#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsa n SER 2 N 0.00 0.00 0.00 6.15 2.88 -1.26 -5.03 113.62 116.36 2jsa n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jsa n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jsa n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jsa n ALA 3 N 0.00 0.00 -0.08 -1.46 0.00 -1.26 -4.99 120.51 112.72 2jsa n ALA 3 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2jsa n ALA 3 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2jsa n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jsa h LEU 4 N 0.00 -1.68 -0.85 0.00 -0.00 -1.97 0.16 115.31 110.97 2jsa h LEU 4 Ca 0.00 0.22 0.18 0.00 -0.00 0.00 0.00 57.88 58.28 2jsa h LEU 4 Cb 0.00 0.69 -0.16 0.00 -0.00 0.00 0.00 40.66 41.18 2jsa h LEU 4 CO 0.00 -0.43 -0.17 -1.54 -0.00 0.00 0.00 178.44 176.31 2jsa n SER 5 N -5.41 -0.27 0.17 -0.43 3.41 -1.26 0.13 113.62 109.96 2jsa n SER 5 Ca -0.04 1.47 -0.07 0.00 -0.26 0.00 0.00 58.87 59.97 2jsa n SER 5 Cb 0.36 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 2jsa n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jsa n GLN 7 N -3.45 -0.18 -0.28 0.00 0.00 0.45 0.26 117.38 114.18 2jsa n GLN 7 Ca -0.05 1.44 0.20 0.00 -0.00 0.00 0.00 57.00 58.58 2jsa n GLN 7 Cb 0.17 -2.14 0.50 0.00 0.00 0.00 0.00 30.24 28.77 2jsa n GLN 7 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 2jsa h MET 8 N 0.00 0.42 -0.36 3.69 2.86 0.11 0.94 114.93 122.58 2jsa h MET 8 Ca 0.36 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.97 2jsa h MET 8 Cb 0.59 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2jsa h MET 8 CO -0.93 0.28 0.21 0.00 1.06 0.00 0.00 176.91 177.52 2jsa n GLU 10 N -4.45 0.15 -0.00 0.00 4.07 0.32 -1.71 120.64 119.01 2jsa n GLU 10 Ca 0.02 0.01 -0.21 0.00 -0.06 0.00 0.00 57.16 56.92 2jsa n GLU 10 Cb 0.09 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 29.83 2jsa n GLU 10 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2jsa n LEU 11 N -1.43 2.64 -0.03 4.31 7.94 0.12 -2.84 117.00 127.72 2jsa n LEU 11 Ca 0.09 0.20 -0.14 0.00 -1.11 0.00 0.00 56.01 55.06 2jsa n LEU 11 Cb 0.30 -1.11 -0.11 0.00 0.53 0.00 0.00 43.42 43.03 2jsa n LEU 11 CO 0.25 0.85 0.53 -0.37 -1.11 0.00 0.00 177.39 177.54 2jsa h VAL 12 N 0.05 1.52 0.70 1.96 -1.51 -1.10 -2.82 116.25 115.05 2jsa h VAL 12 Ca -0.43 -1.60 -0.03 0.00 -1.23 0.00 0.00 66.70 63.41 2jsa h VAL 12 Cb 2.02 2.56 -0.01 0.00 -2.13 0.00 0.00 31.29 33.73 2jsa h VAL 12 CO 0.08 0.42 -0.44 -0.37 -1.23 0.00 0.00 177.57 176.03 2jsa h VAL 13 N -0.58 0.11 -1.33 7.19 -1.51 -1.53 0.45 116.25 119.06 2jsa h VAL 13 Ca -0.00 0.00 0.40 0.00 -1.23 0.00 0.00 66.70 65.87 2jsa h VAL 13 Cb 0.72 0.11 -0.10 0.00 -2.13 0.00 0.00 31.29 29.89 2jsa h VAL 13 CO 0.01 0.00 0.89 0.07 -1.23 0.00 0.00 177.57 177.31 2jsa h LYS 14 N -1.08 0.12 0.09 5.19 2.10 -1.63 2.08 116.57 123.45 2jsa h LYS 14 Ca -0.09 -0.01 -0.29 0.00 -2.00 0.00 