.36 -1.26 -4.30 121.20 111.97 1t3k s ILE 99 Ca 0.00 0.69 -0.10 0.00 -0.26 0.00 0.00 60.65 60.98 1t3k s ILE 99 Cb 0.00 -3.44 -0.12 0.00 1.25 0.00 0.00 42.46 40.15 1t3k s ILE 99 CO 0.00 0.16 -0.31 1.17 0.24 0.00 0.00 174.94 176.20 1t3k n LYS 100 N 0.74 0.57 -3.67 0.37 0.00 0.69 -4.94 118.16 111.93 1t3k n LYS 100 Ca 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 58.31 58.45 1t3k n LYS 100 Cb 0.42 -1.45 -0.09 0.00 0.00 0.00 0.00 35.03 33.91 1t3k n LYS 100 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1t3k s ASN 101 N -7.13 -0.56 -0.15 3.14 0.02 -1.12 -5.00 114.94 104.13 1t3k s ASN 101 Ca -0.36 1.11 -0.08 0.00 -1.02 0.00 0.00 52.86 52.52 1t3k s ASN 101 Cb 0.13 1.29 -0.04 0.00 0.02 0.00 0.00 41.25 42.65 1t3k s ASN 101 CO 0.49 -0.22 0.11 0.27 0.02 0.00 0.00 177.10 177.77 1t3k s ILE 102 N 2.12 5.25 0.39 0.60 -4.36 -1.26 -1.85 121.20 122.09 1t3k s ILE 102 Ca -0.06 0.12 0.05 0.00 -0.26 0.00 0.00 60.65 60.50 1t3k s ILE 102 Cb -0.10 -3.33 -0.07 0.00 1.25 0.00 0.00 42.46 40.22 1t3k s ILE 102 CO -0.15 0.54 0.03 0.00 0.24 0.00 0.00 174.94 175.60 1t3k s MET 103 N -0.35 1.87 -0.10 0.37 0.23 0.49 -3.23 119.30 118.58 1t3k s MET 103 Ca 0.11 -2.07 -0.00 0.00 -1.03 0.00 0.00 55.69 52.70 1t3k s MET 103 Cb -0.12 -1.33 0.02 0.00 -1.53 0.00 0.00 34.83 31.87 1t3k s MET 103 CO 0.01 -0.13 -0.06 -1.50 -2.03 0.00 0.00 175.02 171.31 1t3k s ILE 104 N -2.94 0.87 0.24 3.16 -1.16 -0.99 -1.74 121.20 118.64 1t3k s ILE 104 Ca 0.33 -0.21 -0.30 0.00 -0.51 0.00 0.00 60.65 59.96 1t3k s ILE 104 Cb 0.09 -0.90 -0.09 0.00 0.61 0.00 0.00 42.46 42.16 1t3k s ILE 104 CO 0.16 0.33 1.01 -1.48 -2.81 0.00 0.00 174.94 172.16 1t3k s LEU 105 N 1.61 4.59 0.00 8.50 -0.00 -1.25 -2.36 118.68 129.77 1t3k s LEU 105 Ca 0.02 2.07 0.17 0.00 -0.00 0.00 0.00 54.13 56.39 1t3k s LEU 105 Cb -0.13 -3.61 0.65 0.00 -0.00 0.00 0.00 46.19 43.09 1t3k s LEU 105 CO -0.06 -0.00 1.47 -0.62 -0.00 0.00 0.00 176.35 177.14 1t3k n GLU 106 N 1.56 1.65 0.00 1.48 -0.58 -1.25 -4.51 120.64 119.00 1t3k n GLU 106 Ca -0.01 -0.99 0.00 0.00 -0.42 0.00 0.00 57.16 55.74 1t3k n GLU 106 Cb 0.46 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 1t3k n GLU 106 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1t3k n ARG 107 N 0.23 0.00 0.00 3.49 0.00 -1.26 -5.07 116.66 114.05 1t3k n ARG 107 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 1t3k n ARG 107 Cb 0.28 -0.12 0.00 0.00 -0.00 0.00 0.00 32.46 32.62 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 -0.30 0.53 0.00 2.89 0.00 -1.26 -2.23 105.19 104.82 1t3k n GLY 108 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.00 1.61 3.72 -1.25 -4.82 117.46 116.72 1t3k n PHE 109 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1t3k n PHE 109 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.11 0.06 4.37 -0.00 -1.62 -1.21 115.58 117.07 1t3k h ASN 110 Ca 0.00 0.03 -0.09 0.00 -0.00 0.00 0.00 56.30 56.25 1t3k h ASN 110 Cb 0.32 0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.69 1t3k h ASN 110 CO 0.00 -0.04 -0.27 1.23 -0.00 0.00 0.00 177.43 178.35 1t3k h GLY 111 N -0.00 0.37 0.77 1.57 0.00 -1.90 0.88 103.07 104.76 1t3k h GLY 111 Ca 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1t3k h GLY 111 CO -0.12 0.27 -0.13 -0.25 0.00 0.00 0.00 176.54 176.31 1t3k h TRP 112 N 0.31 -0.35 0.03 5.60 2.91 -1.73 1.17 115.95 123.89 1t3k h TRP 112 Ca 0.05 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.06 1t3k h TRP 112 Cb 0.64 0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.41 1t3k h TRP 112 CO 0.02 -0.06 -0.01 1.49 -1.03 0.00 0.00 178.44 178.84 1t3k h GLU 113 N -0.61 -0.04 -0.35 2.65 4.81 -1.24 -1.23 114.58 