#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjz s ILE 4 N 0.00 1.61 -0.04 -1.44 1.01 -1.26 -4.01 121.20 117.08 1sjz s ILE 4 Ca 0.00 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.86 1sjz s ILE 4 Cb 0.00 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 1sjz s ILE 4 CO 0.00 0.46 -0.21 -0.89 0.00 0.00 0.00 174.94 174.30 1sjz s THR 5 N -0.26 1.72 -0.07 2.92 2.01 -0.52 0.81 115.64 122.24 1sjz s THR 5 Ca 0.02 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.15 1sjz s THR 5 Cb -0.10 -1.45 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1sjz s THR 5 CO 0.01 0.49 -0.12 -0.51 -0.69 0.00 0.00 174.62 173.79 1sjz s ILE 6 N -0.21 1.18 -0.68 1.82 2.07 -0.47 -0.53 121.20 124.39 1sjz s ILE 6 Ca 0.00 -0.49 -0.24 0.00 -1.41 0.00 0.00 60.65 58.51 1sjz s ILE 6 Cb -0.11 -1.08 0.06 0.00 0.13 0.00 0.00 42.46 41.46 1sjz s ILE 6 CO 0.02 0.37 1.05 -0.31 -1.91 0.00 0.00 174.94 174.15 1sjz s TYR 7 N 0.76 2.57 -0.02 3.50 1.51 0.04 -1.14 117.35 124.57 1sjz s TYR 7 Ca -0.13 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.58 1sjz s TYR 7 Cb -0.16 -4.38 -0.03 0.00 -0.11 0.00 0.00 41.96 37.28 1sjz s TYR 7 CO 0.03 -1.76 -0.14 -1.58 -1.11 0.00 0.00 175.55 170.98 1sjz s HIS 8 N 4.53 2.69 -0.28 2.71 2.46 -0.00 -3.08 115.29 124.31 1sjz s HIS 8 Ca 0.26 -0.17 0.03 0.00 0.47 0.00 0.00 55.06 55.65 1sjz s HIS 8 Cb -0.14 -1.58 0.07 0.00 -0.13 0.00 0.00 32.58 30.80 1sjz s HIS 8 CO 0.12 0.23 -0.05 1.21 -2.47 0.00 0.00 174.74 173.78 1sjz s ASN 9 N -1.04 4.45 0.63 9.88 3.84 -1.26 -3.94 114.94 127.50 1sjz s ASN 9 Ca 0.13 -1.60 0.42 0.00 0.21 0.00 0.00 52.86 52.02 1sjz s ASN 9 Cb -0.11 -1.50 2.21 0.00 -0.55 0.00 0.00 41.25 41.30 1sjz s ASN 9 CO 0.03 -0.26 2.28 -0.65 -2.79 0.00 0.00 177.10 175.71 1sjz h PRO 10 N 7.76 0.00 -4.06 0.43 0.11 -1.99 -3.40 132.00 130.84 1sjz h PRO 10 Ca -0.14 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.23 1sjz h PRO 10 Cb 1.04 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.03 1sjz h PRO 10 CO 0.47 0.00 2.26 0.00 -0.21 0.00 0.00 178.00 180.52 1sjz n ALA 11 N -2.06 5.02 0.00 -0.75 0.00 -1.26 -4.83 120.51 116.62 1sjz n ALA 11 Ca -0.02 -4.14 0.00 0.00 0.00 0.00 0.00 53.44 49.28 1sjz n ALA 11 Cb 0.10 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.34 1sjz n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sjz n GLY 13 N 3.61 0.00 0.36 0.00 0.00 -1.26 -5.06 105.19 102.84 1sjz n GLY 13 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1sjz n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sjz h THR 14 N 0.00 1.14 -0.32 2.61 2.02 -1.93 0.12 112.91 116.55 1sjz h THR 14 Ca 0.00 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.67 1sjz h THR 14 Cb 0.98 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1sjz h THR 14 CO 0.00 0.22 -0.21 -1.28 0.37 0.00 0.00 175.52 174.62 1sjz h SER 15 N 1.19 0.74 -0.31 4.18 0.87 -1.84 -1.97 113.55 116.42 1sjz h SER 15 Ca 0.39 -0.43 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1sjz h SER 15 Cb 0.04 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1sjz h SER 15 CO -0.13 1.01 0.18 0.03 -0.53 0.00 0.00 176.83 177.39 1sjz h ARG 16 N 0.48 0.42 -0.95 2.24 3.08 -1.60 -1.74 114.38 116.31 1sjz h ARG 16 Ca 0.07 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.09 1sjz h ARG 16 Cb 0.76 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 1sjz h ARG 16 CO 0.06 0.34 0.63 -0.91 -1.07 0.00 0.00 179.97 179.02 1sjz h ASN 17 N 0.38 1.08 -0.12 7.04 2.35 -0.74 -1.90 115.58 123.67 1sjz h ASN 17 Ca 0.11 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1sjz h ASN 17 Cb 0.03 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1sjz h ASN 17 CO -0.02 0.77 0.05 0.74 -1.65 0.00 0.00 177.43 177.32 1sjz h THR 18 N 1.27 1.13 -0.64 2.81 2.02 -1.18 -1.15 112.91 117.16 1sjz h THR 18 Ca 0.36 -0.37 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1sjz h THR 18 Cb -0.11 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 1sjz h THR 18 CO -0.09 0.11 0.35 0.25 0.37 0.00 0.00 175.52 176.51 1sjz h LEU 19 N 0.05 0.50 -0.98 2.58 5.85 -1.01 -0.87 115.31 121.44 1sjz h LEU 19 Ca 0.04 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1sjz h LEU 19 Cb 0.13 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1sjz h LEU 19 CO -0.00 0.33 -0.46 -0.33 -0.34 0.00 0.00 178.44 177.63 1sjz h GLU 20 N 0.64 0.00 -0.33 1.25 4.39 -1.12 -1.80 114.58 117.61 1sjz h GLU 20 Ca 0.29 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.83 1sjz h GLU 20 Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1sjz h GLU 20 CO -0.19 0.46 -0.44 0.52 -1.16 0.00 0.00 179.01 178.21 1sjz h MET 21 N 0.00 0.86 0.12 2.33 2.86 -0.41 0.53 114.93 121.21 1sjz h MET 21 Ca -0.00 -0.48 0.02 0.00 -2.06 0.00 0.00 59.70 57.17 1sjz h MET 21 Cb 0.90 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1sjz h MET 21 CO 0.06 1.12 -0.22 0.82 1.06 0.00 0.00 176.91 179.75 1sjz h ILE 22 N 0.69 0.52 -0.86 -1.22 2.04 -0.85 -1.84 117.51 115.98 1sjz h ILE 22 Ca 0.04 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.04 1sjz h ILE 22 Cb 1.02 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.55 1sjz h ILE 22 CO 0.10 0.00 0.56 0.03 0.00 0.00 0.00 178.15 178.84 1sjz h ARG 23 N -0.41 0.63 0.00 2.37 3.08 -1.22 0.01 114.38 118.84 1sjz h ARG 23 Ca 0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1sjz h ARG 23 Cb 0.43 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1sjz h ARG 23 CO -0.12 0.42 0.00 -1.71 -1.07 0.00 0.00 179.97 177.49 1sjz n ASN 24 N -4.54 0.00 -0.31 7.04 4.05 0.17 -0.79 115.26 120.87 1sjz n ASN 24 Ca 0.17 0.35 0.13 0.00 0.45 0.00 0.00 54.58 55.68 1sjz n ASN 24 Cb 0.47 -0.44 0.39 0.00 1.23 0.00 0.00 39.78 41.43 1sjz n ASN 24 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1sjz n SER 25 N -1.44 1.19 0.00 1.20 3.41 -0.02 -0.67 113.62 117.29 1sjz n SER 25 Ca 0.06 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 1sjz n SER 25 Cb 0.21 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1sjz n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sjz n GLY 26 N 1.31 0.91 3.22 5.00 0.00 0.03 -4.74 105.19 110.92 1sjz n GLY 26 Ca 0.14 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1sjz n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sjz s THR 27 N -2.00 1.36 -0.38 2.61 -4.23 -1.22 -5.04 115.64 106.75 1sjz s THR 27 Ca 0.00 -1.45 -0.20 0.00 -1.18 0.00 0.00 61.69 58.86 1sjz s THR 27 Cb 0.00 -1.31 0.01 0.00 1.34 0.00 0.00 72.50 72.53 1sjz s THR 27 CO 0.00 -0.19 0.63 -0.70 -0.54 0.00 0.00 174.62 173.82 1sjz s GLU 28 N -1.93 3.58 0.70 3.99 2.56 -1.26 -3.45 118.70 122.88 1sjz s GLU 28 Ca 0.03 -0.07 -0.11 0.00 0.00 0.00 0.00 54.97 54.82 1sjz s GLU 28 Cb -0.09 -3.84 0.01 0.00 2.00 0.00 0.00 34.13 32.20 1sjz s GLU 28 CO 0.03 -0.80 1.09 -1.25 -0.56 0.00 0.00 175.26 173.77 1sjz s PRO 29 N 2.71 2.91 0.15 4.30 0.04 -1.26 -4.85 135.00 139.00 1sjz s PRO 29 Ca 0.24 0.47 -0.31 0.00 0.04 0.00 0.00 61.00 61.44 1sjz s PRO 29 Cb -0.14 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 1sjz s PRO 29 CO 0.16 -0.99 1.32 0.99 0.04 0.00 0.00 177.00 178.51 1sjz s THR 30 N -3.34 3.37 -0.23 1.26 2.01 0.24 -4.93 115.64 114.02 1sjz s THR 30 Ca 0.58 1.05 -0.04 0.00 0.31 0.00 0.00 61.69 63.59 1sjz s THR 30 Cb -0.11 -3.67 -0.00 0.00 0.01 0.00 0.00 72.50 68.72 1sjz s THR 30 CO 0.52 0.12 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.90 1sjz s ILE 31 N 0.57 3.37 -0.25 1.82 1.01 -1.26 -1.36 121.20 125.10 1sjz s ILE 31 Ca 0.59 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.64 1sjz s ILE 31 Cb -0.35 -2.56 -0.00 0.00 0.01 0.00 0.00 42.46 39.55 1sjz s ILE 31 CO 0.34 0.38 0.01 -0.63 0.00 0.00 0.00 174.94 175.04 1sjz s ILE 32 N 1.47 3.64 -1.13 2.92 1.01 -0.30 -5.00 121.20 123.82 1sjz s ILE 32 Ca 0.05 -0.56 -0.21 0.00 0.00 0.00 0.00 60.65 59.94 1sjz s ILE 32 Cb -0.15 -2.75 0.07 0.00 0.01 0.00 0.00 42.46 39.64 1sjz s ILE 32 CO -0.03 0.28 1.54 -0.76 0.00 0.00 0.00 174.94 175.98 1sjz s LEU 33 N 1.49 3.76 0.58 2.97 1.43 -1.26 -0.82 118.68 126.83 1sjz s LEU 33 Ca 0.04 -1.91 0.33 0.00 -1.03 0.00 0.00 54.13 51.56 1sjz s LEU 33 Cb -0.15 -2.56 1.82 0.00 0.03 0.00 0.00 46.19 45.33 1sjz s LEU 33 CO -0.01 -1.33 2.21 0.10 0.23 0.00 0.00 176.35 177.55 1sjz h TYR 34 N 8.81 0.00 -0.02 0.29 -0.00 -1.77 0.21 116.97 124.49 1sjz h TYR 34 Ca 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.97 1sjz h TYR 34 Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.67 1sjz h TYR 34 CO 1.33 0.04 -0.24 -0.07 -0.00 0.00 0.00 178.16 179.21 1sjz h LEU 35 N 0.00 0.02 0.00 0.10 3.38 -1.88 -2.58 115.31 114.35 