#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 7.64 -1.26 -3.18 113.62 122.97 2jsa n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jsa n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2jsa n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jsa n ALA 3 N 1.10 0.00 0.28 -0.43 0.00 -1.26 -4.88 120.51 115.31 2jsa n ALA 3 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2jsa n ALA 3 Cb 0.00 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.24 2jsa n ALA 3 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jsa h LEU 4 N 0.00 0.00 -1.54 0.00 7.12 -1.96 -1.82 115.31 117.11 2jsa h LEU 4 Ca 0.00 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.07 2jsa h LEU 4 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.10 2jsa h LEU 4 CO 0.00 0.08 0.39 -1.28 -0.13 0.00 0.00 178.44 177.50 2jsa h SER 5 N 0.00 0.50 0.07 1.25 0.87 -1.91 0.20 113.55 114.53 2jsa h SER 5 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jsa h SER 5 Cb 0.32 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2jsa h SER 5 CO 0.01 0.33 -0.04 0.00 -0.53 0.00 0.00 176.83 176.60 2jsa n GLN 7 N -2.82 -0.35 -0.33 0.00 -0.06 -1.15 0.16 117.38 112.83 2jsa n GLN 7 Ca -0.01 1.49 0.14 0.00 -2.00 0.00 0.00 57.00 56.63 2jsa n GLN 7 Cb 0.04 -2.21 0.36 0.00 -4.06 0.00 0.00 30.24 24.38 2jsa n GLN 7 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 2jsa h MET 8 N 0.00 0.67 -0.43 3.69 2.86 -0.73 0.57 114.93 121.55 2jsa h MET 8 Ca 0.24 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.74 2jsa h MET 8 Cb 0.48 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2jsa h MET 8 CO -0.94 0.44 -0.10 0.00 1.06 0.00 0.00 176.91 177.37 2jsa n GLU 10 N -4.17 0.38 -0.10 0.00 1.02 0.18 -1.84 120.64 116.11 2jsa n GLU 10 Ca 0.01 0.07 -0.24 0.00 -0.02 0.00 0.00 57.16 56.98 2jsa n GLU 10 Cb 0.36 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.17 2jsa n GLU 10 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2jsa n LEU 11 N -1.24 2.03 -0.13 -4.62 7.94 -0.26 -2.77 117.00 117.95 2jsa n LEU 11 Ca 0.11 0.35 -0.09 0.00 -1.11 0.00 0.00 56.01 55.27 2jsa n LEU 11 Cb 0.16 -0.94 -0.01 0.00 0.53 0.00 0.00 43.42 43.15 2jsa n LEU 11 CO 0.16 0.46 0.88 -0.37 -1.11 0.00 0.00 177.39 177.41 2jsa h VAL 12 N -0.82 1.22 0.68 1.96 -1.51 -1.27 -1.79 116.25 114.71 2jsa h VAL 12 Ca -0.46 -0.71 -0.03 0.00 -1.23 0.00 0.00 66.70 64.26 2jsa h VAL 12 Cb 1.50 0.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.62 2jsa h VAL 12 CO -0.23 0.25 -0.33 -0.37 -1.23 0.00 0.00 177.57 175.66 2jsa h VAL 13 N 0.48 0.19 -1.46 7.19 -1.51 -1.56 0.36 116.25 119.93 2jsa h VAL 13 Ca 0.12 -0.25 0.44 0.00 -1.23 0.00 0.00 66.70 65.78 2jsa h VAL 13 Cb 0.26 0.24 -0.08 0.00 -2.13 0.00 0.00 31.29 29.58 2jsa h VAL 13 CO -0.00 0.02 1.02 0.50 -1.23 0.00 0.00 177.57 177.88 2jsa h LYS 14 N -1.12 0.06 0.24 