#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3a n LYS 2 N 0.00 -2.68 -3.60 0.03 4.01 -1.26 -4.97 118.16 109.69 2h3a n LYS 2 Ca 0.00 2.19 -0.41 0.00 -0.51 0.00 0.00 58.31 59.58 2h3a n LYS 2 Cb 0.00 -2.58 -0.11 0.00 -0.51 0.00 0.00 35.03 31.83 2h3a n LYS 2 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 2h3a s GLN 3 N -1.38 2.79 -0.61 1.97 2.00 -1.26 -5.03 119.66 118.15 2h3a s GLN 3 Ca 0.00 -1.12 -0.28 0.00 -2.00 0.00 0.00 55.36 51.96 2h3a s GLN 3 Cb 0.00 -3.74 0.03 0.00 0.80 0.00 0.00 33.01 30.10 2h3a s GLN 3 CO 0.00 -0.73 1.28 0.50 -0.50 0.00 0.00 175.29 175.84 2h3a s ARG 4 N 1.54 3.39 -0.18 1.67 3.52 -1.26 -4.98 118.95 122.65 2h3a s ARG 4 Ca 0.02 0.21 -0.07 0.00 -0.13 0.00 0.00 55.73 55.76 2h3a s ARG 4 Cb -0.20 -4.08 -0.04 0.00 -1.56 0.00 0.00 34.95 29.08 2h3a s ARG 4 CO 0.06 -1.85 0.05 0.96 -0.81 0.00 0.00 175.30 173.71 2h3a s ILE 5 N 5.45 4.73 -0.06 4.11 -4.36 -1.26 -5.09 121.20 124.71 2h3a s ILE 5 Ca 0.44 -0.06 0.01 0.00 -0.26 0.00 0.00 60.65 60.79 2h3a s ILE 5 Cb -0.08 -3.12 0.02 0.00 1.25 0.00 0.00 42.46 40.52 2h3a s ILE 5 CO 0.23 0.47 -0.08 0.28 0.24 0.00 0.00 174.94 176.08 2h3a s THR 6 N 0.33 0.85 -0.44 8.37 -1.32 -1.26 -5.10 115.64 117.07 2h3a s THR 6 Ca 0.03 -0.29 -0.15 0.00 -1.21 0.00 0.00 61.69 60.06 2h3a s THR 6 Cb -0.12 -0.83 0.05 0.00 -1.51 0.00 0.00 72.50 70.09 2h3a s THR 6 CO 0.00 0.30 0.35 -0.69 -2.21 0.00 0.00 174.62 172.37 2h3a s VAL 7 N 0.92 5.23 -0.68 5.08 1.01 -1.26 -5.03 120.40 125.68 2h3a s VAL 7 Ca -0.10 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.75 2h3a s VAL 7 Cb -0.15 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 2h3a s VAL 7 CO 0.01 -0.44 1.80 0.42 0.00 0.00 0.00 175.10 176.88 2h3a s THR 8 N 1.66 3.42 0.00 3.92 -4.23 -1.26 -4.93 115.64 114.22 2h3a s THR 8 Ca 0.04 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 2h3a s THR 8 Cb -0.22 -4.09 0.00 0.00 1.34 0.00 0.00 72.50 69.53 2h3a s THR 8 CO 0.08 -1.05 0.00 0.52 -0.54 0.00 0.00 174.62 173.63 2h3a n VAL 9 N 7.20 0.00 -0.06 2.29 0.31 -1.26 -4.81 118.33 122.00 2h3a n VAL 9 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 2h3a n VAL 9 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 2h3a n VAL 9 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2h3a n ASP 10 N 0.00 0.00 0.07 4.52 2.03 -1.26 -4.64 116.55 117.27 2h3a n ASP 10 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2h3a n ASP 10 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2h3a n ASP 10 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2h3a n SER 11 N 0.00 0.21 0.00 1.67 7.64 -1.26 -5.04 113.62 116.84 2h3a n SER 11 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2h3a n SER 11 Cb 0.00 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2h3a n SER 11 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2h3a