1sjz h LEU 35 Ca -0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1sjz h LEU 35 Cb 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1sjz h LEU 35 CO 0.01 0.27 -1.58 -1.84 0.09 0.00 0.00 178.44 175.38 1sjz n GLU 36 N -4.24 0.82 -3.18 1.13 0.28 -0.41 -4.72 120.64 110.32 1sjz n GLU 36 Ca -0.02 -0.08 -0.25 0.00 -0.16 0.00 0.00 57.16 56.65 1sjz n GLU 36 Cb 0.30 -1.28 -0.06 0.00 1.43 0.00 0.00 31.44 31.84 1sjz n GLU 36 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1sjz n ASN 37 N -2.02 2.70 -4.74 -1.84 3.02 0.59 -5.09 115.26 107.89 1sjz n ASN 37 Ca -0.06 -3.29 -0.31 0.00 -0.03 0.00 0.00 54.58 50.90 1sjz n ASN 37 Cb 0.44 -0.62 0.12 0.00 -0.61 0.00 0.00 39.78 39.10 1sjz n ASN 37 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1sjz s PRO 38 N -2.53 1.83 0.86 3.52 0.04 -0.98 -4.40 135.00 133.35 1sjz s PRO 38 Ca 0.42 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 1sjz s PRO 38 Cb 0.23 -1.84 0.11 0.00 0.04 0.00 0.00 34.50 33.04 1sjz s PRO 38 CO -0.08 -1.96 1.10 -1.25 0.04 0.00 0.00 177.00 174.84 1sjz s PRO 39 N -4.84 1.50 0.96 0.56 0.04 -1.26 -5.02 135.00 126.94 1sjz s PRO 39 Ca 0.63 1.15 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 1sjz s PRO 39 Cb -0.19 -1.81 0.17 0.00 0.04 0.00 0.00 34.50 32.71 1sjz s PRO 39 CO 0.57 -2.17 1.11 -1.54 0.04 0.00 0.00 177.00 175.01 1sjz s SER 40 N -3.18 3.02 0.14 6.66 1.04 -1.26 -4.76 113.70 115.36 1sjz s SER 40 Ca 0.63 1.09 -0.18 0.00 0.48 0.00 0.00 55.95 57.98 1sjz s SER 40 Cb -0.19 -1.72 -0.02 0.00 0.10 0.00 0.00 66.02 64.19 1sjz s SER 40 CO 0.57 -2.87 1.80 -0.09 0.98 0.00 0.00 173.24 173.63 1sjz h ARG 41 N -1.72 0.41 -0.62 4.02 2.43 -1.98 0.93 114.38 117.86 1sjz h ARG 41 Ca -0.53 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 58.65 1sjz h ARG 41 Cb 1.33 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 1sjz h ARG 41 CO 0.60 0.27 0.37 -0.44 -1.51 0.00 0.00 179.97 179.26 1sjz h ASP 42 N 0.42 0.58 -0.67 -3.80 3.32 -1.99 0.14 116.42 114.42 1sjz h ASP 42 Ca 0.11 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1sjz h ASP 42 Cb -0.05 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1sjz h ASP 42 CO -0.02 0.40 0.11 -0.08 -1.72 0.00 0.00 179.24 177.92 1sjz h GLU 43 N 0.71 1.10 -0.31 3.56 4.57 -1.80 -1.35 114.58 121.06 1sjz h GLU 43 Ca 0.26 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1sjz h GLU 43 Cb 0.07 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1sjz h GLU 43 CO -0.13 1.01 -0.05 1.25 -1.18 0.00 0.00 179.01 179.91 1sjz h LEU 44 N 1.03 0.58 -1.48 1.64 5.85 -0.24 0.60 115.31 123.30 1sjz h LEU 44 Ca 0.21 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1sjz h LEU 44 Cb 0.43 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1sjz h LEU 44 CO 0.01 0.79 0.37 0.58 -0.34 0.00 0.00 178.44 179.85 1sjz h VAL 45 N 0.37 1.11 -0.18 1.05 2.07 -0.53 -1.77 116.25 118.37 1sjz h VAL 45 Ca 0.08 -0.24 -0.22 0.00 0.82 0.00 0.00 66.70 67.14 1sjz h VAL 45 Cb 0.52 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1sjz h VAL 45 CO 0.03 0.13 -0.74 0.50 0.02 0.00 0.00 177.57 177.50 1sjz h LYS 46 N 0.70 0.81 -0.68 1.57 3.64 -0.63 -2.16 116.57 119.83 1sjz h LYS 46 Ca 0.21 -0.63 0.05 0.00 -1.27 0.00 0.00 60.65 59.01 1sjz h LYS 46 Cb -0.01 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1sjz h LYS 46 CO -0.05 1.24 0.39 -0.07 -2.27 0.00 0.00 179.45 178.69 1sjz h LEU 47 N 0.57 0.59 0.04 5.20 3.38 -0.46 -0.20 115.31 124.42 1sjz h LEU 47 Ca -0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sjz h LEU 47 Cb 1.37 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1sjz h LEU 47 CO 0.15 0.39 -0.02 0.40 0.09 0.00 0.00 178.44 179.45 1sjz h ILE 48 N 0.73 1.03 -0.24 1.22 2.04 -1.25 0.66 117.51 121.69 1sjz h ILE 48 Ca 0.30 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 66.00 1sjz h ILE 48 Cb 0.16 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1sjz h ILE 48 CO -0.17 0.05 -0.13 0.00 0.00 0.00 0.00 178.15 177.90 1sjz h ALA 49 N 0.82 0.06 -0.35 1.87 0.00 -1.05 -2.48 119.26 118.13 1sjz h ALA 49 Ca -0.01 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1sjz h ALA 49 Cb 0.13 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1sjz h ALA 49 CO 0.01 -0.54 0.02 -0.44 0.00 0.00 0.00 179.25 178.30 1sjz h ASP 50 N -0.11 