#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsa s SER 2 N 0.00 5.84 0.11 0.55 0.15 -1.20 -3.47 113.70 115.68 2jsa s SER 2 Ca 0.00 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 55.11 2jsa s SER 2 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2jsa s SER 2 CO 0.00 -2.17 0.00 0.00 1.20 0.00 0.00 173.24 172.27 2jsa n ALA 3 N 11.56 0.00 -0.09 5.45 0.00 -1.26 -4.95 120.51 131.22 2jsa n ALA 3 Ca 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.77 2jsa n ALA 3 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 2jsa n ALA 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jsa n LEU 4 N -2.58 1.85 -0.31 0.00 7.99 -1.24 -3.67 117.00 119.04 2jsa n LEU 4 Ca 0.00 0.32 0.24 0.00 -0.01 0.00 0.00 56.01 56.56 2jsa n LEU 4 Cb 0.00 -0.73 0.55 0.00 -0.11 0.00 0.00 43.42 43.13 2jsa n LEU 4 CO 0.00 -0.28 1.24 -1.28 -1.51 0.00 0.00 177.39 175.55 2jsa h SER 5 N -0.95 0.36 0.00 -1.43 0.87 -1.95 0.65 113.55 111.09 2jsa h SER 5 Ca 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2jsa h SER 5 Cb 0.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2jsa h SER 5 CO 0.00 0.08 0.00 0.00 -0.53 0.00 0.00 176.83 176.38 2jsa n GLN 7 N -1.07 -0.15 -0.33 0.00 1.13 -1.01 0.18 117.38 116.13 2jsa n GLN 7 Ca 0.00 1.51 0.19 0.00 -1.94 0.00 0.00 57.00 56.76 2jsa n GLN 7 Cb 0.00 -2.25 0.40 0.00 0.11 0.00 0.00 30.24 28.50 2jsa n GLN 7 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 2jsa h MET 8 N 0.00 0.45 -0.41 -1.09 2.86 0.20 1.60 114.93 118.53 2jsa h MET 8 Ca 0.41 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 58.05 2jsa h MET 8 Cb 0.65 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 2jsa h MET 8 CO -0.99 0.30 0.28 0.00 1.06 0.00 0.00 176.91 177.55 2jsa n GLU 10 N -4.48 0.39 -0.05 0.00 2.13 0.54 -2.18 120.64 116.98 2jsa n GLU 10 Ca 0.04 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.64 2jsa n GLU 10 Cb 0.15 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.23 2jsa n GLU 10 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2jsa n LEU 11 N -1.30 2.33 0.01 4.31 7.94 0.20 -2.62 117.00 127.87 2jsa n LEU 11 Ca 0.14 0.28 -0.13 0.00 -1.11 0.00 0.00 56.01 55.19 2jsa n LEU 11 Cb 0.25 -1.04 -0.09 0.00 0.53 0.00 0.00 43.42 43.07 2jsa n LEU 11 CO 0.23 0.63 0.66 -0.37 -1.11 0.00 0.00 177.39 177.43 2jsa h VAL 12 N -0.39 1.24 0.91 1.96 -1.51 -1.22 -1.78 116.25 115.47 2jsa h VAL 12 Ca -0.42 -0.91 -0.04 0.00 -1.23 0.00 0.00 66.70 64.09 2jsa h VAL 12 Cb 1.73 1.85 0.01 0.00 -2.13 0.00 0.00 31.29 32.75 2jsa h VAL 12 CO -0.06 0.23 -0.44 -0.37 -1.23 0.00 0.00 177.57 175.70 2jsa h VAL 13 N -0.45 0.07 -1.30 7.19 -1.51 -1.64 0.48 116.25 119.08 2jsa h VAL 13 Ca -0.00 -0.05 0.39 0.00 -1.23 0.00 0.00 66.70 65.81 2jsa h VAL 13 Cb 0.41 0.07 -0.10 0.00 -2.13 0.00 0.00 31.29 29.54 2jsa h VAL 13 CO 0.01 0.00 0.87 0.50 -1.23 0.00 0.00 177.57 177.72 2jsa h LYS 14 N -1.27 0.13 0.07 5.19 3.64 -1.58 2.00 116.57 124.76 2jsa h LYS 14 Ca -0.13 -0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 58.99 2jsa h LYS 14 Cb 0.94 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.76 2jsa h LYS 14 CO 0.21 0.09 -1.06 0.87 -2.27 0.00 0.00 179.45 177.29 2jsa h LYS 15 N 0.14 0.59 0.00 1.90 1.79 -0.60 -3.01 116.57 117.38 2jsa h LYS 15 Ca 0.73 -0.73 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jsa h LYS 15 Cb 2.39 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 33.27 2jsa h LYS 15 CO -0.27 1.31 0.00 0.98 -1.08 0.00 0.00 179.45 180.40 2jsa n TYR 16 N -3.91 0.00 -0.28 -1.35 9.36 0.50 -1.18 117.16 120.31 2jsa n TYR 16 Ca -0.12 0.00 0.24 0.00 3.32 0.00 0.00 57.90 61.34 2jsa n TYR 16 Cb 0.90 -0.40 0.45 0.00 -0.63 0.00 0.00 39.34 39.65 2jsa n TYR 16 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2jsa n GLU 17 N -1.71 -0.05 -2.62 2.98 -0.58 0.56 0.81 120.64 120.04 2jsa n GLU 17 Ca 0.00 1.19 -0.27 0.00 -0.42 0.00 0.00 57.16 57.66 2jsa n GLU 17 Cb 0.00 -2.08 -0.01 0.00 -0.57 0.00 0.00 31.44 28.78 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 -1.26 5.87 0.12 0.62 0.00 -1.14 -4.75 105.19 104.65 2jsa n GLY 18 Ca 0.30 -2.77 -0.23 0.00 0.00 0.00 0.00 46.02 43.32 2jsa n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jsa n SER 19 N -0.41 1.97 0.00 1.61 2.88 0.24 -4.69 113.62 115.22 2jsa n SER 19 Ca 0.36 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2jsa n SER 19 Cb 0.58 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2jsa n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jsa n ALA 20 N -3.38 0.00 -0.01 -1.46 0.00 -1.26 -4.71 120.51 109.68 2jsa n ALA 20 Ca -0.36 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.09 2jsa n ALA 20 Cb 0.86 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.26 2jsa n ALA 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jsa n ASP 21 N 0.00 3.59 -3.42 0.00 -0.08 -1.26 -5.05 116.55 110.32 2jsa n ASP 21 Ca 0.00 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.13 2jsa n ASP 21 Cb 0.00 1.14 0.02 0.00 2.34 0.00 0.00 41.12 44.62 2jsa n ASP 21 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2jsa n LYS 22 N -1.82 -1.42 -3.58 -0.67 4.01 -1.26 -5.00 118.16 108.41 2jsa n LYS 22 Ca -0.03 1.00 -0.13 0.00 -0.51 0.00 0.00 58.31 58.64 2jsa n LYS 22 Cb 0.27 -4.43 -0.12 0.00 -0.51 0.00 0.00 35.03 30.25 2jsa n LYS 22 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2jsa s ASP 23 N -3.14 0.43 0.00 4.39 1.01 -1.26 -4.99 116.67 113.12 2jsa s ASP 23 Ca 0.15 0.45 0.09 0.00 0.71 0.00 0.00 52.55 53.95 2jsa s ASP 23 Cb -0.05 0.80 0.43 0.00 1.01 0.00 0.00 42.92 45.11 2jsa s ASP 23 CO 0.82 -0.26 1.26 0.00 0.21 0.00 0.00 175.17 177.19 2jsa n ALA 24 N 5.35 1.49 -0.07 5.23 0.00 -1.26 -0.63 120.51 130.62 2jsa n ALA 24 Ca -0.06 -0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.18 