n ASP 12 N -3.22 0.00 -1.25 6.43 8.00 -1.26 -4.94 116.55 120.30 2h3a n ASP 12 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 2h3a n ASP 12 Cb 0.07 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.17 2h3a n ASP 12 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2h3a n SER 13 N 0.00 -0.10 0.00 -2.24 2.88 -1.26 -5.03 113.62 107.87 2h3a n SER 13 Ca 0.00 -0.79 -0.20 0.00 -1.33 0.00 0.00 58.87 56.55 2h3a n SER 13 Cb 0.00 0.04 -0.14 0.00 -0.75 0.00 0.00 64.21 63.37 2h3a n SER 13 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2h3a h TYR 14 N 0.05 0.37 -1.01 0.66 3.20 -1.98 -3.38 116.97 114.87 2h3a h TYR 14 Ca -0.04 -0.27 0.24 0.00 3.14 0.00 0.00 58.73 61.80 2h3a h TYR 14 Cb 0.88 -0.01 -0.11 0.00 1.54 0.00 0.00 36.73 39.02 2h3a h TYR 14 CO -0.16 1.35 0.61 1.96 -1.64 0.00 0.00 178.16 180.28 2h3a h GLN 15 N -0.52 0.56 0.62 1.82 1.08 -1.98 -2.39 115.11 114.31 2h3a h GLN 15 Ca -0.19 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 56.95 2h3a h GLN 15 Cb 1.54 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.84 2h3a h GLN 15 CO 0.06 0.37 -0.34 -0.07 -0.95 0.00 0.00 178.83 177.90 2h3a h LEU 16 N 0.58 -0.84 -1.06 1.46 3.38 -1.97 1.02 115.31 117.88 2h3a h LEU 16 Ca 0.62 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.65 2h3a h LEU 16 Cb 1.22 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 2h3a h LEU 16 CO -0.42 -0.55 0.63 0.25 0.09 0.00 0.00 178.44 178.44 2h3a h LEU 17 N -0.90 1.08 0.14 1.67 6.46 -1.66 0.11 115.31 122.22 2h3a h LEU 17 Ca -0.08 -0.02 -0.28 0.00 -0.12 0.00 0.00 57.88 57.37 2h3a h LEU 17 Cb 0.71 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 40.38 2h3a h LEU 17 CO 0.11 0.77 -1.28 0.07 -0.62 0.00 0.00 178.44 177.49 2h3a h LYS 18 N 1.27 0.30 0.00 1.25 2.10 -1.27 0.69 116.57 120.91 2h3a h LYS 18 Ca 0.36 -0.51 -0.02 0.00 -2.00 0.00 0.00 60.65 58.48 2h3a h LYS 18 Cb -0.10 0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2h3a h LYS 18 CO -0.09 1.24 -0.11 0.00 -2.00 0.00 0.00 179.45 178.50 2h3a h ALA 19 N 0.53 0.98 0.16 0.07 0.00 0.13 -3.15 119.26 117.99 2h3a h ALA 19 Ca -0.15 -0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.30 2h3a h ALA 19 Cb 1.99 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 2h3a h ALA 19 CO 0.21 0.13 -1.87 0.10 0.00 0.00 0.00 179.25 177.83 2h3a h TYR 20 N 0.00 0.61 0.00 0.00 -0.00 -0.82 -3.48 116.97 113.27 2h3a h TYR 20 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 58.73 58.29 2h3a h TYR 20 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.47 2h3a h TYR 20 CO 0.00 1.73 0.00 -3.47 -0.00 0.00 0.00 178.16 176.42 2h3a n ASP 21 N -3.55 0.00 -3.87 0.10 2.03 -0.97 -5.10 116.55 105.19 2h3a n ASP 21 Ca -0.28 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.74 2h3a n ASP 21 Cb 1.06 