0.50 0.96 0.00 3.45 -0.80 -0.01 116.42 120.41 1sjz h ASP 50 Ca 0.13 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1sjz h ASP 50 Cb 0.31 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 1sjz h ASP 50 CO -0.31 0.55 0.00 0.24 -1.57 0.00 0.00 179.24 178.15 1sjz h MET 51 N 0.52 0.00 -2.43 3.56 2.86 -0.50 -3.40 114.93 115.53 1sjz h MET 51 Ca 0.11 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.37 1sjz h MET 51 Cb 0.30 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1sjz h MET 51 CO 0.01 0.00 -0.47 0.41 1.06 0.00 0.00 176.91 177.92 1sjz n GLY 52 N 0.23 -0.07 3.64 8.32 0.00 -0.02 -4.88 105.19 112.42 1sjz n GLY 52 Ca 0.02 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1sjz n GLY 52 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sjz s ILE 53 N -2.91 2.21 0.69 -0.61 -4.36 -1.24 -5.10 121.20 109.88 1sjz s ILE 53 Ca 0.00 -1.94 -0.12 0.00 -0.26 0.00 0.00 60.65 58.33 1sjz s ILE 53 Cb 0.00 -2.92 0.01 0.00 1.25 0.00 0.00 42.46 40.80 1sjz s ILE 53 CO 0.00 -0.06 1.07 -0.94 0.24 0.00 0.00 174.94 175.25 1sjz s SER 54 N -3.75 5.23 0.14 4.36 1.04 -1.26 -4.79 113.70 114.68 1sjz s SER 54 Ca 0.36 1.74 -0.17 0.00 0.48 0.00 0.00 55.95 58.35 1sjz s SER 54 Cb 0.06 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1sjz s SER 54 CO 0.19 -1.55 1.78 0.58 0.98 0.00 0.00 173.24 175.22 1sjz h VAL 55 N -0.53 1.01 -0.26 5.02 2.07 -1.95 -2.02 116.25 119.59 1sjz h VAL 55 Ca -0.45 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1sjz h VAL 55 Cb 1.22 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1sjz h VAL 55 CO 0.55 0.06 0.09 -0.09 0.02 0.00 0.00 177.57 178.20 1sjz h ARG 56 N 0.35 0.37 0.00 1.57 2.43 -1.94 -1.49 114.38 115.65 1sjz h ARG 56 Ca 0.13 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1sjz h ARG 56 Cb 0.02 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1sjz h ARG 56 CO -0.07 0.32 -0.05 0.00 -1.51 0.00 0.00 179.97 178.66 1sjz h ALA 57 N 1.73 1.23 0.00 2.80 0.00 -1.73 -0.39 119.26 122.90 1sjz h ALA 57 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sjz h ALA 57 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1sjz h ALA 57 CO -0.01 0.06 -0.13 -0.11 0.00 0.00 0.00 179.25 179.06 1sjz n LEU 58 N -3.47 0.57 -4.70 0.00 7.94 -0.56 -4.87 117.00 111.91 1sjz n LEU 58 Ca -0.02 0.47 -0.42 0.00 -1.11 0.00 0.00 56.01 54.92 1sjz n LEU 58 Cb 0.16 -0.34 -0.03 0.00 0.53 0.00 0.00 43.42 43.74 1sjz n LEU 58 CO 0.26 -0.10 1.06 -0.76 -1.11 0.00 0.00 177.39 176.74 1sjz s LEU 59 N -4.00 4.34 -0.10 -1.96 1.43 -0.16 -0.19 118.68 118.04 1sjz s LEU 59 Ca 0.11 2.14 -0.29 0.00 -1.03 0.00 0.00 54.13 55.06 1sjz s LEU 59 Cb 0.15 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 1sjz s LEU 59 CO 0.61 -0.65 0.98 -0.75 0.23 0.00 0.00 176.35 176.76 1sjz s LYS 60 N 1.82 4.42 0.56 1.70 2.47 0.45 -4.76 119.74 126.40 1sjz s LYS 60 Ca 0.63 1.34 -0.04 0.00 -1.56 0.00 0.00 55.97 56.34 1sjz s LYS 60 Cb -0.32 -3.54 0.12 0.00 -1.46 0.00 0.00 37.83 32.63 1sjz s LYS 60 CO 0.28 -0.29 0.77 1.63 0.16 0.00 0.00 175.35 177.90 1sjz n LYS 61 N 4.92 -0.20 -3.84 4.03 5.02 -1.26 -4.55 118.16 122.29 1sjz n LYS 61 Ca 0.08 -1.76 -0.29 0.00 -2.02 0.00 0.00 58.31 54.31 1sjz n LYS 61 Cb 0.49 -0.61 0.04 0.00 -0.02 0.00 0.00 35.03 34.92 1sjz n LYS 61 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1sjz n ASN 62 N -3.13 -5.16 -4.01 4.39 0.23 -1.26 -4.97 115.26 101.35 1sjz n ASN 62 Ca 0.12 -0.72 -0.11 0.00 -0.53 0.00 0.00 54.58 53.33 1sjz n ASN 62 Cb 0.41 -4.10 -0.11 0.00 -2.08 0.00 0.00 39.78 33.90 1sjz n ASN 62 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1sjz s VAL 63 N -3.29 0.31 0.19 3.53 -7.23 -1.26 -5.06 120.40 107.59 1sjz s VAL 63 Ca 0.65 -0.93 -0.16 0.00 -1.81 0.00 0.00 61.98 59.73 1sjz s VAL 63 Cb -0.32 -0.41 0.17 0.00 0.56 0.00 0.00 36.38 36.38 1sjz s VAL 63 CO 0.80 -0.41 1.63 -0.08 -0.31 0.00 0.00 175.10 176.73 1sjz h GLU 64 N 4.68 -0.05 -0.12 4.82 4.81 -1.96 -1.17 114.58 125.58 1sjz h GLU 64 Ca -0.33 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.80 1sjz h GLU 64 Cb 1.21 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1sjz h GLU 64 CO 0.41 -0.03 -0.38 -1.35 -0.73 0.00 0.00 179.01 176.93 1sjz h PRO 65 N -0.05 0.26 -0.46 0.92 0.11 -1.97 0.53 132.00 131.34 1sjz h PRO 65 Ca 0.25 -0.12 0.01 