#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 -2.51 -4.07 2.12 4.76 -1.26 -4.98 118.16 112.22 2h3a n LYS 2 Ca 0.00 1.84 -0.32 0.00 -2.87 0.00 0.00 58.31 56.96 2h3a n LYS 2 Cb 0.00 -2.05 -0.15 0.00 -1.84 0.00 0.00 35.03 30.99 2h3a n LYS 2 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2h3a s GLN 3 N -3.89 2.31 -0.41 1.97 2.00 -1.26 -5.07 119.66 115.32 2h3a s GLN 3 Ca 0.00 -1.25 -0.29 0.00 -2.00 0.00 0.00 55.36 51.82 2h3a s GLN 3 Cb 0.00 -2.82 0.02 0.00 0.80 0.00 0.00 33.01 31.01 2h3a s GLN 3 CO 0.00 -0.52 1.15 0.50 -0.50 0.00 0.00 175.29 175.92 2h3a s ARG 4 N 1.15 3.85 -0.14 1.67 3.52 -1.26 -4.99 118.95 122.75 2h3a s ARG 4 Ca -0.07 0.81 -0.00 0.00 -0.13 0.00 0.00 55.73 56.34 2h3a s ARG 4 Cb -0.19 -3.85 -0.01 0.00 -1.56 0.00 0.00 34.95 29.33 2h3a s ARG 4 CO -0.06 -1.21 -0.13 0.96 -0.81 0.00 0.00 175.30 174.05 2h3a s ILE 5 N 4.24 3.06 -0.03 4.11 -4.36 -1.26 -5.11 121.20 121.85 2h3a s ILE 5 Ca 0.48 -0.65 0.02 0.00 -0.26 0.00 0.00 60.65 60.24 2h3a s ILE 5 Cb -0.10 -2.29 0.00 0.00 1.25 0.00 0.00 42.46 41.32 2h3a s ILE 5 CO 0.26 0.52 -0.08 0.28 0.24 0.00 0.00 174.94 176.16 2h3a s THR 6 N 0.42 0.70 -0.67 8.37 -1.32 -1.26 -5.08 115.64 116.80 2h3a s THR 6 Ca -0.10 -0.31 -0.15 0.00 -1.21 0.00 0.00 61.69 59.92 2h3a s THR 6 Cb -0.16 -0.63 0.17 0.00 -1.51 0.00 0.00 72.50 70.37 2h3a s THR 6 CO 0.05 0.23 0.63 -0.69 -2.21 0.00 0.00 174.62 172.62 2h3a s VAL 7 N 0.24 5.37 -0.78 5.08 1.01 -1.26 -4.96 120.40 125.10 2h3a s VAL 7 Ca -0.04 -1.91 -0.21 0.00 0.00 0.00 0.00 61.98 59.83 2h3a s VAL 7 Cb -0.08 -4.40 -0.15 0.00 0.00 0.00 0.00 36.38 31.74 2h3a s VAL 7 CO 0.00 -0.95 1.94 0.35 0.00 0.00 0.00 175.10 176.44 2h3a n THR 8 N 4.71 1.87 0.00 3.92 -2.24 -1.26 -4.76 114.28 116.52 2h3a n THR 8 Ca -0.01 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.18 2h3a n THR 8 Cb 0.43 -2.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.36 2h3a n THR 8 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2h3a n VAL 9 N 5.86 0.00 -0.11 2.28 3.14 -1.26 -4.95 118.33 123.29 2h3a n VAL 9 Ca 0.49 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.87 2h3a n VAL 9 Cb 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 2h3a n VAL 9 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2h3a n ASP 10 N 0.00 -0.33 0.03 6.55 2.03 -1.26 -4.86 116.55 118.71 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 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 2h3a n ASP 10 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2h3a n SER 11 N 0.07 -0.23 -1.75 1.67 2.88 -1.26 -4.93 113.62 110.08 2h3a n SER 11 Ca 0.00 0.11 -0.01 0.00 -1.33 0.00 0.00 58.87 57.64 2h3a n SER 11 Cb 0.00 0.35 -0.02 0.00 -0.75 0.00 0.00 64.21 63.80 2h3a n SER 11 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2h3a n ASP 12 N -2.67 3.42 0.00 -3.46 9.92 -1.26 -4.62 116.55 117.87 2h3a n ASP 12 Ca 0.00 -1.94 0.00 0.00 -0.53 0.00 0.00 54.79 52.32 2h3a n ASP 12 Cb 0.00 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 39.73 2h3a n ASP 12 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2h3a n SER 13 N 1.82 -1.42 0.43 -2.24 2.88 -1.26 -4.97 113.62 108.87 2h3a n SER 13 Ca 0.04 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.38 