5.19 3.64 -1.49 2.02 116.57 125.11 2jsa h LYS 14 Ca -0.09 -0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.94 2jsa h LYS 14 Cb 0.73 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.57 2jsa h LYS 14 CO 0.15 0.04 -1.55 0.87 -2.27 0.00 0.00 179.45 176.69 2jsa h LYS 15 N 0.06 0.51 0.14 1.90 1.79 -0.84 -2.93 116.57 117.21 2jsa h LYS 15 Ca 0.76 -0.87 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 2jsa h LYS 15 Cb 2.76 0.33 0.00 0.00 -1.58 0.00 0.00 32.23 33.74 2jsa h LYS 15 CO -0.15 1.42 -0.07 -0.92 -1.08 0.00 0.00 179.45 178.65 2jsa h TYR 16 N 0.14 -0.18 -1.07 -1.35 3.20 0.68 -0.15 116.97 118.25 2jsa h TYR 16 Ca -0.28 -0.00 0.31 0.00 3.14 0.00 0.00 58.73 61.90 2jsa h TYR 16 Cb 2.16 0.06 -0.12 0.00 1.54 0.00 0.00 36.73 40.36 2jsa h TYR 16 CO 0.12 -0.11 0.65 0.93 -1.64 0.00 0.00 178.16 178.11 2jsa h GLU 17 N -0.41 0.35 -1.66 1.82 4.39 0.13 0.15 114.58 119.34 2jsa h GLU 17 Ca -0.02 -0.02 -0.64 0.00 0.34 0.00 0.00 59.36 59.02 2jsa h GLU 17 Cb 0.15 -0.08 -0.38 0.00 -0.10 0.00 0.00 28.75 28.34 2jsa h GLU 17 CO 0.03 0.23 -0.23 0.41 -1.16 0.00 0.00 179.01 178.29 2jsa n GLY 18 N -1.38 5.87 0.18 -3.84 0.00 -1.11 -4.64 105.19 100.27 2jsa n GLY 18 Ca 0.30 -2.69 -0.18 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.49 2.11 -0.04 1.61 2.88 0.53 -4.72 113.62 115.49 2jsa n SER 19 Ca 0.43 0.02 -0.01 0.00 -1.33 0.00 0.00 58.87 57.99 2jsa n SER 19 Cb 0.54 -0.44 -0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 -3.41 -0.01 0.02 -1.46 0.00 -1.26 -4.70 120.51 109.69 2jsa n ALA 20 Ca -0.39 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2jsa n ALA 20 Cb 0.86 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.69 0.32 -4.38 0.00 -0.08 -1.26 -5.00 116.55 105.47 2jsa n ASP 21 Ca -0.01 -0.48 -0.38 0.00 -1.51 0.00 0.00 54.79 52.42 2jsa n ASP 21 Cb 0.35 1.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.75 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 -1.04 -1.63 -4.06 -0.67 4.01 -1.26 -4.89 118.16 108.61 2jsa n LYS 22 Ca 0.00 0.22 -0.32 0.00 -0.51 0.00 0.00 58.31 57.70 2jsa n LYS 22 Cb 0.01 -4.62 -0.16 0.00 -0.51 0.00 0.00 35.03 29.75 2jsa n LYS 22 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2jsa s ASP 23 N -3.54 3.52 0.00 4.39 2.15 -1.26 -4.96 116.67 116.97 2jsa s ASP 23 Ca 0.61 -0.91 0.21 0.00 0.43 0.00 0.00 52.55 52.89 2jsa s ASP 23 Cb -0.35 -1.39 1.13 0.00 -0.30 0.00 0.00 42.92 42.01 2jsa s ASP 23 CO 0.99 -0.10 1.64 0.00 -0.17 0.00 0.00 175.17 177.53 2jsa n ALA 24 N 4.61 2.16 -0.06 3.66 0.00 -1.26 -1.25 120.51 128.37 2jsa n ALA 24 Ca -0.17 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 2jsa n ALA 24 Cb 0.47 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 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 0.17 0.59 0.00 4.21 -1.98 -2.74 115.58 115.83 2jsa h ASN 25 Ca 0.00 -0.70 0.00 