0.00 0.11 0.00 0.00 66.00 66.25 1sjz h PRO 65 Cb 0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1sjz h PRO 65 CO -0.58 0.61 0.30 -0.92 -0.21 0.00 0.00 178.00 177.20 1sjz h TYR 66 N 0.22 0.57 -0.01 0.65 5.03 -1.54 -0.24 116.97 121.65 1sjz h TYR 66 Ca 0.02 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 1sjz h TYR 66 Cb 0.77 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.86 1sjz h TYR 66 CO 0.01 0.36 -0.01 0.93 -1.32 0.00 0.00 178.16 178.14 1sjz h GLU 67 N 0.61 0.03 0.00 1.82 5.08 -1.05 -2.27 114.58 118.81 1sjz h GLU 67 Ca 0.17 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 1sjz h GLU 67 Cb -0.07 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1sjz h GLU 67 CO -0.04 0.42 -0.62 1.96 -1.00 0.00 0.00 179.01 179.74 1sjz h GLN 68 N -0.37 0.00 -0.01 2.33 4.20 -0.82 -2.56 115.11 117.88 1sjz h GLN 68 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sjz h GLN 68 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1sjz h GLN 68 CO 0.00 0.54 -0.03 1.28 -0.67 0.00 0.00 178.83 179.95 1sjz n LEU 69 N -3.22 0.69 -1.07 1.46 4.77 -0.11 -4.95 117.00 114.57 1sjz n LEU 69 Ca 0.01 -0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 55.71 1sjz n LEU 69 Cb 0.76 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.80 1sjz n LEU 69 CO 0.41 0.12 -0.12 0.61 -1.33 0.00 0.00 177.39 177.08 1sjz n GLY 70 N 1.14 0.04 0.05 -0.72 0.00 -0.97 -4.91 105.19 99.83 1sjz n GLY 70 Ca 0.20 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.82 1sjz n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sjz n LEU 71 N -1.36 0.29 0.23 0.99 4.77 -0.87 -1.88 117.00 119.17 1sjz n LEU 71 Ca -0.11 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.56 1sjz n LEU 71 Cb 0.57 -0.52 0.76 0.00 -2.33 0.00 0.00 43.42 41.90 1sjz n LEU 71 CO 0.13 -0.34 1.11 0.00 -1.33 0.00 0.00 177.39 176.97 1sjz h ALA 72 N 2.46 1.89 -2.62 -1.18 0.00 -1.91 -3.43 119.26 114.47 1sjz h ALA 72 Ca 0.00 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 1sjz h ALA 72 Cb 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sjz h ALA 72 CO 0.00 -0.13 0.39 -1.21 0.00 0.00 0.00 179.25 178.30 1sjz s GLU 73 N -4.86 4.58 -1.39 0.00 2.02 -0.79 -4.95 118.70 113.31 1sjz s GLU 73 Ca -0.05 1.51 -0.13 0.00 0.02 0.00 0.00 54.97 56.33 1sjz s GLU 73 Cb 0.16 -2.96 0.08 0.00 0.10 0.00 0.00 34.13 31.52 1sjz s GLU 73 CO 0.62 0.24 2.08 -3.47 0.02 0.00 0.00 175.26 174.75 1sjz n ASP 74 N 0.81 4.33 -0.17 -0.19 4.64 -1.26 -4.38 116.55 120.33 1sjz n ASP 74 Ca 0.01 -2.93 0.04 0.00 -1.38 0.00 0.00 54.79 50.52 1sjz n ASP 74 Cb 0.48 -1.61 0.05 0.00 -1.04 0.00 0.00 41.12 39.01 1sjz n ASP 74 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1sjz n LYS 75 N 5.50 1.06 -4.54 -0.67 5.02 -1.26 -5.05 118.16 118.21 1sjz n LYS 75 Ca 0.48 -1.60 -0.25 0.00 -2.02 0.00 0.00 58.31 54.92 1sjz n LYS 75 Cb 0.39 -0.96 -0.17 0.00 -0.02 0.00 0.00 35.03 34.27 1sjz n LYS 75 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1sjz s PHE 76 N -1.24 1.55 0.85 2.13 0.40 -1.26 -5.13 117.98 115.28 1sjz s PHE 76 Ca 0.12 -0.61 -0.11 0.00 -0.60 0.00 0.00 56.93 55.72 1sjz s PHE 76 Cb 0.10 -1.14 0.10 0.00 0.51 0.00 0.00 43.02 42.59 1sjz s PHE 76 CO 0.01 -0.32 1.09 0.95 0.70 0.00 0.00 175.22 177.65 1sjz s THR 77 N 0.77 2.89 0.24 0.64 -4.23 -1.26 -4.85 115.64 109.83 1sjz s THR 77 Ca -0.12 0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 60.61 1sjz s THR 77 Cb -0.16 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.10 1sjz s THR 77 CO 0.02 -0.38 1.87 0.44 -0.54 0.00 0.00 174.62 176.04 1sjz h ASP 78 N -1.39 0.89 0.30 3.99 3.45 -2.00 -1.38 116.42 120.28 1sjz h ASP 78 Ca -0.48 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 56.87 1sjz h ASP 78 Cb 1.27 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.84 1sjz h ASP 78 CO 0.54 0.60 -0.48 0.44 -1.57 0.00 0.00 179.24 178.77 1sjz h ASP 79 N 1.04 0.23 -0.25 6.45 5.19 -1.99 0.33 116.42 127.42 1sjz h ASP 79 Ca 0.36 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1sjz h ASP 79 Cb 0.07 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1sjz h ASP 79 CO -0.14 0.68 0.16 1.56 -3.12 0.00 0.00 179.24 178.38 1sjz h GLN 80 N 0.17 0.33 -0.49 3.56 4.20 -1.80 -1.13 115.11 119.95 1sjz h GLN 80 Ca 0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1sjz