2h3a n SER 13 Cb 0.36 -0.24 -0.10 0.00 -0.75 0.00 0.00 64.21 63.48 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 0.00 -1.27 -1.00 0.66 3.20 -1.94 -3.17 116.97 113.45 2h3a h TYR 14 Ca 0.00 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.08 2h3a h TYR 14 Cb 0.00 0.45 -0.12 0.00 1.54 0.00 0.00 36.73 38.60 2h3a h TYR 14 CO 0.00 -0.72 0.60 1.96 -1.64 0.00 0.00 178.16 178.36 2h3a h GLN 15 N -1.19 0.64 -1.09 1.82 4.20 -1.93 -0.17 115.11 117.39 2h3a h GLN 15 Ca -0.11 -0.04 0.30 0.00 0.06 0.00 0.00 58.65 58.87 2h3a h GLN 15 Cb 0.95 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 28.52 2h3a h GLN 15 CO 0.11 0.43 0.74 1.25 -0.67 0.00 0.00 178.83 180.69 2h3a h LEU 16 N 0.66 0.23 0.06 1.46 6.46 -1.97 1.66 115.31 123.88 2h3a h LEU 16 Ca 0.61 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 58.42 2h3a h LEU 16 Cb 1.07 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.01 2h3a h LEU 16 CO -0.43 0.04 -0.03 -0.07 -0.62 0.00 0.00 178.44 177.32 2h3a h LEU 17 N 0.20 -0.07 -2.07 2.25 3.38 -1.15 -3.32 115.31 114.52 2h3a h LEU 17 Ca 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 2h3a h LEU 17 Cb 1.85 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 2h3a h LEU 17 CO -0.16 0.53 -0.09 0.07 0.09 0.00 0.00 178.44 178.88 2h3a h LYS 18 N -1.00 0.00 -0.44 1.13 2.10 -1.33 -1.90 116.57 115.13 2h3a h LYS 18 Ca -0.01 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.76 2h3a h LYS 18 Cb 0.32 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.63 2h3a h LYS 18 CO 0.01 0.09 0.31 0.00 -2.00 0.00 0.00 179.45 177.86 2h3a h ALA 19 N 1.91 2.33 0.13 0.07 0.00 0.23 -1.65 119.26 122.29 2h3a h ALA 19 Ca -0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 2h3a h ALA 19 Cb 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2h3a h ALA 19 CO 0.01 -0.45 -1.86 1.88 0.00 0.00 0.00 179.25 178.83 2h3a h TYR 20 N 0.07 0.50 0.00 0.00 0.05 -1.47 -3.48 116.97 112.64 2h3a h TYR 20 Ca 0.21 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.62 2h3a h TYR 20 Cb 0.75 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.47 2h3a h TYR 20 CO -0.00 1.65 0.00 -3.47 -1.05 0.00 0.00 178.16 175.29 2h3a n ASP 21 N -3.47 0.00 -2.75 3.88 2.03 -0.62 -5.11 116.55 110.50 2h3a n ASP 21 Ca -0.27 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.00 2h3a n ASP 21 Cb 1.06 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.47 2h3a n ASP 21 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2h3a n VAL 22 N 0.00 0.00 0.00 5.18 3.14 -1.13 -4.98 118.33 120.54 2h3a n VAL 22 Ca 0.00 -1.02 0.00 0.00 -2.96 0.00 0.00 64.34 60.36 2h3a n VAL 22 Cb 0.00 1.05 0.00 0.00 -1.06 0.00 0.00 33.84 33.83 2h3a n VAL 22 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2h3a n ASN 23 N 2.74 0.00 0.00 6.55 4.13 -1.26 -3.15 115.26 124.27 2h3a n ASN 23 Ca 0.16 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.55 2h3a n ASN 23 Cb 0.57 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 2h3a n ASN 23 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2h3a n ILE 24 N -0.16 0.00 -0.18 2.41 -6.64 -1.26 -4.60 119.36 108.93 2h3a n ILE 24 Ca 0.00 0.00 -0.05 0.00 -1.77 0.00 0.00 62.75 60.93 2h3a n ILE 24 Cb 0.00 0.00 -0.04 0.00 -1.44 