2jsa n ALA 24 Cb 0.50 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.67 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 0.04 1.06 0.00 4.21 -1.98 -1.71 115.58 117.19 2jsa h ASN 25 Ca 0.00 -0.86 0.00 0.00 1.21 0.00 0.00 56.30 56.65 2jsa h ASN 25 Cb 0.14 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 2jsa h ASN 25 CO 0.00 1.18 0.00 0.52 -1.29 0.00 0.00 177.43 177.84 2jsa n VAL 26 N -4.51 0.17 0.00 2.81 0.31 -0.88 -2.78 118.33 113.44 2jsa n VAL 26 Ca -0.17 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2jsa n VAL 26 Cb 0.57 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 2jsa n VAL 26 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2jsa n ILE 27 N -1.64 0.00 -0.33 2.52 5.41 0.20 -2.49 119.36 123.02 2jsa n ILE 27 Ca 0.07 0.29 0.19 0.00 1.00 0.00 0.00 62.75 64.29 2jsa n ILE 27 Cb 0.35 -1.07 0.36 0.00 -0.71 0.00 0.00 39.64 38.56 2jsa n ILE 27 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 2jsa n LYS 28 N -1.72 -0.07 0.11 0.38 2.85 -0.64 0.13 118.16 119.19 2jsa n LYS 28 Ca 0.00 1.42 -0.13 0.00 -1.05 0.00 0.00 58.31 58.54 2jsa n LYS 28 Cb 0.00 -2.33 -0.08 0.00 -0.65 0.00 0.00 35.03 31.97 2jsa n LYS 28 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2jsa h LYS 29 N 0.00 -0.24 -0.60 -1.58 1.57 -1.71 -3.05 116.57 110.97 2jsa h LYS 29 Ca 0.65 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.54 2jsa h LYS 29 Cb 1.47 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.72 2jsa h LYS 29 CO -0.86 0.03 -0.38 -0.44 -0.57 0.00 0.00 179.45 177.22 2jsa h ASP 30 N -0.51 -1.33 -0.89 0.86 3.32 0.14 0.11 116.42 118.11 2jsa h ASP 30 Ca -0.03 0.24 0.16 0.00 0.02 0.00 0.00 57.03 57.42 2jsa h ASP 30 Cb 0.39 0.63 -0.16 0.00 0.22 0.00 0.00 39.33 40.41 2jsa h ASP 30 CO 0.04 -0.32 -0.30 0.15 -1.72 0.00 0.00 179.24 177.09 2jsa h PHE 31 N -0.19 -0.77 -0.60 4.55 3.04 -0.66 0.80 116.94 123.11 2jsa h PHE 31 Ca 0.21 0.09 0.11 0.00 3.98 0.00 0.00 57.97 62.36 2jsa h PHE 31 Cb 0.56 0.47 -0.09 0.00 2.56 0.00 0.00 35.95 39.46 2jsa h PHE 31 CO -0.68 -0.40 0.13 0.22 -2.02 0.00 0.00 178.31 175.56 2jsa h ASP 32 N -0.03 -0.00 0.25 0.41 3.58 -0.70 0.14 116.42 120.08 2jsa h ASP 32 Ca 0.37 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.93 2jsa h ASP 32 Cb 0.62 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 2jsa h ASP 32 CO -0.92 0.01 -0.30 0.00 -2.88 0.00 0.00 179.24 175.15 2jsa h ALA 33 N 1.48 -0.96 -0.88 -0.78 0.00 0.11 0.29 119.26 118.53 2jsa h ALA 33 Ca 0.31 -0.10 0.23 0.00 0.00 0.00 0.00 54.91 55.35 2jsa h ALA 33 Cb 0.47 0.57 -0.14 0.00 0.00 0.00 0.00 17.79 18.69 2jsa h ALA 33 CO -0.40 -0.99 0.23 1.49 0.00 0.00 0.00 179.25 179.58 2jsa h GLU 34 N -0.57 0.20 -0.79 0.00 4.57 -0.58 1.17 114.58 118.58 2jsa h GLU 34 Ca -0.03 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.22 2jsa h GLU 34 Cb 0.50 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.98 