0.00 1.21 0.00 0.00 56.30 56.81 2jsa h ASN 25 Cb 0.11 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 2jsa h ASN 25 CO 0.00 1.59 -0.12 0.52 -1.29 0.00 0.00 177.43 178.14 2jsa n VAL 26 N -4.11 0.00 -0.10 2.81 0.31 -1.09 -2.21 118.33 113.95 2jsa n VAL 26 Ca -0.30 -0.02 -0.17 0.00 -0.01 0.00 0.00 64.34 63.84 2jsa n VAL 26 Cb 0.81 -0.23 -0.08 0.00 -0.91 0.00 0.00 33.84 33.43 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 -1.24 1.50 0.07 2.52 5.41 -0.38 -2.69 119.36 124.55 2jsa n ILE 27 Ca 0.11 0.04 0.01 0.00 1.00 0.00 0.00 62.75 63.91 2jsa n ILE 27 Cb 0.29 -2.15 0.35 0.00 -0.71 0.00 0.00 39.64 37.43 2jsa n ILE 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 2jsa h LYS 28 N -1.00 0.35 0.09 0.38 2.10 -1.57 -1.87 116.57 115.04 2jsa h LYS 28 Ca -0.25 -0.08 -0.00 0.00 -2.00 0.00 0.00 60.65 58.31 2jsa h LYS 28 Cb 1.07 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 2jsa h LYS 28 CO -0.15 0.45 -0.04 0.87 -2.00 0.00 0.00 179.45 178.57 2jsa h LYS 29 N 0.33 -0.12 -0.59 0.07 1.57 -1.61 -2.99 116.57 113.23 2jsa h LYS 29 Ca 0.07 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.98 2jsa h LYS 29 Cb 0.36 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.59 2jsa h LYS 29 CO 0.02 0.31 -0.07 -0.44 -0.57 0.00 0.00 179.45 178.69 2jsa h ASP 30 N -0.59 -0.40 -0.44 0.86 3.32 -1.28 -0.70 116.42 117.19 2jsa h ASP 30 Ca -0.01 0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.28 2jsa h ASP 30 Cb 0.48 0.31 -0.10 0.00 0.22 0.00 0.00 39.33 40.25 2jsa h ASP 30 CO 0.02 -0.15 -0.36 0.15 -1.72 0.00 0.00 179.24 177.18 2jsa h PHE 31 N 0.05 -1.00 -0.05 4.55 3.04 -1.32 1.23 116.94 123.45 2jsa h PHE 31 Ca 0.30 0.06 0.01 0.00 3.98 0.00 0.00 57.97 62.32 2jsa h PHE 31 Cb 0.47 0.50 -0.00 0.00 2.56 0.00 0.00 35.95 39.48 2jsa h PHE 31 CO -0.42 -0.40 0.22 0.22 -2.02 0.00 0.00 178.31 175.91 2jsa h ASP 32 N -0.26 0.00 0.26 0.41 3.58 -1.00 0.21 116.42 119.61 2jsa h ASP 32 Ca 0.17 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 2jsa h ASP 32 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2jsa h ASP 32 CO -0.57 0.00 -0.12 0.00 -2.88 0.00 0.00 179.24 175.66 2jsa h ALA 33 N 1.61 -0.34 -0.11 -0.78 0.00 0.22 0.21 119.26 120.06 2jsa h ALA 33 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2jsa h ALA 33 Cb 0.46 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jsa h ALA 33 CO -0.00 -0.38 0.00 -1.91 0.00 0.00 0.00 179.25 176.96 2jsa n GLU 34 N -5.01 1.56 -0.02 0.00 4.07 -0.39 -3.11 120.64 117.74 2jsa n GLU 34 Ca -0.07 -0.53 -0.03 0.00 -0.06 0.00 0.00 57.16 56.47 2jsa n GLU 34 Cb 0.24 -1.45 -0.02 0.00 -0.06 0.00 0.00 31.44 30.16 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 -0.03 -0.78 -0.16 0.00 1.57 -0.58 0.32 116.57 116.91 2jsa h LYS 36 Ca -0.08 0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 2jsa h LYS 36 Cb 1.11 