h GLN 80 Cb 0.91 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 1sjz h GLN 80 CO 0.07 0.23 0.21 -0.07 -0.67 0.00 0.00 178.83 178.60 1sjz h LEU 81 N 0.33 0.66 -0.82 1.46 3.38 -0.61 -0.87 115.31 118.84 1sjz h LEU 81 Ca 0.09 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1sjz h LEU 81 Cb -0.02 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 1sjz h LEU 81 CO -0.02 0.64 0.51 0.40 0.09 0.00 0.00 178.44 180.05 1sjz h ILE 82 N 0.64 1.05 -0.04 1.22 2.04 -0.14 -1.49 117.51 120.80 1sjz h ILE 82 Ca 0.16 -0.32 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 1sjz h ILE 82 Cb 0.17 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1sjz h ILE 82 CO -0.02 0.17 -0.54 0.44 0.00 0.00 0.00 178.15 178.21 1sjz h ASP 83 N 0.94 0.14 -0.65 1.72 3.45 -0.88 -2.06 116.42 119.08 1sjz h ASP 83 Ca 0.35 -0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.71 1sjz h ASP 83 Cb 0.13 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 38.83 1sjz h ASP 83 CO -0.16 0.65 0.28 -0.26 -1.57 0.00 0.00 179.24 178.18 1sjz h PHE 84 N 0.10 0.96 -0.98 4.55 0.04 -0.40 -1.62 116.94 119.58 1sjz h PHE 84 Ca -0.00 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.71 1sjz h PHE 84 Cb 0.99 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 38.80 1sjz h PHE 84 CO 0.01 0.74 0.64 0.52 -0.60 0.00 0.00 178.31 179.63 1sjz h MET 85 N 0.90 1.30 -0.48 1.51 2.86 -0.78 0.90 114.93 121.14 1sjz h MET 85 Ca 0.22 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.66 1sjz h MET 85 Cb 0.17 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1sjz h MET 85 CO -0.02 0.87 -0.16 -0.07 1.06 0.00 0.00 176.91 178.59 1sjz h LEU 86 N 1.34 0.93 0.00 1.22 3.38 -1.24 -2.46 115.31 118.48 1sjz h LEU 86 Ca 0.36 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sjz h LEU 86 Cb -0.14 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.35 1sjz h LEU 86 CO -0.08 1.08 -0.03 1.56 0.09 0.00 0.00 178.44 181.06 1sjz h GLN 87 N 0.82 0.00 -2.03 1.13 1.08 -0.77 -3.39 115.11 111.95 1sjz h GLN 87 Ca 0.12 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.78 1sjz h GLN 87 Cb 0.70 0.00 -0.36 0.00 -0.05 0.00 0.00 27.48 27.77 1sjz h GLN 87 CO 0.05 0.00 -0.99 0.72 -0.95 0.00 0.00 178.83 177.66 1sjz n HIS 88 N -2.92 -0.96 0.32 2.96 8.25 0.26 -5.01 115.22 118.12 1sjz n HIS 88 Ca 0.04 -3.24 0.21 0.00 -0.26 0.00 0.00 57.72 54.47 1sjz n HIS 88 Cb 0.51 0.12 1.14 0.00 1.12 0.00 0.00 29.99 32.88 1sjz n HIS 88 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1sjz h PRO 89 N 4.81 0.00 0.00 -0.41 0.11 -1.64 0.17 132.00 135.04 1sjz h PRO 89 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1sjz h PRO 89 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1sjz h PRO 89 CO 0.39 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.69 1sjz n ILE 90 N -2.97 1.08 0.42 4.15 3.06 -1.26 -1.25 119.36 122.59 1sjz n ILE 90 Ca -0.03 0.33 0.12 0.00 -2.50 0.00 0.00 62.75 60.68 1sjz n ILE 90 Cb 0.07 -1.21 0.48 0.00 0.54 0.00 0.00 39.64 39.52 1sjz n ILE 90 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1sjz n LEU 91 N -1.86 0.68 -4.63 9.51 4.77 0.60 -4.67 117.00 121.40 1sjz n LEU 91 Ca 0.02 0.66 -0.43 0.00 -0.03 0.00 0.00 56.01 56.23 1sjz n LEU 91 Cb 0.15 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1sjz n LEU 91 CO 0.14 -0.52 0.89 -0.63 -1.33 0.00 0.00 177.39 175.94 1sjz s ILE 92 N -3.29 4.53 0.97 -0.08 1.01 -0.38 -0.41 121.20 123.54 1sjz s ILE 92 Ca 0.05 1.56 -0.12 0.00 0.00 0.00 0.00 60.65 62.14 1sjz s ILE 92 Cb 0.10 -4.39 0.17 0.00 0.01 0.00 0.00 42.46 38.35 1sjz s ILE 92 CO 0.41 -0.50 1.08 0.21 0.00 0.00 0.00 174.94 176.15 1sjz s ASN 93 N 1.73 2.78 0.01 3.58 3.84 0.73 -4.76 114.94 122.86 1sjz s ASN 93 Ca 0.43 1.50 -0.17 0.00 0.21 0.00 0.00 52.86 54.83 1sjz s ASN 93 Cb -0.12 -2.17 0.03 0.00 -0.55 0.00 0.00 41.25 38.44 1sjz s ASN 93 CO 0.16 -3.07 0.37 0.00 -2.79 0.00 0.00 177.10 171.77 1sjz s ARG 94 N -4.83 0.81 0.12 0.43 3.03 -1.26 -4.51 118.95 112.74 1sjz s ARG 94 Ca 0.65 -0.27 -0.11 0.00 2.03 0.00 0.00 55.73 58.03 1sjz s ARG 94 Cb -0.20 0.36 -0.06 0.00 -1.03 0.00 0.00 34.95 34.02 1sjz s ARG 94 CO 0.59 -0.25 0.47 -1.25 -1.13 0.00 0.00 175.30 173.73 1sjz s PRO 95 N -1.90 3.85 -0.10 3.89 0.04 -1.26 -4.71 135.00 134.80 1sjz s PRO 95 Ca -0.09 