2jsa h GLU 34 CO -0.06 0.13 0.45 0.00 -1.18 0.00 0.00 179.01 178.35 2jsa n LYS 36 N -4.74 0.72 -0.10 0.00 5.02 0.39 0.21 118.16 119.67 2jsa n LYS 36 Ca 0.12 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.22 2jsa n LYS 36 Cb 0.24 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.67 2jsa n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jsa n LYS 37 N -1.01 0.43 -0.14 1.97 5.02 0.36 -4.17 118.16 120.62 2jsa n LYS 37 Ca 0.17 0.16 -0.28 0.00 -2.02 0.00 0.00 58.31 56.35 2jsa n LYS 37 Cb 0.08 -1.24 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 2jsa n LYS 37 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2jsa n LEU 38 N -3.66 2.09 -0.63 -0.35 -0.00 0.37 -4.35 117.00 110.47 2jsa n LEU 38 Ca -0.37 0.27 0.03 0.00 -0.00 0.00 0.00 56.01 55.94 2jsa n LEU 38 Cb 0.79 -0.83 0.11 0.00 -0.00 0.00 0.00 43.42 43.50 2jsa n LEU 38 CO 0.06 0.63 0.52 0.49 -0.00 0.00 0.00 177.39 179.09 2jsa n PHE 39 N -4.10 0.44 0.37 1.47 3.72 0.58 -4.14 117.46 115.80 2jsa n PHE 39 Ca -0.53 -0.18 -0.16 0.00 -0.05 0.00 0.00 57.45 56.53 2jsa n PHE 39 Cb 0.90 -0.10 -0.08 0.00 -0.94 0.00 0.00 39.48 39.26 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 1.26 -0.90 -1.10 1.38 2.07 0.16 -2.87 115.15 115.15 2jsa h HIS 40 Ca 0.00 -0.02 0.35 0.00 -2.85 0.00 0.00 60.37 57.85 2jsa h HIS 40 Cb 0.58 0.30 -0.13 0.00 2.57 0.00 0.00 27.41 30.72 2jsa h HIS 40 CO 0.23 -0.53 0.67 1.79 -3.07 0.00 0.00 177.93 177.01 2jsa h THR 41 N -1.18 0.28 -3.74 6.12 1.35 -1.86 -3.39 112.91 110.49 2jsa h THR 41 Ca -0.10 -0.09 -0.51 0.00 -0.55 0.00 0.00 66.41 65.16 2jsa h THR 41 Cb 0.76 0.00 0.03 0.00 -1.73 0.00 0.00 68.15 67.21 2jsa h THR 41 CO 0.16 0.05 0.53 -0.63 -0.25 0.00 0.00 175.52 175.38 2jsa s ILE 42 N -5.52 3.34 0.00 6.82 1.01 -1.08 -4.99 121.20 120.77 2jsa s ILE 42 Ca -0.09 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.85 2jsa s ILE 42 Cb 0.29 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.94 2jsa s ILE 42 CO 0.80 0.28 0.19 -0.81 0.00 0.00 0.00 174.94 175.40 2jsa n PRO 43 N 1.42 0.00 0.34 2.79 -0.04 -1.26 -3.82 135.00 134.42 2jsa n PRO 43 Ca 0.00 0.26 0.22 0.00 -0.04 0.00 0.00 63.50 63.95 2jsa n PRO 43 Cb 0.44 -0.89 1.19 0.00 -0.04 0.00 0.00 33.50 34.21 2jsa n PRO 43 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2jsa h PHE 44 N 0.00 0.00 -0.52 0.54 -5.15 -1.94 -2.29 116.94 107.58 2jsa h PHE 44 Ca 0.00 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 57.86 2jsa h PHE 44 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 36.10 2jsa h PHE 44 CO 0.03 0.00 0.12 0.78 -2.00 0.00 0.00 178.31 177.24 2jsa h GLY 45 N 0.00 0.65 1.21 6.09 0.00 -1.81 1.38 103.07 110.59 2jsa h GLY 45 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 47.33 47.08 2jsa h GLY 45 CO 0.00 -0.07 -0.74 -0.91 0.00 0.00 0.00 176.54 174.82 2jsa h THR 46 N 0.26 1.28 -0.37 4.70 1.35 -1.51 0.14 112.91 118.76 2jsa h THR 46 Ca 0.26 -1.94 -0.03 0.00 -0.55 0.00 0.00 66.41 64.15 2jsa h THR 46 Cb 0.35 1.