0.00 60.65 58.26 2jsa h LYS 14 Cb 0.87 -0.03 0.03 0.00 -0.90 0.00 0.00 32.23 32.20 2jsa h LYS 14 CO 0.08 0.08 -1.19 0.87 -2.00 0.00 0.00 179.45 177.29 2jsa h LYS 15 N 0.13 0.62 0.06 0.07 1.79 -0.95 -2.99 116.57 115.29 2jsa h LYS 15 Ca 0.75 -0.79 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2jsa h LYS 15 Cb 2.46 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 33.36 2jsa h LYS 15 CO -0.27 1.35 -0.03 -0.92 -1.08 0.00 0.00 179.45 178.51 2jsa h TYR 16 N 0.29 -0.07 -0.98 -1.35 3.20 0.73 0.01 116.97 118.80 2jsa h TYR 16 Ca -0.17 -0.00 0.40 0.00 3.14 0.00 0.00 58.73 62.10 2jsa h TYR 16 Cb 1.86 0.02 -0.18 0.00 1.54 0.00 0.00 36.73 39.98 2jsa h TYR 16 CO 0.11 -0.05 0.50 0.39 -1.64 0.00 0.00 178.16 177.47 2jsa n GLU 17 N -2.73 -0.06 -2.34 1.82 -0.58 0.49 0.87 120.64 118.12 2jsa n GLU 17 Ca -0.01 1.36 -0.28 0.00 -0.42 0.00 0.00 57.16 57.81 2jsa n GLU 17 Cb 0.03 -2.42 0.01 0.00 -0.57 0.00 0.00 31.44 28.49 2jsa n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jsa n GLY 18 N -1.27 6.04 0.06 0.62 0.00 -1.13 -4.77 105.19 104.74 2jsa n GLY 18 Ca 0.36 -2.72 -0.06 0.00 0.00 0.00 0.00 46.02 43.60 2jsa n GLY 18 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jsa h SER 19 N 2.53 0.00 0.00 1.61 4.64 0.25 -3.45 113.55 119.14 2jsa h SER 19 Ca 0.34 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2jsa h SER 19 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2jsa h SER 19 CO 0.89 0.74 0.00 0.00 -0.87 0.00 0.00 176.83 177.60 2jsa n ALA 20 N -2.79 0.00 0.21 5.18 0.00 -1.26 -4.72 120.51 117.13 2jsa n ALA 20 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.41 2jsa n ALA 20 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 2jsa n ALA 20 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jsa n ASP 21 N 0.00 0.81 -3.73 0.00 5.75 -1.26 -5.03 116.55 113.09 2jsa n ASP 21 Ca 0.00 -0.53 -0.31 0.00 -0.01 0.00 0.00 54.79 53.94 2jsa n ASP 21 Cb 0.00 1.04 0.03 0.00 -1.03 0.00 0.00 41.12 41.16 2jsa n ASP 21 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jsa n LYS 22 N -1.22 -1.06 -3.67 0.11 4.76 -1.26 -4.98 118.16 110.84 2jsa n LYS 22 Ca 0.01 0.50 -0.15 0.00 -2.87 0.00 0.00 58.31 55.79 2jsa n LYS 22 Cb 0.09 -3.68 -0.15 0.00 -1.84 0.00 0.00 35.03 29.46 2jsa n LYS 22 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jsa s ASP 23 N -3.38 0.55 0.00 4.39 1.01 -1.26 -4.99 116.67 112.99 2jsa s ASP 23 Ca 0.39 0.43 0.25 0.00 0.71 0.00 0.00 52.55 54.33 2jsa s ASP 23 Cb -0.16 0.43 1.43 0.00 1.01 0.00 0.00 42.92 45.64 2jsa s ASP 23 CO 0.88 -0.24 1.86 0.00 0.21 0.00 0.00 175.17 177.88 2jsa n ALA 24 N 5.26 2.38 -0.05 5.23 0.00 -1.26 -1.93 120.51 130.15 2jsa n ALA 24 Ca -0.06 -0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.02 2jsa n ALA 24 Cb 0.50 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.41 2jsa n ALA 24 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2jsa h ASN 25 N 