118.57 1t3k h GLU 113 Ca -0.04 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1t3k h GLU 113 Cb 0.44 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1t3k h GLU 113 CO 0.06 0.36 -0.18 0.00 -0.73 0.00 0.00 179.01 178.52 1t3k h ALA 114 N 0.51 1.03 -0.14 2.92 0.00 -0.86 0.46 119.26 123.18 1t3k h ALA 114 Ca -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1t3k h ALA 114 Cb 0.41 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1t3k h ALA 114 CO 0.01 0.58 0.11 0.43 0.00 0.00 0.00 179.25 180.38 1t3k n SER 115 N -4.14 4.61 0.00 0.00 7.64 0.40 -4.53 113.62 117.60 1t3k n SER 115 Ca 0.00 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.44 1t3k n SER 115 Cb 0.39 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 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 0.80 1.69 3.36 0.23 0.00 -1.22 -4.82 105.19 105.23 1t3k n GLY 116 Ca 0.08 0.00 -0.17 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 -3.28 -1.39 1.61 4.81 0.16 -4.86 118.16 115.21 1t3k n LYS 117 Ca 0.00 0.81 -0.35 0.00 -0.87 0.00 0.00 58.31 57.90 1t3k n LYS 117 Cb 0.00 -5.65 -0.04 0.00 0.02 0.00 0.00 35.03 29.36 1t3k n LYS 117 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1t3k n PRO 118 N -3.58 3.60 -3.43 1.64 -0.04 -1.23 -4.92 135.00 127.03 1t3k n PRO 118 Ca -0.13 -2.26 -0.33 0.00 -0.04 0.00 0.00 63.50 60.73 1t3k n PRO 118 Cb 0.63 -2.64 -0.05 0.00 -0.04 0.00 0.00 33.50 31.39 1t3k n PRO 118 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1t3k s VAL 119 N 1.30 4.94 0.00 0.52 0.11 -1.26 -4.98 120.40 121.03 1t3k s VAL 119 Ca 0.67 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 60.27 1t3k s VAL 119 Cb 0.21 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 1t3k s VAL 119 CO -0.06 0.07 0.00 0.00 -3.33 0.00 0.00 175.10 171.78 1t3k n ARG 121 N 0.00 0.00 0.00 0.00 3.00 -1.26 -5.04 116.66 113.36 1t3k n ARG 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1t3k n ARG 121 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 -1.16 -3.00 0.00 0.00 -1.26 -5.11 120.51 106.98 1t3k n ALA 123 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1t3k n ALA 123 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.15 0.00 -0.32 0.00 0.28 -1.26 -5.05 120.64 114.14 1t3k n GLU 124 Ca -0.03 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.05 1t3k n GLU 124 Cb 0.48 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.52 1t3k n GLU 124 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1t3k n VAL 125 N 0.00 -0.38 -0.42 3.84 3.14 -1.26 -1.55 118.33 121.71 1t3k n VAL 125 Ca 0.00 2.02 0.34 0.00 -2.96 0.00 0.00 64.34 63.74 1t3k n VAL 125 Cb 0.00 -2.84 0.52 0.00 -1.06 0.00 0.00 33.84 30.46 1t3k n VAL 125 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1t3k n PRO 126 N -5.41 0.00 0.00 1.45 -0.02 -1.26 -4.34 135.00 125.43 1t3k n PRO 126 Ca 0.16 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1t3k n PRO 126 Cb 0.52 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 -1.35 0.00 4.76 -1.26 -4.87 118.16 115.44 1t3k n LYS 128 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1t3k n LYS 128 Cb 0.00 -0.38 -0.04 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 2.64 1.04 2.96 0.72 0.00 -0.71 -4.92 105.19 106.92 1t3k n GLY 129 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 1t3k n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t3k s ASP 130 N -2.87 0.08 -0.14 1.61 -1.08 -0.65 -3.77 116.67 109.86 1t3k s ASP 130 Ca 0.00 -0.18 0.17 0.00 -0.52 0.00 0.00 52.55 52.02 1t3k s ASP 130 Cb 0.00 0.10 -0.25 0.00 -1.46 0.00 0.00 42.92 41.32 1t3k s ASP 130 CO 0.00 -0.17 0.28 0.00 0.52 0.00 0.00 175.17 175.80