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2jsa h LYS 36 CO -0.02 -0.47 -0.38 1.57 -0.57 0.00 0.00 179.45 179.58 2jsa h LYS 37 N -0.97 0.34 0.65 3.15 2.10 -1.76 0.76 116.57 120.83 2jsa h LYS 37 Ca -0.08 -0.16 -0.03 0.00 -2.00 0.00 0.00 60.65 58.38 2jsa h LYS 37 Cb 0.67 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 32.00 2jsa h LYS 37 CO 0.14 0.67 -0.32 1.25 -2.00 0.00 0.00 179.45 179.19 2jsa h LEU 38 N 0.29 -0.76 -5.21 7.07 6.46 -1.66 -3.31 115.31 118.19 2jsa h LEU 38 Ca 0.03 0.03 -0.57 0.00 -0.12 0.00 0.00 57.88 57.25 2jsa h LEU 38 Cb 0.80 0.20 -0.42 0.00 -0.73 0.00 0.00 40.66 40.52 2jsa h LEU 38 CO 0.06 -0.54 -0.74 0.49 -0.62 0.00 0.00 178.44 177.10 2jsa n PHE 39 N -5.47 3.41 0.29 1.25 3.72 0.11 -4.87 117.46 115.89 2jsa n PHE 39 Ca -0.13 -3.77 -0.13 0.00 -0.05 0.00 0.00 57.45 53.37 2jsa n PHE 39 Cb 0.36 -0.40 -0.06 0.00 -0.94 0.00 0.00 39.48 38.44 2jsa n PHE 39 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2jsa h HIS 40 N 2.90 -0.74 -0.89 1.38 -0.00 0.46 -3.13 115.15 115.14 2jsa h HIS 40 Ca 0.15 -0.02 0.15 0.00 -0.00 0.00 0.00 60.37 60.65 2jsa h HIS 40 Cb 0.66 0.24 -0.09 0.00 -0.00 0.00 0.00 27.41 28.22 2jsa h HIS 40 CO 0.78 -0.45 0.49 0.00 -0.00 0.00 0.00 177.93 178.75 2jsa h THR 41 N -1.20 0.76 -1.03 6.26 1.03 -1.89 -3.43 112.91 113.41 2jsa h THR 41 Ca -0.08 -0.24 -0.60 0.00 -0.01 0.00 0.00 66.41 65.47 2jsa h THR 41 Cb 0.62 -0.00 0.11 0.00 -1.07 0.00 0.00 68.15 67.81 2jsa h THR 41 CO 0.13 0.13 -0.56 -0.38 -0.01 0.00 0.00 175.52 174.84 2jsa n ILE 42 N -4.81 1.60 -0.04 0.00 2.08 -1.21 -4.88 119.36 112.10 2jsa n ILE 42 Ca 0.18 -0.46 -0.14 0.00 0.56 0.00 0.00 62.75 62.89 2jsa n ILE 42 Cb 0.43 0.00 -0.11 0.00 -0.75 0.00 0.00 39.64 39.21 2jsa n ILE 42 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 2jsa h PRO 43 N 0.80 0.08 -0.65 0.38 0.13 -1.87 -3.32 132.00 127.55 2jsa h PRO 43 Ca -0.27 -0.08 -0.35 0.00 -0.87 0.00 0.00 66.00 64.43 2jsa h PRO 43 Cb 1.32 0.02 -0.21 0.00 0.13 0.00 0.00 31.00 32.26 2jsa h PRO 43 CO 0.50 0.81 0.23 1.97 -0.23 0.00 0.00 178.00 181.28 2jsa n PHE 44 N -4.64 2.03 0.00 1.56 1.16 -1.26 -4.55 117.46 111.75 2jsa n PHE 44 Ca -0.09 -1.81 0.00 0.00 -1.87 0.00 0.00 57.45 53.68 2jsa n PHE 44 Cb 0.42 -0.72 0.00 0.00 -1.61 0.00 0.00 39.48 37.57 2jsa n PHE 44 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2jsa n GLY 45 N -1.11 0.30 0.34 4.97 0.00 -1.25 -3.36 105.19 105.08 2jsa n GLY 45 Ca 0.46 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.56 2jsa n GLY 45 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jsa h THR 46 N 0.00 0.98 -0.08 2.61 1.35 -1.76 0.27 112.91 116.28 2jsa h THR 46 Ca 0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2jsa h THR 46 Cb 0.00 0.37 -0.00 0.00 -1.73 0.00 0.00 68.15 66.78 2jsa h THR 46 CO 0.00 0.10 0.05 -0.09 -0.25 0.00 0.00 175.52 175.33 2jsa