0.00 0.18 1.53 0.00 2.35 -1.99 -2.95 115.58 114.70 2jsa h ASN 25 Ca 0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 55.00 2jsa h ASN 25 Cb 0.07 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2jsa h ASN 25 CO 0.00 1.49 0.00 0.58 -1.65 0.00 0.00 177.43 177.85 2jsa h VAL 26 N -0.65 0.00 0.03 2.81 2.07 -1.96 -2.59 116.25 115.96 2jsa h VAL 26 Ca -0.28 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 2jsa h VAL 26 Cb 1.49 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2jsa h VAL 26 CO -0.05 0.00 -0.01 0.40 0.02 0.00 0.00 177.57 177.93 2jsa h ILE 27 N 0.00 0.00 -0.92 4.57 2.04 -1.50 -0.46 117.51 121.24 2jsa h ILE 27 Ca 0.00 -0.16 0.22 0.00 1.00 0.00 0.00 64.86 65.92 2jsa h ILE 27 Cb 0.76 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 2jsa h ILE 27 CO 0.00 0.00 0.62 0.07 0.00 0.00 0.00 178.15 178.84 2jsa h LYS 28 N -0.20 0.31 0.32 2.37 2.10 -1.64 0.76 116.57 120.60 2jsa h LYS 28 Ca -0.00 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 2jsa h LYS 28 Cb 0.03 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2jsa h LYS 28 CO 0.01 0.21 -0.15 0.87 -2.00 0.00 0.00 179.45 178.38 2jsa h LYS 29 N 0.32 -0.41 -0.90 0.07 1.57 -1.56 -3.03 116.57 112.63 2jsa h LYS 29 Ca 0.48 0.03 0.18 0.00 -1.87 0.00 0.00 60.65 59.47 2jsa h LYS 29 Cb 1.32 0.09 -0.17 0.00 0.08 0.00 0.00 32.23 33.56 2jsa h LYS 29 CO -0.16 -0.28 -0.21 -0.44 -0.57 0.00 0.00 179.45 177.80 2jsa h ASP 30 N -0.63 -0.81 -0.78 0.86 3.32 -0.27 0.20 116.42 118.31 2jsa h ASP 30 Ca -0.04 0.27 0.10 0.00 0.02 0.00 0.00 57.03 57.37 2jsa h ASP 30 Cb 0.33 0.55 -0.12 0.00 0.22 0.00 0.00 39.33 40.31 2jsa h ASP 30 CO 0.07 -0.30 -0.50 0.15 -1.72 0.00 0.00 179.24 176.95 2jsa h PHE 31 N 0.00 -1.52 -0.63 4.55 3.04 -0.90 1.71 116.94 123.20 2jsa h PHE 31 Ca 0.44 0.10 0.18 0.00 3.98 0.00 0.00 57.97 62.67 2jsa h PHE 31 Cb 0.69 0.77 -0.03 0.00 2.56 0.00 0.00 35.95 39.94 2jsa h PHE 31 CO -0.69 -0.41 0.45 0.22 -2.02 0.00 0.00 178.31 175.86 2jsa h ASP 32 N -0.13 0.00 0.26 0.41 1.82 -0.50 0.66 116.42 118.95 2jsa h ASP 32 Ca 0.19 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 2jsa h ASP 32 Cb 0.52 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.53 2jsa h ASP 32 CO -0.82 0.00 -0.13 0.00 -1.61 0.00 0.00 179.24 176.69 2jsa h ALA 33 N 1.69 -0.35 0.00 -0.78 0.00 0.31 -0.60 119.26 119.52 2jsa h ALA 33 Ca 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jsa h ALA 33 Cb 1.19 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jsa h ALA 33 CO -0.00 -0.64 0.00 -1.91 0.00 0.00 0.00 179.25 176.69 2jsa n GLU 34 N -5.20 0.23 -0.05 0.00 4.07 -0.02 -2.78 120.64 116.90 2jsa n GLU 34 Ca -0.10 0.02 -0.13 0.00 -0.06 0.00 0.00 57.16 56.89 2jsa n GLU 34 Cb 0.19 -1.50 -0.11 0.00 -0.06 0.00 0.00 31.44 29.96 2jsa n GLU 34 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jsa h LYS 36 N -0.89 0.00 0.00 0.00 1.57 -1.13 1.20 116.57 117.31 2jsa h