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 2jsa h THR 46 CO -0.33 0.62 0.13 0.03 -0.25 0.00 0.00 175.52 175.71 2jsa h ARG 47 N 0.55 0.57 -0.25 4.72 2.47 -1.31 0.11 114.38 121.24 2jsa h ARG 47 Ca -0.04 -0.12 -0.19 0.00 -1.26 0.00 0.00 59.98 58.37 2jsa h ARG 47 Cb 1.36 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 2jsa h ARG 47 CO 0.15 0.57 -0.60 1.49 0.56 0.00 0.00 179.97 182.15 2jsa h GLU 48 N 0.46 0.83 -0.54 0.04 4.22 0.18 -1.59 114.58 118.19 2jsa h GLU 48 Ca 0.12 -0.56 0.02 0.00 0.08 0.00 0.00 59.36 59.02 2jsa h GLU 48 Cb 0.23 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2jsa h GLU 48 CO -0.01 1.19 0.34 0.00 -2.18 0.00 0.00 179.01 178.35 2jsa h ASP 50 N 0.68 0.00 -0.39 0.00 1.82 -0.71 -0.64 116.42 117.19 2jsa h ASP 50 Ca 0.21 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 2jsa h ASP 50 Cb -0.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.98 2jsa h ASP 50 CO -0.07 0.12 0.00 1.57 -1.61 0.00 0.00 179.24 179.25 2jsa n HIS 51 N -3.36 0.51 -0.09 0.28 -0.00 0.28 -4.05 115.22 108.78 2jsa n HIS 51 Ca -0.01 -0.25 -0.12 0.00 0.46 0.00 0.00 57.72 57.80 2jsa n HIS 51 Cb 0.32 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.08 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 1.09 0.00 -1.15 1.57 9.36 0.13 -4.53 117.16 123.63 2jsa n TYR 52 Ca 0.18 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.22 2jsa n TYR 52 Cb 0.50 -0.79 -0.13 0.00 -0.63 0.00 0.00 39.34 38.28 2jsa n TYR 52 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 2jsa n VAL 53 N -2.93 3.23 0.00 2.97 0.24 -0.93 -1.87 118.33 119.04 2jsa n VAL 53 Ca -0.33 -1.96 0.00 0.00 -2.04 0.00 0.00 64.34 60.01 2jsa n VAL 53 Cb 0.93 -1.97 0.00 0.00 -1.47 0.00 0.00 33.84 31.33 2jsa n VAL 53 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2jsa n ASN 54 N 2.25 0.00 0.00 -1.34 5.15 -1.26 -4.88 115.26 115.18 2jsa n ASN 54 Ca 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.46 2jsa n ASN 54 Cb 0.77 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.02 2jsa n ASN 54 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2jsa n SER 55 N 0.00 0.00 -0.04 1.20 7.64 -1.22 -4.93 113.62 116.27 2jsa n SER 55 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 2jsa n SER 55 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.06 -0.13 1.43 4.76 -0.78 -4.49 118.16 119.01 2jsa n LYS 56 Ca 0.00 -0.50 -0.22 0.00 -2.87 0.00 0.00 58.31 54.71 2jsa n LYS 56 Cb 0.00 -0.97 -0.11 0.00 -1.84 0.00 0.00 35.03 32.11 2jsa n LYS 56 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2jsa n VAL 57 N -0.06 1.51 -0.24 -0.18 0.31 -1.10 -2.94 118.33 115.63 2jsa n VAL 57 Ca 0.01 -0.50 -0.02 0.00 -0.01 0.00 0.00 64.34 63.81 2jsa n VAL 57 Cb 0.03 -1.59 0.09 0.00 -0.91 0.00 