0.00 0.00 39.64 38.16 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 -0.47 0.04 7.28 2.88 -1.26 0.90 113.62 123.00 2h3a n SER 25 Ca 0.00 1.26 0.02 0.00 -1.33 0.00 0.00 58.87 58.82 2h3a n SER 25 Cb 0.31 -0.34 -0.07 0.00 -0.75 0.00 0.00 64.21 63.36 2h3a n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2h3a n GLY 26 N -1.11 -1.23 0.38 0.46 0.00 -1.26 -3.76 105.19 98.66 2h3a n GLY 26 Ca 0.01 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 2h3a n GLY 26 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2h3a h LEU 27 N 0.00 -0.78 0.62 0.99 5.85 -1.69 0.44 115.31 120.74 2h3a h LEU 27 Ca -0.14 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 2h3a h LEU 27 Cb 1.50 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.72 2h3a h LEU 27 CO 0.04 -0.54 -0.42 0.58 -0.34 0.00 0.00 178.44 177.76 2h3a h VAL 28 N -0.95 0.00 -0.90 1.05 2.07 0.34 1.79 116.25 119.65 2h3a h VAL 28 Ca -0.09 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.61 2h3a h VAL 28 Cb 0.72 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.38 2h3a h VAL 28 CO 0.15 0.00 0.47 0.77 0.02 0.00 0.00 177.57 178.98 2h3a h SER 29 N -0.99 0.54 0.00 0.57 4.64 -1.65 1.18 113.55 117.85 2h3a h SER 29 Ca -0.08 0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2h3a h SER 29 Cb 0.80 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2h3a h SER 29 CO 0.06 0.16 -0.00 0.00 -0.87 0.00 0.00 176.83 176.18 2h3a h THR 30 N 0.59 1.58 -0.76 2.95 1.03 0.19 -2.86 112.91 115.63 2h3a h THR 30 Ca 0.52 -1.77 0.12 0.00 -0.01 0.00 0.00 66.41 65.28 2h3a h THR 30 Cb 0.85 2.77 -0.08 0.00 -1.07 0.00 0.00 68.15 70.62 2h3a h THR 30 CO -0.42 0.45 0.36 0.74 -0.01 0.00 0.00 175.52 176.64 2h3a h THR 31 N -0.77 0.76 -0.20 0.00 2.02 0.34 -1.12 112.91 113.95 2h3a h THR 31 Ca -0.00 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.04 2h3a h THR 31 Cb 0.75 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 2h3a h THR 31 CO 0.00 0.10 -0.21 0.24 0.37 0.00 0.00 175.52 176.02 2h3a h MET 32 N 0.56 -0.22 -0.86 6.66 2.86 0.14 0.83 114.93 124.89 2h3a h MET 32 Ca 0.40 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 58.16 2h3a h MET 32 Cb 0.51 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.16 2h3a h MET 32 CO -0.33 -0.15 0.56 -0.56 1.06 0.00 0.00 176.91 177.49 2h3a h GLN 33 N -0.23 0.76 -0.03 1.72 -0.00 -0.98 2.93 115.11 119.28 2h3a h GLN 33 Ca 0.12 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.69 2h3a h GLN 33 Cb 0.42 -0.17 0.00 0.00 -0.00 0.00 0.00 27.48 27.73 2h3a h GLN 33 CO -0.33 0.50 -0.11 -2.95 -0.00 0.00 0.00 178.83 175.95 2h3a h ASN 34 N 0.78 0.15 0.53 0.06 7.08 -0.56 1.44 115.58 125.06 2h3a h ASN 34 Ca 0.41 -0.62 -0.06 0.00 -3.08 0.00 0.00 56.30 52.94 2h3a h ASN 34 Cb 0.50 -0.04 -0.01 0.00 -2.08 0.00 0.00 38.32 36.69 2h3a h ASN 34 CO -0.17 0.74 -0.31 -0.33 -2.08 0.00 0.00 177.43 175.28 2h3a h GLU 35 N -0.44 0.00 0.08 4.14 5.08 0.13 -2.31 114.58 121.27 2h3a h GLU 35 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 2h3a h GLU 35 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2h3a h GLU 35 CO 0.02 0.31 -0.86 0.00 -1.00 0.00 0.00 179.01 177.48 2h3a h ALA 36 N 1.69 0.06 -0.30 3.43 0.00 0.53 0.48 119.26 125.15 2h3a h ALA 