h ARG 47 N 0.56 0.10 -0.28 4.72 9.65 -1.80 -1.90 114.38 125.43 2jsa h ARG 47 Ca 0.27 -0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 58.99 2jsa h ARG 47 Cb 0.33 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 2jsa h ARG 47 CO -0.08 0.08 -0.42 1.49 2.80 0.00 0.00 179.97 183.84 2jsa h GLU 48 N 0.09 0.70 -0.02 0.20 4.22 -1.32 -2.47 114.58 115.97 2jsa h GLU 48 Ca 0.03 -0.37 0.01 0.00 0.08 0.00 0.00 59.36 59.11 2jsa h GLU 48 Cb 0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2jsa h GLU 48 CO -0.01 0.98 -0.29 0.00 -2.18 0.00 0.00 179.01 177.52 2jsa h ASP 50 N -0.35 0.00 -0.28 0.00 3.32 -1.38 1.54 116.42 119.26 2jsa h ASP 50 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2jsa h ASP 50 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2jsa h ASP 50 CO -0.20 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.73 2jsa n HIS 51 N -4.05 0.37 -0.04 4.55 8.25 0.12 -3.77 115.22 120.64 2jsa n HIS 51 Ca 0.06 -0.18 -0.07 0.00 -0.26 0.00 0.00 57.72 57.26 2jsa n HIS 51 Cb 0.49 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 2jsa n HIS 51 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2jsa n TYR 52 N 0.33 0.00 0.27 4.41 9.36 0.51 -4.11 117.16 127.93 2jsa n TYR 52 Ca 0.10 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.50 2jsa n TYR 52 Cb 0.25 -0.27 0.91 0.00 -0.63 0.00 0.00 39.34 39.59 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 -0.22 0.19 -1.92 2.97 -1.51 -1.27 0.38 116.25 114.86 2jsa h VAL 53 Ca -0.19 0.00 -0.50 0.00 -1.23 0.00 0.00 66.70 64.79 2jsa h VAL 53 Cb 1.18 0.80 -0.41 0.00 -2.13 0.00 0.00 31.29 30.73 2jsa h VAL 53 CO -0.10 0.00 -1.05 -3.20 -1.23 0.00 0.00 177.57 172.00 2jsa n ASN 54 N -3.31 1.95 0.00 4.19 5.15 -1.25 -4.38 115.26 117.61 2jsa n ASN 54 Ca -0.00 -3.17 0.00 0.00 -0.60 0.00 0.00 54.58 50.81 2jsa n ASN 54 Cb 0.31 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 2jsa n ASN 54 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2jsa n SER 55 N 0.08 0.00 -0.09 1.20 2.88 -0.77 -4.89 113.62 112.03 2jsa n SER 55 Ca 0.25 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.83 2jsa n SER 55 Cb 0.62 0.03 0.06 0.00 -0.75 0.00 0.00 64.21 64.17 2jsa n SER 55 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jsa n LYS 56 N -1.11 1.58 -0.12 -1.46 4.01 0.05 -4.70 118.16 116.42 2jsa n LYS 56 Ca 0.00 -1.79 -0.25 0.00 -0.51 0.00 0.00 58.31 55.77 2jsa n LYS 56 Cb 0.00 -1.09 -0.11 0.00 -0.51 0.00 0.00 35.03 33.31 2jsa n LYS 56 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2jsa n VAL 57 N -0.78 1.54 -0.25 -0.18 0.31 -0.77 -2.86 118.33 115.36 2jsa n VAL 57 Ca 0.07 -0.41 0.04 0.00 -0.01 0.00 0.00 64.34 64.03 2jsa n VAL 57 Cb 0.50 -1.76 0.17 0.00 -0.91 0.00 0.00 33.84 31.84 2jsa n VAL 57 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2jsa h ASP 58 N -0.62 0.22 0.17 4.52 