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 41.34 2h3a n ASP 21 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2h3a s VAL 22 N 0.00 2.65 -0.08 5.18 1.01 0.24 -4.96 120.40 124.43 2h3a s VAL 22 Ca 0.00 -3.98 -0.02 0.00 0.00 0.00 0.00 61.98 57.97 2h3a s VAL 22 Cb 0.00 -2.76 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 2h3a s VAL 22 CO 0.00 -0.99 1.64 -0.46 0.00 0.00 0.00 175.10 175.29 2h3a n ASN 23 N 2.24 2.07 0.00 3.32 0.23 -1.26 -2.74 115.26 119.12 2h3a n ASN 23 Ca 0.18 -1.90 0.00 0.00 -0.53 0.00 0.00 54.58 52.32 2h3a n ASN 23 Cb 0.35 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.49 2h3a n ASN 23 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2h3a n ILE 24 N 3.06 0.00 -0.26 1.53 -6.64 -1.26 -4.73 119.36 111.05 2h3a n ILE 24 Ca 0.17 0.00 -0.07 0.00 -1.77 0.00 0.00 62.75 61.08 2h3a n ILE 24 Cb 0.30 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.43 2h3a n ILE 24 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 2h3a n SER 25 N 0.00 -0.67 0.04 7.28 2.88 -1.26 0.64 113.62 122.52 2h3a n SER 25 Ca 0.00 1.39 -0.06 0.00 -1.33 0.00 0.00 58.87 58.87 2h3a n SER 25 Cb 0.00 -0.28 -0.11 0.00 -0.75 0.00 0.00 64.21 63.07 2h3a n SER 25 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2h3a h GLY 26 N 0.00 0.00 0.63 0.46 0.00 -1.94 -3.29 103.07 98.92 2h3a h GLY 26 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2h3a h GLY 26 CO -0.59 0.00 -0.38 -2.00 0.00 0.00 0.00 176.54 173.57 2h3a h LEU 27 N 0.00 -0.97 -0.09 3.11 6.46 -1.57 0.25 115.31 122.50 2h3a h LEU 27 Ca -0.12 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.71 2h3a h LEU 27 Cb 1.80 0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 41.97 2h3a h LEU 27 CO 0.10 -0.59 -0.36 0.58 -0.62 0.00 0.00 178.44 177.55 2h3a h VAL 28 N -0.95 0.00 -1.01 1.05 2.07 0.03 0.93 116.25 118.37 2h3a h VAL 28 Ca -0.08 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.67 2h3a h VAL 28 Cb 0.76 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.42 2h3a h VAL 28 CO 0.09 0.00 0.62 0.77 0.02 0.00 0.00 177.57 179.07 2h3a h SER 29 N -0.38 0.63 0.29 0.57 4.64 -1.62 1.95 113.55 119.63 2h3a h SER 29 Ca 0.02 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2h3a h SER 29 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2h3a h SER 29 CO -0.29 0.15 -0.14 0.74 -0.87 0.00 0.00 176.83 176.42 2h3a h THR 30 N 0.57 0.72 -0.93 2.95 2.02 0.10 -1.80 112.91 116.54 2h3a h THR 30 Ca 0.61 -0.64 0.05 0.00 0.77 0.00 0.00 66.41 67.19 2h3a h THR 30 Cb 1.21 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 68.61 2h3a h THR 30 CO -0.39 0.12 0.60 0.74 0.37 0.00 0.00 175.52 176.97 2h3a h THR 31 N -0.75 1.12 -0.03 3.16 2.02 0.26 -2.17 112.91 116.52 2h3a h THR 31 Ca -0.04 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 66.79 2h3a h THR 31 Cb 0.50 -0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 66.75 2h3a h THR 31 CO 0.06 0.21 -0.27 0.24 0.37 0.00 0.00 175.52 176.13 2h3a h MET 32 N 1.14 -0.38 -0.41 6.66 2.86 0.31 1.02 114.93 126.13 2h3a h MET 32 Ca 0.38 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 58.03 2h3a h MET 32 Cb 0.06 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 2h3a h MET 32 CO -0.14 -0.25 0.18 0.37 1.06 0.00 0.00 176.91 178.13 2h3a h GLN 33 N -0.40 0.60 0.07 1.72 -0.00 -1.06 2.08 115.11 118.12 2h3a h GLN 33 Ca 0.07 -0.10 -0.00 0.00 -0.00 0.00 0.00 58.65 58.62 2h3a h GLN 33 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.87 2h3a h GLN 33 CO -0.25 0.54 -0.03 -0.97 0.00 0.00 0.00 178.83 178.11 2h3a h ASN 34 N 0.52 -0.08 -0.52 -0.69 -1.24 -1.05 0.27 115.58 112.79 2h3a h ASN 34 Ca 0.14 -0.07 -0.07 0.00 0.71 0.00 0.00 56.30 57.02 2h3a h ASN 34 Cb 0.15 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 2h3a h ASN 34 CO -0.02 0.02 0.09 -0.08 -1.29 0.00 0.00 177.43 176.15 2h3a h GLU 35 N -0.16 0.91 -0.72 6.67 4.57 0.13 0.80 114.58 126.77 2h3a h GLU 35 Ca -0.01 -0.22 0.07 0.00 -1.18 0.00 0.00 59.36 58.02 2h3a h GLU 35 Cb 0.14 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.55 2h3a h GLU 35 CO 0.02 0.85 0.40 0.00 -1.18 0.00 0.00 179.01 179.10 2h3a h ALA 36 N 1.23 0.99 0.17 2.92 0.00 0.39 1.35 119.26 126.31 2h3a h ALA 36 Ca 0.18 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2h3a h ALA 36 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2h3a h ALA 36 CO 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.24 2h3a h ARG 37 N 0.72 -0.22 -0.80 0.00 2.47 0.27 -3.27 114.38 113.55 2h3a h ARG 37 Ca 0.33 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 59.14 2h3a h ARG 37 Cb 0.25 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.57 2h3a h ARG 37 CO -0.21 0.17 0.52 -0.09 0.56 0.00 0.00 179.97 180.93 2h3a h ARG 38 N -0.71 0.80 -0.31 0.04 9.65 0.12 -3.27 114.38 120.69 2h3a h ARG 38 Ca -0.02 -0.05 0.07 0.00 -1.10 0.00 0.00 59.98 58.88 2h3a h ARG 38 Cb 0.50 -0.18 -0.06 0.00 -1.39 0.00 0.00 29.97 28.84 2h3a h ARG 38 CO 0.04 0.53 -0.04 1.28 2.80 0.00 0.00 179.97 184.58 2h3a n LEU 39 N -4.49 -0.07 -3.20 3.80 7.99 0.46 -2.42 117.00 119.07 2h3a n LEU 39 Ca 0.12 0.54 -0.22 0.00 -0.01 0.00 0.00 56.01 56.44 2h3a n LEU 39 Cb 0.25 -0.18 -0.02 0.00 -0.11 0.00 0.00 43.42 43.36 2h3a n LEU 39 CO 0.33 -0.53 2.25 -2.11 -1.51 0.00 0.00 177.39 175.82 2h3a n ARG 40 N -4.37 1.91 -3.62 3.23 1.85 -1.24 -4.70 116.66 109.72 2h3a n ARG 40 Ca 0.06 -1.42 -0.03 0.00 -1.00 0.00 0.00 57.85 55.46 2h3a n ARG 40 Cb 0.20 -2.45 -0.06 0.00 -1.05 0.00 0.00 32.46 29.10 2h3a n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2h3a s ALA 41 N 3.63 -2.09 -1.10 2.89 0.00 -1.02 -5.06 121.76 119.01 2h3a s ALA 41 Ca 0.38 2.33 -0.07 0.00 0.00 0.00 0.00 