36 Ca -0.00 -0.84 0.07 0.00 0.00 0.00 0.00 54.91 54.14 2h3a h ALA 36 Cb 0.66 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 2h3a h ALA 36 CO 0.04 0.47 -0.17 0.00 0.00 0.00 0.00 179.25 179.59 2h3a h ARG 37 N -0.58 -0.13 0.09 0.00 2.47 0.20 -1.90 114.38 114.53 2h3a h ARG 37 Ca -0.18 0.01 -0.27 0.00 -1.26 0.00 0.00 59.98 58.27 2h3a h ARG 37 Cb 1.48 0.03 0.02 0.00 -1.65 0.00 0.00 29.97 29.85 2h3a h ARG 37 CO 0.04 -0.09 -1.16 -0.09 0.56 0.00 0.00 179.97 179.23 2h3a h ARG 38 N -0.13 0.51 -6.94 0.04 9.65 -1.55 -3.47 114.38 112.47 2h3a h ARG 38 Ca 0.16 -0.66 -0.59 0.00 -1.10 0.00 0.00 59.98 57.79 2h3a h ARG 38 Cb 0.37 0.22 -0.23 0.00 -1.39 0.00 0.00 29.97 28.94 2h3a h ARG 38 CO -0.38 1.28 -0.91 -0.11 2.80 0.00 0.00 179.97 182.65 2h3a n LEU 39 N -3.73 -1.31 0.00 3.80 0.00 0.17 -4.80 117.00 111.12 2h3a n LEU 39 Ca -0.11 -1.16 0.00 0.00 0.00 0.00 0.00 56.01 54.74 2h3a n LEU 39 Cb 0.95 -1.82 0.00 0.00 0.00 0.00 0.00 43.42 42.55 2h3a n LEU 39 CO 0.55 0.31 0.00 -1.14 0.00 0.00 0.00 177.39 177.12 2h3a n ARG 40 N -4.36 0.00 -3.60 1.96 3.00 -1.25 -5.03 116.66 107.38 2h3a n ARG 40 Ca -0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.68 2h3a n ARG 40 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.02 2h3a n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2h3a s ALA 41 N 0.00 -1.72 0.00 5.13 0.00 -1.26 -5.13 121.76 118.78 2h3a s ALA 41 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2h3a s ALA 41 Cb 0.00 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2h3a s ALA 41 CO 0.00 -0.84 0.00 0.39 0.00 0.00 0.00 175.76 175.31 2h3a n GLU 42 N -0.35 0.00 -1.61 0.00 1.02 -1.26 -5.10 120.64 113.34 2h3a n GLU 42 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2h3a n GLU 42 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 2h3a n GLU 42 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2h3a n ARG 43 N 0.00 -4.51 -0.47 3.49 0.00 -1.26 -4.88 116.66 109.03 2h3a n ARG 43 Ca 0.00 3.27 0.00 0.00 -0.00 0.00 0.00 57.85 61.12 2h3a n ARG 43 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 32.46 28.84 2h3a n ARG 43 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2h3a n TRP 44 N 0.18 -1.67 -4.51 -0.14 8.01 -1.26 -5.07 117.44 112.98 2h3a n TRP 44 Ca 0.00 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 55.95 2h3a n TRP 44 Cb 0.00 0.00 -0.16 0.00 -2.01 0.00 0.00 31.31 29.14 2h3a n TRP 44 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 2h3a s LYS 45 N 0.09 1.52 -0.10 -0.99 2.36 -1.26 -5.06 119.74 116.31 2h3a s LYS 45 Ca 0.00 -0.36 -0.17 0.00 -2.55 0.00 0.00 55.97 52.89 2h3a s LYS 45 Cb 0.00 -1.29 -0.05 0.00 -1.05 0.00 0.00 37.83 35.45 2h3a s LYS 45 CO 0.00 0.02 0.44 0.54 1.55 0.00 0.00 175.35 177.90 2h3a s VAL 46 N 0.66 5.16 -1.27 4.02 0.11 -1.26 -4.99 120.40 122.84 2h3a s VAL 46 Ca -0.13 0.89 -0.18 0.00 -2.93 0.00 0.00 61.98 59.62 2h3a s VAL 46 Cb -0.15 -3.78 0.01 0.00 -1.53 0.00 0.00 36.38 30.93 2h3a s VAL 46 CO 0.03 0.38 1.90 -0.62 -3.33 0.00 0.00 175.10 173.46 2h3a n GLU 47 N 3.28 2.67 -4.64 1.54 4.71 -1.26 -4.92 120.64 122.03 2h3a n GLU 47 Ca -0.09 -2.86 -0.30 0.00 -0.01 0.00 0.00 57.16 53.90 2h3a n GLU 47 Cb 0.52 -3.45 -0.13 0.00 -1.01 0.00 0.00 31.44 27.37 2h3a n GLU 