3.32 -1.84 0.57 116.42 122.76 2jsa h ASP 58 Ca -0.59 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 2jsa h ASP 58 Cb 1.69 0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.35 2jsa h ASP 58 CO -0.25 0.08 -0.08 1.55 -1.72 0.00 0.00 179.24 178.81 2jsa h PRO 59 N 0.40 -0.23 -0.47 3.56 0.13 -1.85 -2.42 132.00 131.12 2jsa h PRO 59 Ca 0.39 0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.60 2jsa h PRO 59 Cb 0.60 0.05 -0.09 0.00 0.13 0.00 0.00 31.00 31.69 2jsa h PRO 59 CO -0.41 0.10 -0.51 0.82 -0.23 0.00 0.00 178.00 177.77 2jsa h ILE 60 N -0.98 0.04 -0.05 -3.56 2.04 -1.34 1.65 117.51 115.31 2jsa h ILE 60 Ca -0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2jsa h ILE 60 Cb 0.43 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2jsa h ILE 60 CO 0.04 0.00 0.10 0.40 0.00 0.00 0.00 178.15 178.69 2jsa h ILE 61 N -0.33 0.26 0.21 -0.67 2.04 0.01 -1.34 117.51 117.69 2jsa h ILE 61 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 2jsa h ILE 61 Cb 0.58 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2jsa h ILE 61 CO -0.63 0.00 -0.10 1.12 0.00 0.00 0.00 178.15 178.54 2jsa h HIS 62 N 0.00 -0.27 -0.30 1.37 2.07 0.29 0.16 115.15 118.48 2jsa h HIS 62 Ca 0.02 -0.01 0.06 0.00 -2.85 0.00 0.00 60.37 57.60 2jsa h HIS 62 Cb 0.22 0.09 -0.06 0.00 2.57 0.00 0.00 27.41 30.23 2jsa h HIS 62 CO 0.00 0.02 -0.07 0.93 -3.07 0.00 0.00 177.93 175.74 2jsa h GLU 63 N -0.55 0.01 -0.95 5.12 3.07 0.04 0.67 114.58 121.98 2jsa h GLU 63 Ca -0.03 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 2jsa h GLU 63 Cb 0.41 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.27 2jsa h GLU 63 CO 0.05 0.01 0.63 -0.07 -1.40 0.00 0.00 179.01 178.22 2jsa h LEU 64 N 0.01 1.09 0.39 1.33 3.38 -1.44 0.47 115.31 120.54 2jsa h LEU 64 Ca 0.14 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2jsa h LEU 64 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2jsa h LEU 64 CO -0.30 0.78 -0.34 -0.33 0.09 0.00 0.00 178.44 178.34 2jsa h GLU 65 N 1.28 -0.71 -0.56 1.13 5.08 0.86 -2.70 114.58 118.96 2jsa h GLU 65 Ca 0.35 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.83 2jsa h GLU 65 Cb -0.13 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 2jsa h GLU 65 CO -0.08 -0.48 0.26 0.78 -1.00 0.00 0.00 179.01 178.49 2jsa h GLY 66 N -0.74 0.79 0.00 -3.84 0.00 -0.62 -3.45 103.07 95.21 2jsa h GLY 66 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2jsa h GLY 66 CO -0.04 0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.18 2jsa n GLY 67 N -1.27 0.21 3.53 4.60 0.00 -0.16 -5.11 105.19 106.98 2jsa n GLY 67 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.21 3.53 0.98 2.61 2.01 0.15 -4.97 115.64 119.74 2jsa s THR 68 Ca 0.00 -0.53 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 2jsa s THR 68 Cb 0.00 -2.44 0.13 0.00 0.01 0.00 0.00 72.50 70.20 2jsa