51.96 54.60 2h3a s ALA 41 Cb 0.10 -1.66 -0.07 0.00 0.00 0.00 0.00 23.12 21.49 2h3a s ALA 41 CO -0.02 -0.62 2.46 0.39 0.00 0.00 0.00 175.76 177.97 2h3a n GLU 42 N 4.66 2.61 -3.84 0.00 4.71 -1.26 -4.79 120.64 122.73 2h3a n GLU 42 Ca -0.16 -1.67 -0.28 0.00 -0.01 0.00 0.00 57.16 55.04 2h3a n GLU 42 Cb 0.55 -2.53 -0.16 0.00 -1.01 0.00 0.00 31.44 28.28 2h3a n GLU 42 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2h3a s ARG 43 N 2.84 1.17 0.22 3.49 3.00 -1.26 -5.13 118.95 123.28 2h3a s ARG 43 Ca 0.51 -0.58 0.02 0.00 -1.00 0.00 0.00 55.73 54.68 2h3a s ARG 43 Cb 0.14 -2.14 -0.01 0.00 0.00 0.00 0.00 34.95 32.94 2h3a s ARG 43 CO -0.04 -0.54 0.07 0.91 0.00 0.00 0.00 175.30 175.70 2h3a n TRP 44 N 4.90 0.12 -4.31 5.12 7.02 -1.26 -5.12 117.44 123.91 2h3a n TRP 44 Ca -0.11 -1.35 -0.16 0.00 -1.02 0.00 0.00 57.50 54.86 2h3a n TRP 44 Cb 0.47 -0.02 -0.10 0.00 -2.42 0.00 0.00 31.31 29.24 2h3a n TRP 44 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2h3a s LYS 45 N -2.82 1.24 -0.30 -0.99 1.02 -1.26 -5.08 119.74 111.55 2h3a s LYS 45 Ca 0.10 -1.58 0.19 0.00 0.02 0.00 0.00 55.97 54.70 2h3a s LYS 45 Cb 0.00 -0.71 0.48 0.00 -0.52 0.00 0.00 37.83 37.08 2h3a s LYS 45 CO 0.07 0.01 1.03 1.33 -0.92 0.00 0.00 175.35 176.87 2h3a n VAL 46 N -0.34 1.22 -3.17 3.17 0.24 -1.26 -4.93 118.33 113.26 2h3a n VAL 46 Ca -0.07 -3.12 -0.19 0.00 -2.04 0.00 0.00 64.34 58.92 2h3a n VAL 46 Cb 0.62 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.75 2h3a n VAL 46 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2h3a n GLU 47 N -0.32 1.12 0.00 7.34 4.71 -1.26 -4.97 120.64 127.26 2h3a n GLU 47 Ca 0.11 -3.48 0.00 0.00 -0.01 0.00 0.00 57.16 53.77 2h3a n GLU 47 Cb 0.81 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 29.51 2h3a n GLU 47 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2h3a n ASN 48 N 0.28 0.00 -2.89 1.62 4.13 -1.26 -5.02 115.26 112.11 2h3a n ASN 48 Ca 0.25 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.32 2h3a n ASN 48 Cb 0.64 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.86 2h3a n ASN 48 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2h3a n GLN 49 N 0.00 1.96 -0.56 3.52 0.00 -1.26 -5.04 117.38 116.01 2h3a n GLN 49 Ca 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 57.00 53.10 2h3a n GLN 49 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 30.24 28.42 2h3a n GLN 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2h3a n GLU 50 N -0.05 3.05 -3.32 2.61 0.00 -1.26 -5.17 120.64 116.50 2h3a n GLU 50 Ca 0.25 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.44 2h3a n GLU 50 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 32.03 2h3a n GLU 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2h3a s GLY 51 N -0.63 0.18 -1.00 -1.84 0.00 -1.26 -5.06 107.32 97.71 2h3a s GLY 51 Ca 