LYS 36 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2jsa h LYS 36 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 2jsa h LYS 36 CO 0.00 0.23 -0.13 0.87 -0.57 0.00 0.00 179.45 179.85 2jsa h LYS 37 N 0.00 0.00 0.66 3.15 1.79 -1.54 -2.16 116.57 118.47 2jsa h LYS 37 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2jsa h LYS 37 Cb 0.49 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.15 2jsa h LYS 37 CO 0.03 0.41 -0.32 1.25 -1.08 0.00 0.00 179.45 179.74 2jsa h LEU 38 N -1.00 -0.75 -2.60 2.94 6.46 0.41 -2.71 115.31 118.06 2jsa h LEU 38 Ca -0.02 -0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.57 2jsa h LEU 38 Cb 0.47 0.19 -0.09 0.00 -0.73 0.00 0.00 40.66 40.51 2jsa h LEU 38 CO -0.01 -0.44 0.20 0.49 -0.62 0.00 0.00 178.44 178.05 2jsa n PHE 39 N -5.42 0.91 0.18 1.25 3.72 0.41 -4.27 117.46 114.25 2jsa n PHE 39 Ca -0.13 -0.91 0.12 0.00 -0.05 0.00 0.00 57.45 56.48 2jsa n PHE 39 Cb 0.37 -0.46 0.66 0.00 -0.94 0.00 0.00 39.48 39.11 2jsa n PHE 39 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 2jsa h HIS 40 N 0.31 0.00 -2.25 1.38 2.07 -1.04 -3.01 115.15 112.60 2jsa h HIS 40 Ca 0.19 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 57.10 2jsa h HIS 40 Cb 1.55 0.00 -0.42 0.00 2.57 0.00 0.00 27.41 31.11 2jsa h HIS 40 CO 0.47 0.00 -0.57 0.25 -3.07 0.00 0.00 177.93 175.02 2jsa n THR 41 N -4.47 2.39 -3.79 6.12 -2.24 -1.26 -5.02 114.28 106.00 2jsa n THR 41 Ca 0.01 -5.22 -0.13 0.00 -2.27 0.00 0.00 64.05 56.44 2jsa n THR 41 Cb 0.24 -2.10 -0.11 0.00 -2.10 0.00 0.00 70.33 66.26 2jsa n THR 41 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jsa s ILE 42 N -2.44 0.02 -0.69 2.28 1.01 -1.14 -5.06 121.20 115.19 2jsa s ILE 42 Ca 0.39 -0.17 -0.27 0.00 0.00 0.00 0.00 60.65 60.61 2jsa s ILE 42 Cb 0.14 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 42.18 2jsa s ILE 42 CO -0.02 -0.09 1.57 -2.16 0.00 0.00 0.00 174.94 174.24 2jsa s PRO 43 N -0.30 2.92 0.00 2.79 0.04 -1.26 -3.00 135.00 136.20 2jsa s PRO 43 Ca -0.04 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.14 2jsa s PRO 43 Cb -0.03 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2jsa s PRO 43 CO 0.01 -2.45 0.00 0.34 0.04 0.00 0.00 177.00 174.95 2jsa n PHE 44 N 11.04 0.00 -0.12 0.56 7.35 -1.26 -4.90 117.46 130.13 2jsa n PHE 44 Ca 0.12 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.68 2jsa n PHE 44 Cb 0.50 -0.29 -0.09 0.00 0.35 0.00 0.00 39.48 39.96 2jsa n PHE 44 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 2jsa h GLY 45 N 0.00 -0.97 1.05 7.13 0.00 -1.83 0.26 103.07 108.72 2jsa h GLY 45 Ca 0.00 0.69 -0.05 0.00 0.00 0.00 0.00 47.33 47.98 2jsa h GLY 45 CO 0.00 -0.14 0.31 -0.91 0.00 0.00 0.00 176.54 175.80 2jsa h THR 46 N -0.42 1.26 -0.86 4.70 1.35 -1.80 -1.57 112.91 115.57 2jsa h THR 46 Ca 0.07 -0.84 0.16 0.00 -0.55 0.00 0.00 66.41 65.25 2jsa h THR 46 Cb 0.61 0.32 -0.07 0.00 -1.73 0.00 0.00 68.15 