s THR 68 CO 0.00 0.58 0.81 0.00 -0.69 0.00 0.00 174.62 175.32 2jsa n ALA 69 N 2.48 -1.92 0.65 7.40 0.00 -1.26 -3.77 120.51 124.09 2jsa n ALA 69 Ca -0.18 -0.72 0.11 0.00 0.00 0.00 0.00 53.44 52.66 2jsa n ALA 69 Cb 0.53 -2.00 0.46 0.00 0.00 0.00 0.00 19.45 18.44 2jsa n ALA 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jsa n PRO 70 N -3.40 0.10 -0.02 0.00 -0.04 -1.26 -2.33 135.00 128.05 2jsa n PRO 70 Ca 0.08 0.21 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 2jsa n PRO 70 Cb 0.54 -1.65 -0.17 0.00 -0.04 0.00 0.00 33.50 32.18 2jsa n PRO 70 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jsa n LYS 71 N -1.82 0.66 0.08 0.54 5.02 -1.26 -4.04 118.16 117.34 2jsa n LYS 71 Ca 0.05 -0.18 -0.04 0.00 -2.02 0.00 0.00 58.31 56.11 2jsa n LYS 71 Cb 0.29 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 2jsa n LYS 71 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2jsa h ASP 72 N 0.00 0.00 -0.11 4.39 3.32 -1.82 -3.27 116.42 118.92 2jsa h ASP 72 Ca -0.04 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 2jsa h ASP 72 Cb 1.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 2jsa h ASP 72 CO 0.00 0.86 -0.02 0.58 -1.72 0.00 0.00 179.24 178.95 2jsa h VAL 73 N 0.00 1.28 0.00 -1.35 2.07 -1.63 -2.38 116.25 114.24 2jsa h VAL 73 Ca -0.01 -0.90 -0.53 0.00 0.82 0.00 0.00 66.70 66.08 2jsa h VAL 73 Cb 1.63 1.66 0.02 0.00 -1.52 0.00 0.00 31.29 33.08 2jsa h VAL 73 CO 0.11 0.26 3.01 0.00 0.02 0.00 0.00 177.57 180.97 2jsa n THR 75 N 4.31 0.00 -0.18 0.00 -1.04 -1.22 -3.96 114.28 112.19 2jsa n THR 75 Ca 0.56 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.52 2jsa n THR 75 Cb 0.22 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.77 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 0.66 -1.13 -2.82 1.57 -1.28 -0.86 116.57 112.71 2jsa h LYS 76 Ca 0.00 -0.04 -0.42 0.00 -1.87 0.00 0.00 60.65 58.32 2jsa h LYS 76 Cb 0.00 -0.15 -0.21 0.00 0.08 0.00 0.00 32.23 31.95 2jsa h LYS 76 CO 0.00 0.44 0.54 1.28 -0.57 0.00 0.00 179.45 181.13 2jsa n LEU 77 N -4.75 6.27 -3.20 2.94 4.77 -1.19 -4.83 117.00 117.02 2jsa n LEU 77 Ca 0.04 -3.33 -0.16 0.00 -0.03 0.00 0.00 56.01 52.53 2jsa n LEU 77 Cb 0.06 -0.87 -0.02 0.00 -2.33 0.00 0.00 43.42 40.26 2jsa n LEU 77 CO 0.33 1.09 -0.06 0.59 -1.33 0.00 0.00 177.39 178.01 2jsa n ASN 78 N -0.47 -1.65 -0.01 -1.43 4.13 -0.33 -4.70 115.26 110.80 2jsa n ASN 78 Ca 0.43 -0.13 0.06 0.00 1.68 0.00 0.00 54.58 56.63 2jsa n ASN 78 Cb 1.02 -1.49 0.37 0.00 -1.54 0.00 0.00 39.78 38.13 2jsa n ASN 78 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2jsa n GLU 79 N -3.10 1.02 -3.64 3.52 1.02 -1.26 -4.72 120.64 113.48 2jsa n GLU 79 Ca 0.03 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2jsa n GLU 79 Cb 0.49 -1.20 -0.07 0.00 -0.02 0.00 0.00 31.44 30.65 2jsa n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31