0.00 33.84 31.45 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 -0.35 0.64 0.02 4.52 1.82 -1.87 0.21 116.42 121.41 2jsa h ASP 58 Ca -0.61 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.04 2jsa h ASP 58 Cb 1.80 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.69 2jsa h ASP 58 CO -0.20 0.43 -0.01 1.55 -1.61 0.00 0.00 179.24 179.40 2jsa h PRO 59 N 0.77 -0.03 -0.76 0.28 0.13 -1.79 -1.97 132.00 128.64 2jsa h PRO 59 Ca 0.29 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.59 2jsa h PRO 59 Cb 0.10 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.13 2jsa h PRO 59 CO -0.14 0.66 0.20 0.82 -0.23 0.00 0.00 178.00 179.32 2jsa h ILE 60 N -0.78 0.51 0.00 -3.56 2.04 -1.40 1.65 117.51 115.97 2jsa h ILE 60 Ca -0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jsa h ILE 60 Cb 0.71 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2jsa h ILE 60 CO 0.01 0.05 0.00 0.40 0.00 0.00 0.00 178.15 178.61 2jsa h ILE 61 N 0.29 0.00 0.00 -0.67 2.04 -0.64 -2.48 117.51 116.06 2jsa h ILE 61 Ca 0.43 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 2jsa h ILE 61 Cb 0.74 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2jsa h ILE 61 CO -0.51 0.00 -0.41 1.12 0.00 0.00 0.00 178.15 178.35 2jsa h HIS 62 N 0.00 0.00 0.00 1.37 2.07 0.32 0.14 115.15 119.05 2jsa h HIS 62 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 2jsa h HIS 62 Cb 0.61 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.58 2jsa h HIS 62 CO 0.00 0.41 -0.17 0.93 -3.07 0.00 0.00 177.93 176.03 2jsa h GLU 63 N 0.00 0.00 -0.91 5.12 4.39 -0.80 -2.15 114.58 120.23 2jsa h GLU 63 Ca -0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2jsa h GLU 63 Cb 0.84 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.45 2jsa h GLU 63 CO 0.05 0.78 0.60 -0.07 -1.16 0.00 0.00 179.01 179.21 2jsa h LEU 64 N -1.00 1.05 -1.15 1.33 3.38 -1.52 0.30 115.31 117.70 2jsa h LEU 64 Ca -0.04 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2jsa h LEU 64 Cb 0.83 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2jsa h LEU 64 CO -0.03 0.77 -0.29 1.05 0.09 0.00 0.00 178.44 180.03 2jsa h GLU 65 N 1.24 0.00 0.07 1.13 -0.00 -0.84 -2.95 114.58 113.22 2jsa h GLU 65 Ca 0.33 0.00 -0.27 0.00 -0.00 0.00 0.00 59.36 59.42 2jsa h GLU 65 Cb -0.14 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 28.63 2jsa h GLU 65 CO -0.07 0.29 -1.13 0.78 -0.00 0.00 0.00 179.01 178.88 2jsa h GLY 66 N 1.85 0.60 0.00 1.06 0.00 -0.38 -3.48 103.07 102.72 2jsa h GLY 66 Ca -0.00 -1.18 0.00 0.00 0.00 0.00 0.00 47.33 46.15 2jsa h GLY 66 CO 0.04 1.04 0.00 0.61 0.00 0.00 0.00 176.54 178.22 2jsa n GLY 67 N 1.22 0.57 3.73 4.60 0.00 0.38 -5.07 105.19 110.62 2jsa n GLY 67 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 2.51 0.68 2.61 2.01 0.78 -4.92 115.64 119.30 2jsa s THR 68 Ca 0.00 0.23 -0.06 0.00 0.31 0.00 0.00 61.69 62.16 2jsa s THR 