0.00 3.48 -0.19 0.00 0.00 0.00 0.00 44.72 48.01 2h3a s GLY 51 CO 0.00 3.24 2.02 1.03 0.00 0.00 0.00 173.10 179.39 2h3a n MET 52 N 4.47 1.96 -1.72 2.90 2.81 -1.26 -4.93 117.12 121.34 2h3a n MET 52 Ca -0.09 -2.11 -0.43 0.00 -1.81 0.00 0.00 57.70 53.26 2h3a n MET 52 Cb 0.55 -3.05 -0.03 0.00 -0.71 0.00 0.00 33.22 29.98 2h3a n MET 52 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 2h3a n VAL 53 N 5.74 0.40 -3.44 2.03 3.14 -1.26 -5.01 118.33 119.92 2h3a n VAL 53 Ca 0.50 -0.10 -0.07 0.00 -2.96 0.00 0.00 64.34 61.72 2h3a n VAL 53 Cb 0.40 -1.89 0.01 0.00 -1.06 0.00 0.00 33.84 31.29 2h3a n VAL 53 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2h3a n GLU 54 N 3.18 1.16 0.00 1.45 0.00 -1.26 -5.05 120.64 120.13 2h3a n GLU 54 Ca 0.13 -0.94 0.11 0.00 0.00 0.00 0.00 57.16 56.47 2h3a n GLU 54 Cb 0.34 0.06 0.05 0.00 0.00 0.00 0.00 31.44 31.89 2h3a n GLU 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2h3a n VAL 55 N -1.00 0.00 0.00 3.84 0.31 -1.26 -4.98 118.33 115.24 2h3a n VAL 55 Ca 0.01 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2h3a n VAL 55 Cb 0.17 1.25 0.00 0.00 -0.91 0.00 0.00 33.84 34.36 2h3a n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2h3a n ALA 56 N 0.27 0.00 -2.70 3.52 0.00 -1.26 -4.71 120.51 115.63 2h3a n ALA 56 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.32 2h3a n ALA 56 Cb 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.79 2h3a n ALA 56 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2h3a s ARG 57 N 0.00 1.29 -0.41 0.00 1.70 -1.26 -5.09 118.95 115.17 2h3a s ARG 57 Ca 0.00 -0.51 0.06 0.00 -0.47 0.00 0.00 55.73 54.81 2h3a s ARG 57 Cb 0.00 -1.21 0.21 0.00 -0.57 0.00 0.00 34.95 33.38 2h3a s ARG 57 CO 0.00 0.27 0.46 1.97 -1.08 0.00 0.00 175.30 176.92 2h3a n PHE 58 N 2.90 -1.03 -3.73 5.89 1.16 -1.26 -5.06 117.46 116.32 2h3a n PHE 58 Ca -0.16 -3.20 -0.36 0.00 -1.87 0.00 0.00 57.45 51.86 2h3a n PHE 58 Cb 0.54 0.17 -0.10 0.00 -1.61 0.00 0.00 39.48 38.49 2h3a n PHE 58 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2h3a s ILE 59 N -0.34 3.61 0.10 1.97 -1.09 -1.26 -5.08 121.20 119.12 2h3a s ILE 59 Ca 0.34 -2.85 -0.30 0.00 -2.23 0.00 0.00 60.65 55.61 2h3a s ILE 59 Cb 0.10 -3.38 -0.06 0.00 -1.58 0.00 0.00 42.46 37.54 2h3a s ILE 59 CO -0.16 -0.85 1.09 -0.70 -1.23 0.00 0.00 174.94 173.10 2h3a s GLU 60 N 0.09 4.55 0.10 2.79 2.12 -1.26 -4.91 118.70 122.18 2h3a s GLU 60 Ca 0.16 1.65 0.00 0.00 0.36 0.00 0.00 54.97 57.14 2h3a s GLU 60 Cb -0.21 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.84 2h3a s GLU 60 CO -0.03 -0.03 0.00 -1.33 -0.54 0.00 0.00 175.26 173.33 2h3a n MET 61 N 3.16 0.00 -0.08 4.30 2.81 -1.26 -5.15 117.12 120.90 2h3a n MET 61 Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 2h3a n MET 61 Cb 0.47 -0.27 0.00 0.00 -0.71 0.00 0.00 33.22 32.72 