0.30 -0.15 0.00 0.04 0.00 0.00 61.00 61.10 1sjz s PRO 95 Cb -0.03 -2.93 -0.05 0.00 0.04 0.00 0.00 34.50 31.53 1sjz s PRO 95 CO 0.01 0.50 0.36 0.42 0.04 0.00 0.00 177.00 178.33 1sjz s ILE 96 N -1.47 5.21 -0.05 0.56 1.01 -1.18 0.35 121.20 125.62 1sjz s ILE 96 Ca 0.37 0.71 0.04 0.00 0.00 0.00 0.00 60.65 61.76 1sjz s ILE 96 Cb -0.14 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1sjz s ILE 96 CO 0.19 0.45 -0.16 -0.69 0.00 0.00 0.00 174.94 174.73 1sjz s VAL 97 N -0.09 1.36 -0.17 2.92 1.01 -0.29 -0.78 120.40 124.37 1sjz s VAL 97 Ca 0.21 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1sjz s VAL 97 Cb -0.15 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1sjz s VAL 97 CO 0.08 0.40 -0.08 -0.69 0.00 0.00 0.00 175.10 174.81 1sjz s VAL 98 N 0.24 3.37 0.32 2.92 1.01 0.31 -0.79 120.40 127.79 1sjz s VAL 98 Ca -0.08 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1sjz s VAL 98 Cb -0.13 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1sjz s VAL 98 CO 0.03 0.48 0.09 0.42 0.00 0.00 0.00 175.10 176.12 1sjz s THR 99 N 0.72 0.83 0.62 3.92 -4.23 0.19 -1.44 115.64 116.24 1sjz s THR 99 Ca -0.04 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.77 1sjz s THR 99 Cb -0.15 -2.65 0.35 0.00 1.34 0.00 0.00 72.50 71.39 1sjz s THR 99 CO 0.02 0.00 1.96 -0.65 -0.54 0.00 0.00 174.62 175.41 1sjz h PRO 100 N 2.14 0.00 0.00 3.99 0.11 -1.86 -1.73 132.00 134.65 1sjz h PRO 100 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1sjz h PRO 100 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1sjz h PRO 100 CO 0.63 0.00 -0.51 -0.07 -0.21 0.00 0.00 178.00 177.85 1sjz h LEU 101 N 0.00 0.00 0.00 2.35 3.38 -1.96 -3.50 115.31 115.58 1sjz h LEU 101 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1sjz h LEU 101 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1sjz h LEU 101 CO -0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1sjz n GLY 102 N 1.19 -0.86 3.07 0.83 0.00 -0.65 -5.01 105.19 103.77 1sjz n GLY 102 Ca 0.02 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 1sjz n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sjz s THR 103 N -2.54 1.20 0.01 2.61 2.01 -1.26 -0.64 115.64 117.03 1sjz s THR 103 Ca 0.00 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 1sjz s THR 103 Cb 0.00 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 1sjz s THR 103 CO 0.00 0.36 -0.00 -0.13 -0.69 0.00 0.00 174.62 174.16 1sjz s ARG 104 N 0.32 0.28 -0.42 4.92 1.81 0.03 -4.11 118.95 121.78 1sjz s ARG 104 Ca -0.08 -0.47 -0.29 0.00 -1.72 0.00 0.00 55.73 53.17 1sjz s ARG 104 Cb -0.13 0.10 0.02 0.00 -0.45 0.00 0.00 34.95 34.49 1sjz s ARG 104 CO 0.03 -0.05 1.24 -1.17 -0.68 0.00 0.00 175.30 174.66 1sjz s LEU 105 N -1.18 3.67 -1.24 2.53 2.96 -1.26 -1.13 118.68 123.03 1sjz s LEU 105 Ca -0.13 0.71 -0.10 0.00 -0.22 0.00 0.00 54.13 54.39 1sjz s LEU 105 Cb -0.08 -3.55 0.19 0.00 0.50 0.00 0.00 46.19 43.25 1sjz s LEU 105 CO -0.01 -1.26 1.71 0.00 -1.32 0.00 0.00 176.35 175.47 1sjz s ARG 107 N 0.23 1.04 0.96 0.00 0.52 -1.26 -3.16 118.95 117.28 1sjz s ARG 107 Ca 0.39 -0.83 -0.13 0.00 -0.52 0.00 0.00 55.73 54.64 1sjz s ARG 107 Cb 0.06 -2.30 0.17 0.00 0.52 0.00 0.00 34.95 33.40 1sjz s ARG 107 CO 0.01 -0.72 1.13 -1.25 0.02 0.00 0.00 175.30 174.50 1sjz s PRO 108 N 1.60 0.74 0.39 3.54 0.04 -1.26 -4.95 135.00 135.10 1sjz s PRO 108 Ca 0.00 0.28 0.05 0.00 0.04 0.00 0.00 61.00 61.38 1sjz s PRO 108 Cb -0.18 -1.79 0.78 0.00 0.04 0.00 0.00 34.50 33.35 1sjz s PRO 108 CO -0.11 -2.47 2.04 0.66 0.04 0.00 0.00 177.00 177.16 1sjz h SER 109 N -1.69 0.56 0.29 6.66 4.64 -1.82 -1.89 113.55 120.30 1sjz h SER 109 Ca -0.51 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1sjz h SER 109 Cb 1.33 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1sjz h SER 109 CO 0.58 0.41 0.00 -1.84 -0.87 0.00 0.00 176.83 175.11 1sjz n GLU 110 N -4.46 0.15 -0.19 4.77 0.00 -1.26 -1.23 120.64 118.42 1sjz n GLU 110 Ca 0.04 0.18 0.15 0.00 0.00 0.00 0.00 57.16 57.54 1sjz n GLU 110 Cb 0.06 -1.50 0.48 0.00 0.00 0.00 0.00 31.44 30.48 1sjz n GLU 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1sjz h VAL 111 N 0.00 0.79 -0.18 3.84 2.07 -1.66 -1.80 116.25 119.30 1sjz h VAL 111 Ca 0.00 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1sjz h VAL 111 Cb 0.15 