67.28 2jsa h THR 46 CO -0.57 0.34 0.56 0.03 -0.25 0.00 0.00 175.52 175.63 2jsa h ARG 47 N 1.17 0.55 0.08 4.72 2.47 -1.47 0.96 114.38 122.86 2jsa h ARG 47 Ca 0.26 -0.03 -0.26 0.00 -1.26 0.00 0.00 59.98 58.70 2jsa h ARG 47 Cb 0.23 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2jsa h ARG 47 CO -0.02 0.36 -1.12 1.49 0.56 0.00 0.00 179.97 181.24 2jsa h GLU 48 N 0.57 0.34 -0.87 0.04 4.57 0.09 -3.01 114.58 116.30 2jsa h GLU 48 Ca 0.43 -0.47 0.10 0.00 -1.18 0.00 0.00 59.36 58.24 2jsa h GLU 48 Cb 0.84 0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 29.51 2jsa h GLU 48 CO -0.18 1.18 0.51 0.00 -1.18 0.00 0.00 179.01 179.34 2jsa h ASP 50 N 0.84 0.89 -0.21 0.00 1.82 -1.27 -0.59 116.42 117.90 2jsa h ASP 50 Ca 0.42 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 2jsa h ASP 50 Cb 0.40 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.17 2jsa h ASP 50 CO -0.25 0.98 0.00 1.57 -1.61 0.00 0.00 179.24 179.93 2jsa n HIS 51 N -4.17 0.37 -0.06 0.28 -0.00 0.44 -3.79 115.22 108.29 2jsa n HIS 51 Ca 0.02 -0.16 -0.13 0.00 0.46 0.00 0.00 57.72 57.91 2jsa n HIS 51 Cb 0.35 -0.06 -0.05 0.00 -0.12 0.00 0.00 29.99 30.12 2jsa n HIS 51 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 2jsa n TYR 52 N 0.15 0.00 0.33 1.57 9.36 0.15 -4.27 117.16 124.46 2jsa n TYR 52 Ca 0.08 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.45 2jsa n TYR 52 Cb 0.27 -0.45 0.81 0.00 -0.63 0.00 0.00 39.34 39.35 2jsa n TYR 52 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 2jsa h VAL 53 N -0.39 0.00 -2.04 2.97 -1.51 -1.26 -0.39 116.25 113.63 2jsa h VAL 53 Ca -0.31 0.00 -0.57 0.00 -1.23 0.00 0.00 66.70 64.59 2jsa h VAL 53 Cb 1.29 0.66 -0.40 0.00 -2.13 0.00 0.00 31.29 30.72 2jsa h VAL 53 CO -0.17 0.00 -0.99 0.59 -1.23 0.00 0.00 177.57 175.76 2jsa n ASN 54 N -2.86 1.01 0.00 4.19 4.13 -1.25 -4.32 115.26 116.16 2jsa n ASN 54 Ca -0.02 -2.87 0.00 0.00 1.68 0.00 0.00 54.58 53.37 2jsa n ASN 54 Cb 0.37 -0.65 0.00 0.00 -1.54 0.00 0.00 39.78 37.96 2jsa n ASN 54 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2jsa n SER 55 N 1.26 0.00 0.00 6.41 7.64 -0.89 -4.89 113.62 123.15 2jsa n SER 55 Ca 0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2jsa n SER 55 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2jsa n SER 55 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jsa n LYS 56 N 0.00 0.57 -0.10 1.43 5.02 -0.21 -4.75 118.16 120.12 2jsa n LYS 56 Ca 0.00 -0.66 -0.23 0.00 -2.02 0.00 0.00 58.31 55.40 2jsa n LYS 56 Cb 0.00 -0.76 -0.12 0.00 -0.02 0.00 0.00 35.03 34.13 2jsa n LYS 56 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2jsa n VAL 57 N -0.14 1.58 -0.25 -0.18 0.31 -0.88 -2.78 118.33 115.99 2jsa n VAL 57 Ca 0.00 -0.41 0.06 0.00 -0.01 0.00 0.00 64.34 63.97 2jsa n VAL 57 Cb 0.25 -1.77 0.19 0.00 -0.91 0.00 0.00 33.84 31.60 2jsa n VAL 57 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2jsa h ASP 58 N -0.50 0.18 0.17 4.52 1.82 -1.85 0.60 116.42 121.36 2jsa h ASP 58 Ca -0.53 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.22 2jsa h ASP 58 Cb 1.71 0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.85 2jsa h ASP 58 CO -0.18 0.05 -0.08 1.55 -1.61 0.00 0.00 179.24 178.97 2jsa h PRO 59 N 0.37 -0.22 -0.52 0.28 0.13 -1.86 -2.37 132.00 127.81 2jsa h PRO 59 Ca 0.42 0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.63 2jsa h PRO 59 Cb 0.67 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 31.75 2jsa h PRO 59 CO -0.44 0.09 -0.49 0.82 -0.23 0.00 0.00 178.00 177.75 2jsa h ILE 60 N -0.98 0.05 -0.03 -3.56 2.04 -1.30 1.75 117.51 115.48 2jsa h ILE 60 Ca -0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.84 2jsa h ILE 60 Cb 0.42 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2jsa h ILE 60 CO 0.04 0.00 0.05 0.40 0.00 0.00 0.00 178.15 178.64 2jsa h ILE 61 N -0.29 0.30 -0.28 -0.67 2.04 0.08 -0.60 117.51 118.09 2jsa h ILE 61 Ca 0.13 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 2jsa h ILE 61 Cb 0.57 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2jsa h ILE 61 CO -0.65 0.00 0.07 1.12 0.00 0.00 0.00 178.15 178.68 2jsa h HIS 62 N 0.00 0.48 0.13 1.37 2.07 0.31 0.24 115.15 119.75 2jsa h HIS 62 Ca 0.01 -0.06 -0.01 0.00 -2.85 0.00 0.00 60.37 57.47 2jsa h HIS 62 Cb 0.12 -0.13 0.00 0.00 2.57 0.00 0.00 27.41 29.97 2jsa h HIS 62 CO 0.00 0.53 -0.06 0.93 -3.07 0.00 0.00 177.93 176.26 2jsa h GLU 63 N 0.29 -0.16 -0.77 5.12 3.07 0.31 -0.31 114.58 122.12 2jsa h GLU 63 Ca 0.09 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.97 2jsa h GLU 63 Cb 0.29 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 2jsa h GLU 63 CO 0.00 -0.09 0.51 -0.07 -1.40 0.00 0.00 179.01 177.96 2jsa h LEU 64 N -0.19 0.88 -0.02 1.33 3.38 -1.41 0.21 115.31 119.48 2jsa h LEU 64 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2jsa h LEU 64 Cb 0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2jsa h LEU 64 CO 0.03 0.63 -0.01 -0.33 0.09 0.00 0.00 178.44 178.85 2jsa h GLU 65 N 1.04 -0.00 -0.43 1.13 5.08 0.06 -2.83 114.58 118.62 2jsa h GLU 65 Ca 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2jsa h GLU 65 Cb -0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2jsa h GLU 65 CO -0.06 -0.00 0.22 0.78 -1.00 0.00 0.00 179.01 178.94 2jsa h GLY 66 N -0.00 0.65 0.00 -3.84 0.00 -0.47 -3.46 103.07 95.94 2jsa h GLY 66 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2jsa h GLY 66 CO -0.03 0.29 0.00 0.61 0.00 0.00 0.00 176.54 177.42 2jsa n GLY 67 N -0.94 0.21 3.39 4.60 0.00 -0.09 -5.11 105.19 107.25 2jsa n GLY 67 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2jsa n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jsa s THR 68 N -0.29 3.11 0.99 2.61 2.01 0.54 -4.98 115.64 119.64 2jsa s THR 68 Ca 0.00 -0.65 -0.12 0.00 0.31 0.00 0.00 61.69 61.23 2jsa s THR 68 Cb 0.00 -2.30 0.13 0.00 0.01 0.00 