2h3a n MET 61 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2h3a n ASN 62 N -3.13 0.59 0.00 7.83 2.85 -1.26 -5.16 115.26 116.98 2h3a n ASN 62 Ca 0.00 -0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 2h3a n ASN 62 Cb 0.13 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.15 2h3a n ASN 62 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2h3a n GLY 63 N 1.48 1.52 7.00 8.20 0.00 -1.26 -4.82 105.19 117.31 2h3a n GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2h3a n GLY 63 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2h3a n SER 64 N 0.00 0.00 -0.05 1.61 2.88 -1.26 -4.00 113.62 112.80 2h3a n SER 64 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 2h3a n SER 64 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2h3a n SER 64 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2h3a n PHE 65 N 0.12 0.00 -2.16 0.66 -0.00 -1.26 -4.82 117.46 110.00 2h3a n PHE 65 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.25 2h3a n PHE 65 Cb 0.00 -0.37 0.02 0.00 -0.00 0.00 0.00 39.48 39.13 2h3a n PHE 65 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2h3a n ALA 66 N -3.69 4.63 -3.39 3.13 0.00 -1.26 -5.02 120.51 114.90 2h3a n ALA 66 Ca -0.18 -3.64 -0.24 0.00 0.00 0.00 0.00 53.44 49.38 2h3a n ALA 66 Cb 0.52 -0.42 0.01 0.00 0.00 0.00 0.00 19.45 19.56 2h3a n ALA 66 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2h3a n ASP 67 N -0.68 -4.02 -4.69 0.00 -0.08 -1.26 -4.81 116.55 101.01 2h3a n ASP 67 Ca 0.38 -0.59 -0.42 0.00 -1.51 0.00 0.00 54.79 52.64 2h3a n ASP 67 Cb 0.93 -1.28 -0.03 0.00 2.34 0.00 0.00 41.12 43.09 2h3a n ASP 67 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 2h3a s GLU 68 N -3.65 4.23 -0.15 -0.67 -1.05 -1.26 -4.93 118.70 111.23 2h3a s GLU 68 Ca 0.10 2.15 -0.20 0.00 -0.15 0.00 0.00 54.97 56.88 2h3a s GLU 68 Cb -0.01 -3.61 -0.17 0.00 -0.44 0.00 0.00 34.13 29.90 2h3a s GLU 68 CO 0.72 -0.67 0.41 -0.97 0.95 0.00 0.00 175.26 175.70 2h3a h ASN 69 N 8.17 0.00 0.00 0.83 -0.73 -2.01 -3.49 115.58 118.35 2h3a h ASN 69 Ca -0.40 -0.60 0.00 0.00 1.87 0.00 0.00 56.30 57.17 2h3a h ASN 69 Cb 1.19 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.78 2h3a h ASN 69 CO 0.92 0.98 0.00 2.29 -0.37 0.00 0.00 177.43 181.25 2h3a n LYS 70 N -4.61 0.00 -0.29 6.67 -0.00 -1.26 -5.12 118.16 113.55 2h3a n LYS 70 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 2h3a n LYS 70 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.43 2h3a n LYS 70 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2h3a n ASP 71 N 0.00 -1.54 0.00 -5.58 2.03 -1.26 -5.34 116.55 104.86 2h3a n ASP 71 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2h3a n ASP 71 Cb 0.00 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 2h3a n ASP 71 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15