47 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2h3a s ASN 48 N 4.50 3.71 0.28 1.62 2.47 -1.26 -5.10 114.94 121.16 2h3a s ASN 48 Ca 0.56 -0.48 -0.30 0.00 0.42 0.00 0.00 52.86 53.05 2h3a s ASN 48 Cb 0.06 -0.54 -0.12 0.00 -1.45 0.00 0.00 41.25 39.20 2h3a s ASN 48 CO 0.06 0.24 1.64 0.00 -3.72 0.00 0.00 177.10 175.32 2h3a s GLN 49 N -1.53 4.11 0.25 0.43 0.00 -1.26 -4.88 119.66 116.78 2h3a s GLN 49 Ca 0.15 2.61 0.00 0.00 -0.00 0.00 0.00 55.36 58.11 2h3a s GLN 49 Cb -0.10 -3.03 0.00 0.00 0.00 0.00 0.00 33.01 29.88 2h3a s GLN 49 CO 0.05 -0.68 0.00 0.39 0.00 0.00 0.00 175.29 175.06 2h3a n GLU 50 N 2.60 0.00 0.00 9.60 1.02 -1.26 -5.16 120.64 127.44 2h3a n GLU 50 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2h3a n GLU 50 Cb 0.37 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 2h3a n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2h3a n GLY 51 N 2.02 0.42 3.25 0.62 0.00 -1.26 -5.06 105.19 105.17 2h3a n GLY 51 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 2h3a n GLY 51 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2h3a s MET 52 N 0.00 0.41 -0.43 1.61 1.75 -1.26 -5.11 119.30 116.27 2h3a s MET 52 Ca 0.00 0.51 0.05 0.00 -1.25 0.00 0.00 55.69 55.01 2h3a s MET 52 Cb 0.00 0.18 0.20 0.00 2.84 0.00 0.00 34.83 38.05 2h3a s MET 52 CO 0.00 -0.06 0.42 0.28 -0.65 0.00 0.00 175.02 175.01 2h3a n VAL 53 N 2.99 -0.76 -2.63 10.11 0.31 -1.26 -5.08 118.33 122.00 2h3a n VAL 53 Ca -0.14 -3.75 -0.42 0.00 -0.01 0.00 0.00 64.34 60.02 2h3a n VAL 53 Cb 0.57 -1.79 -0.03 0.00 -0.91 0.00 0.00 33.84 31.68 2h3a n VAL 53 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2h3a s GLU 54 N -0.49 3.26 0.00 5.55 8.01 -1.26 -4.92 118.70 128.85 2h3a s GLU 54 Ca 0.33 -0.24 0.00 0.00 0.01 0.00 0.00 54.97 55.08 2h3a s GLU 54 Cb 0.08 -4.14 0.00 0.00 -4.31 0.00 0.00 34.13 25.75 2h3a s GLU 54 CO -0.17 -1.94 0.00 0.28 0.01 0.00 0.00 175.26 173.45 2h3a n VAL 55 N 6.35 0.00 0.16 2.63 0.31 -1.26 -5.13 118.33 121.39 2h3a n VAL 55 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2h3a n VAL 55 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 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 -3.00 1.73 -0.74 3.52 0.00 -1.26 -5.13 120.51 115.63 2h3a n ALA 56 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2h3a n ALA 56 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 2h3a n ALA 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2h3a n ARG 57 N -3.35 -0.70 -3.38 0.00 5.12 -1.26 -5.01 116.66 108.08 2h3a n ARG 57 Ca 0.00 -0.17 -0.18 0.00 -1.93 0.00 0.00 57.85 55.58 2h3a n ARG 57 Cb 0.00 -1.89 -0.08 0.00 -1.16 0.00 0.00 32.46 29.32 2h3a n ARG 57 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2h3a s PHE 58 N -2.39 -0.27 -0.23 -1.55 2.19 -1.26 -5.10 117.98 109.38 2h3a s PHE 58 Ca 0.58 -0.73 -0.04 0.00 0.33 0.00 0.00 56.93 57.07 2h3a s PHE 58 Cb -0.20 -0.45 0.08 0.00 -1.31 0.00 0.00 43.02 41.14 2h3a s PHE 58 CO 0.66 -0.95 0.10 0.42 1.83 0.00 0.00 175.22 177.28 2h3a s ILE 59 N 1.62 0.09 0.17 3.12 -1.09 -1.26 -5.14 121.20 118.71 2h3a s ILE 59 Ca 0.15 -0.53 0.10 0.00 -2.23 0.00 0.00 60.65 58.14 2h3a s ILE 59 Cb -0.15 -0.87 -0.04 0.00 -1.58 0.00 0.00 42.46 39.81 2h3a s ILE 59 CO -0.10 -0.46 -0.15 -0.70 -1.23 0.00 0.00 174.94 172.31 2h3a s GLU 60 N 2.04 1.87 0.00 2.79 2.56 -1.26 -5.05 118.70 121.65 2h3a s GLU 60 Ca 0.05 -1.32 0.00 0.00 0.00 0.00 0.00 54.97 53.70 2h3a s GLU 60 Cb -0.16 -2.07 0.00 0.00 2.00 0.00 0.00 34.13 33.90 2h3a s GLU 60 CO -0.20 0.43 0.00 -1.33 -0.56 0.00 0.00 175.26 173.61 2h3a n MET 61 N 0.23 0.00 0.00 4.30 2.81 -1.26 -4.99 117.12 118.21 2h3a n MET 61 Ca -0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 2h3a n MET 61 Cb 0.55 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.06 2h3a n MET 61 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2h3a n ASN 62 N -2.41 0.00 0.00 7.83 3.02 -1.26 -4.77 115.26 117.66 2h3a n ASN 62 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2h3a n ASN 62 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2h3a n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h3a n GLY 63 N 0.10 0.76 0.00 7.41 0.00 -1.26 -4.96 105.19 107.23 2h3a n GLY 63 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2h3a n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2h3a n SER 64 N 0.00 0.00 -0.05 1.61 7.64 -1.26 -5.04 113.62 116.53 2h3a n SER 64 Ca 0.00 -0.29 -0.08 0.00 1.01 0.00 0.00 58.87 59.51 2h3a n SER 64 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2h3a n SER 64 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2h3a n PHE 65 N 0.00 0.00 0.00 1.43 3.01 -1.26 -4.99 117.46 115.65 2h3a n PHE 65 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2h3a n PHE 65 Cb 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 2h3a n PHE 65 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2h3a n ALA 66 N -4.07 0.00 -2.34 4.37 0.00 -1.26 -4.61 120.51 112.60 2h3a n ALA 66 Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.15 2h3a n ALA 66 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 2h3a n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h3a n ASP 67 N 2.06 -4.68 -4.57 0.00 9.92 -1.26 -4.85 116.55 113.17 2h3a n ASP 67 Ca 0.00 0.13 -0.31 0.00 -0.53 0.00 0.00 54.79 54.08 2h3a n ASP 67 Cb 0.00 -3.97 -0.04 0.00 -0.64 0.00 0.00 41.12 36.47 2h3a n ASP 67 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2h3a s GLU 68 N -4.89 2.86 0.73 -1.24 0.41 -1.26 -4.96 118.70 110.36 2h3a s GLU 68 Ca 0.00 -0.87 -0.16 0.00 -0.41 0.00 0.00 54.97 53.53 2h3a s GLU 68 Cb 0.00 -5.22 -0.01 0.00 -1.78 0.00 0.00 34.13 27.12 2h3a s GLU 68 CO 0.00 -3.25 0.76 0.27 -0.49 0.00 0.00 175.26 172.55 2h3a n ASN 69 N 12.66 -0.34 0.00 -0.19 0.23 -1.26 -4.85 115.26 121.51 2h3a n ASN 69 Ca 0.41 0.62 0.00 0.00 -0.53 0.00 0.00 54.58 55.08 2h3a n ASN 69 Cb 0.47 -1.32 0.00 0.00 -2.08 0.00 0.00 39.78 36.86 2h3a n ASN 69 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2h3a n LYS 70 N -1.40 0.00 -0.15 -3.83 3.00 -1.26 -5.14 118.16 109.38 2h3a n LYS 70 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 2h3a n LYS 70 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 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 -0.76 -1.16 0.00 3.14 2.03 -1.26 -5.36 116.55 113.17 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 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 2h3a n ASP 71 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07