0.00 72.50 70.34 2jsa s THR 68 CO 0.00 0.53 0.74 0.00 -0.69 0.00 0.00 174.62 175.20 2jsa n ALA 69 N 3.39 -2.15 0.47 7.40 0.00 -1.26 -3.62 120.51 124.73 2jsa n ALA 69 Ca -0.18 -0.76 0.13 0.00 0.00 0.00 0.00 53.44 52.63 2jsa n ALA 69 Cb 0.53 -1.95 0.45 0.00 0.00 0.00 0.00 19.45 18.47 2jsa n ALA 69 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jsa h PRO 70 N -1.93 0.00 -0.23 0.00 0.13 -1.99 -2.28 132.00 125.70 2jsa h PRO 70 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2jsa h PRO 70 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2jsa h PRO 70 CO 0.40 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.80 2jsa n LYS 71 N -2.40 2.18 -0.07 0.86 5.02 -1.26 -3.71 118.16 118.79 2jsa n LYS 71 Ca 0.04 -1.77 -0.07 0.00 -2.02 0.00 0.00 58.31 54.48 2jsa n LYS 71 Cb 0.34 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.79 2jsa n LYS 71 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jsa n ASP 72 N 1.02 2.08 -0.05 4.39 9.92 -0.89 -4.56 116.55 128.46 2jsa n ASP 72 Ca 0.17 -0.02 -0.13 0.00 -0.53 0.00 0.00 54.79 54.29 2jsa n ASP 72 Cb 0.50 0.57 -0.07 0.00 -0.64 0.00 0.00 41.12 41.49 2jsa n ASP 72 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2jsa h VAL 73 N 0.00 1.32 0.00 2.53 2.07 -1.60 -3.03 116.25 117.54 2jsa h VAL 73 Ca -0.35 -1.14 -0.69 0.00 0.82 0.00 0.00 66.70 65.34 2jsa h VAL 73 Cb 1.73 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 2jsa h VAL 73 CO 0.00 0.33 3.29 0.00 0.02 0.00 0.00 177.57 181.21 2jsa n THR 75 N 4.74 0.00 0.15 0.00 -1.04 -1.24 -4.33 114.28 112.57 2jsa n THR 75 Ca 0.59 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.62 2jsa n THR 75 Cb 0.35 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 69.03 2jsa n THR 75 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2jsa h LYS 76 N 0.00 0.00 -0.26 -2.82 1.57 -1.56 -2.57 116.57 110.93 2jsa h LYS 76 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jsa h LYS 76 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jsa h LYS 76 CO 0.00 0.51 0.00 1.28 -0.57 0.00 0.00 179.45 180.67 2jsa n LEU 77 N -3.43 1.18 -3.18 2.94 7.99 -1.01 -4.86 117.00 116.63 2jsa n LEU 77 Ca 0.00 -0.59 -0.19 0.00 -0.01 0.00 0.00 56.01 55.22 2jsa n LEU 77 Cb 0.64 -0.17 -0.01 0.00 -0.11 0.00 0.00 43.42 43.77 2jsa n LEU 77 CO 0.40 0.28 -0.06 -3.20 -1.51 0.00 0.00 177.39 173.29 2jsa n ASN 78 N 0.09 -2.96 -0.84 -1.43 5.15 -0.97 -4.76 115.26 109.54 2jsa n ASN 78 Ca 0.07 -0.22 0.07 0.00 -0.60 0.00 0.00 54.58 53.90 2jsa n ASN 78 Cb 0.20 -2.51 0.21 0.00 -0.53 0.00 0.00 39.78 37.14 2jsa n ASN 78 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2jsa n GLU 79 N -3.37 2.97 -2.99 1.20 0.28 -1.26 -4.82 120.64 112.65 2jsa n GLU 79 Ca -0.02 -2.35 0.04 0.00 -0.16 0.00 0.00 57.16 54.67 2jsa n GLU 79 Cb 0.53 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.93 2jsa n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97