68 Cb 0.00 -2.70 0.05 0.00 0.01 0.00 0.00 72.50 69.86 2jsa s THR 68 CO 0.00 -0.16 0.99 0.00 -0.69 0.00 0.00 174.62 174.76 2jsa s ALA 69 N -2.21 3.19 -0.33 7.40 0.00 -1.26 -3.76 121.76 124.79 2jsa s ALA 69 Ca 0.71 -0.86 0.27 0.00 0.00 0.00 0.00 51.96 52.08 2jsa s ALA 69 Cb -0.26 -2.61 0.89 0.00 0.00 0.00 0.00 23.12 21.14 2jsa s ALA 69 CO 0.47 -1.17 1.78 -1.00 0.00 0.00 0.00 175.76 175.84 2jsa h PRO 70 N -0.49 0.00 -0.72 0.00 0.13 -1.97 -1.92 132.00 127.02 2jsa h PRO 70 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jsa h PRO 70 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2jsa h PRO 70 CO 0.60 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 178.73 2jsa n LYS 71 N -2.77 2.73 -0.03 0.86 2.85 -1.26 -4.14 118.16 116.40 2jsa n LYS 71 Ca 0.03 -2.62 -0.04 0.00 -1.05 0.00 0.00 58.31 54.63 2jsa n LYS 71 Cb 0.38 -1.58 -0.03 0.00 -0.65 0.00 0.00 35.03 33.15 2jsa n LYS 71 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2jsa n ASP 72 N 1.60 3.64 -0.13 -5.58 8.00 -0.94 -4.67 116.55 118.47 2jsa n ASP 72 Ca 0.24 -0.02 -0.05 0.00 0.71 0.00 0.00 54.79 55.67 2jsa n ASP 72 Cb 0.63 0.05 0.03 0.00 -0.02 0.00 0.00 41.12 41.81 2jsa n ASP 72 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2jsa h VAL 73 N 0.00 0.87 -0.21 2.53 2.07 -1.53 -2.31 116.25 117.68 2jsa h VAL 73 Ca -0.12 -0.10 -0.57 0.00 0.82 0.00 0.00 66.70 66.72 2jsa h VAL 73 Cb 1.21 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2jsa h VAL 73 CO -0.01 0.05 2.64 0.00 0.02 0.00 0.00 177.57 180.27 2jsa n THR 75 N 2.98 0.00 0.13 0.00 -1.04 -0.88 -4.41 114.28 111.05 2jsa n THR 75 Ca 0.68 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 62.47 2jsa n THR 75 Cb 0.39 -0.08 -0.15 0.00 -1.82 0.00 0.00 70.33 68.67 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 0.48 0.00 -2.82 1.57 -1.58 -3.05 116.57 111.16 2jsa h LYS 76 Ca 0.00 -0.77 0.00 0.00 -1.87 0.00 0.00 60.65 58.01 2jsa h LYS 76 Cb 0.00 0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2jsa h LYS 76 CO 0.00 1.36 0.00 1.28 -0.57 0.00 0.00 179.45 181.52 2jsa n LEU 77 N -3.68 0.00 -2.62 2.94 7.99 -1.07 -4.81 117.00 115.75 2jsa n LEU 77 Ca -0.14 0.36 -0.19 0.00 -0.01 0.00 0.00 56.01 56.03 2jsa n LEU 77 Cb 1.06 -0.36 0.03 0.00 -0.11 0.00 0.00 43.42 44.04 2jsa n LEU 77 CO 0.58 -0.23 -0.00 -3.20 -1.51 0.00 0.00 177.39 173.03 2jsa n ASN 78 N -1.36 -5.52 -3.38 -1.43 5.15 -1.15 -4.94 115.26 102.63 2jsa n ASN 78 Ca 0.04 -0.25 -0.27 0.00 -0.60 0.00 0.00 54.58 53.51 2jsa n ASN 78 Cb 0.10 -4.35 -0.08 0.00 -0.53 0.00 0.00 39.78 34.92 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 -3.57 2.54 0.00 1.20 0.28 -1.26 -4.69 120.64 115.13 2jsa n GLU 79 Ca -0.10 -4.66 0.00 0.00 -0.16 0.00 0.00 57.16 52.25 2jsa n GLU 79 Cb 0.61 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 31.24 2jsa n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97