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1sjz h VAL 111 CO 0.00 0.08 0.21 1.62 0.02 0.00 0.00 177.57 179.51 1sjz h VAL 112 N 0.46 0.44 0.00 2.57 3.04 -1.39 -0.83 116.25 120.54 1sjz h VAL 112 Ca 0.40 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 66.08 1sjz h VAL 112 Cb 0.87 0.83 -0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1sjz h VAL 112 CO -0.14 0.00 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.34 1sjz h LEU 113 N 0.00 0.00 -1.05 3.16 3.38 -1.55 -2.03 115.31 117.21 1sjz h LEU 113 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1sjz h LEU 113 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1sjz h LEU 113 CO -0.00 0.01 0.05 0.44 0.09 0.00 0.00 178.44 179.03 1sjz h ASP 114 N 0.00 0.68 -0.01 -0.43 3.45 -1.33 -3.27 116.42 115.51 1sjz h ASP 114 Ca -0.00 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.32 1sjz h ASP 114 Cb 0.03 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.62 1sjz h ASP 114 CO 0.00 0.72 -0.21 2.30 -1.57 0.00 0.00 179.24 180.48 1sjz n ILE 115 N -4.26 0.00 -2.39 0.35 -5.35 -0.82 -4.92 119.36 101.98 1sjz n ILE 115 Ca 0.03 -0.40 -0.42 0.00 -0.27 0.00 0.00 62.75 61.69 1sjz n ILE 115 Cb 0.26 1.17 -0.03 0.00 -1.74 0.00 0.00 39.64 39.30 1sjz n ILE 115 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1sjz s LEU 116 N -1.64 4.29 0.15 7.28 1.43 -0.89 -4.37 118.68 124.93 1sjz s LEU 116 Ca 0.11 1.91 -0.09 0.00 -1.03 0.00 0.00 54.13 55.03 1sjz s LEU 116 Cb 0.10 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.76 1sjz s LEU 116 CO 0.28 -0.62 1.48 1.56 0.23 0.00 0.00 176.35 179.28 1sjz h GLN 117 N 7.54 0.86 -5.92 1.70 4.20 -1.91 -3.44 115.11 118.15 1sjz h GLN 117 Ca -0.35 -0.47 -0.62 0.00 0.06 0.00 0.00 58.65 57.26 1sjz h GLN 117 Cb 1.17 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.92 1sjz h GLN 117 CO 0.88 1.11 -0.35 -0.51 -0.67 0.00 0.00 178.83 179.29 1sjz s ASP 118 N -6.87 6.55 0.58 1.46 1.01 -1.26 -5.08 116.67 113.06 1sjz s ASP 118 Ca -0.10 0.64 -0.19 0.00 0.71 0.00 0.00 52.55 53.60 1sjz s ASP 118 Cb 0.11 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 1sjz s ASP 118 CO 0.87 0.27 1.22 0.00 0.21 0.00 0.00 175.17 177.74 1sjz s ALA 119 N -1.25 2.59 0.28 5.23 0.00 -1.26 -4.80 121.76 122.55 1sjz s ALA 119 Ca 0.26 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 1sjz s ALA 119 Cb -0.14 -3.46 -0.14 0.00 0.00 0.00 0.00 23.12 19.39 1sjz s ALA 119 CO 0.14 -1.16 1.12 1.04 0.00 0.00 0.00 175.76 176.91 1sjz n GLN 120 N -1.48 1.56 0.00 0.00 1.13 -1.26 -4.61 117.38 112.71 1sjz n GLN 120 Ca 0.13 0.55 0.14 0.00 -1.94 0.00 0.00 57.00 55.87 1sjz n GLN 120 Cb 0.49 -2.00 0.56 0.00 0.11 0.00 0.00 30.24 29.40 1sjz n GLN 120 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1sjz n LYS 121 N 0.92 0.20 -3.34 -1.09 5.02 0.15 -4.91 118.16 115.11 1sjz n LYS 121 Ca 0.09 -0.05 -0.02 0.00 -2.02 0.00 0.00 58.31 56.32 1sjz n LYS 121 Cb 0.32 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 1sjz n LYS 121 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sjz n GLY 122 N 1.42 0.70 3.73 0.72 0.00 -1.26 -5.12 105.19 105.39 1sjz n GLY 122 Ca 0.09 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 1sjz n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjz s ALA 123 N -1.80 2.47 -0.08 4.61 0.00 -1.24 -4.83 121.76 120.89 1sjz s ALA 123 Ca 0.18 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.43 1sjz s ALA 123 Cb -0.02 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1sjz s ALA 123 CO 0.04 -1.57 -0.15 0.12 0.00 0.00 0.00 175.76 174.19 1sjz s PHE 124 N -1.36 1.82 -0.11 0.00 2.19 -0.21 -4.96 117.98 115.36 1sjz s PHE 124 Ca 0.80 -0.75 0.02 0.00 0.33 0.00 0.00 56.93 57.34 1sjz s PHE 124 Cb -0.39 -1.30 0.01 0.00 -1.31 0.00 0.00 43.02 40.04 1sjz s PHE 124 CO 0.42 -0.36 -0.16 0.99 1.83 0.00 0.00 175.22 177.94 1sjz s THR 125 N 0.69 1.57 1.00 0.12 2.01 -1.26 0.48 115.64 120.25 1sjz s THR 125 Ca -0.13 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.07 1sjz s THR 125 Cb -0.16 -1.43 0.17 0.00 0.01 0.00 0.00 72.50 71.10 1sjz s THR 125 CO 0.03 0.46 1.00 0.29 -0.69 0.00 0.00 174.62 175.71 1sjz n LYS 126 N 4.17 -1.02 0.26 4.92 5.02 0.77 -4.83 118.16 127.45 1sjz n LYS 126 Ca -0.19 -0.24 0.12 0.00 -2.02 0.00 0.00 58.31 55.98 1sjz n LYS 126 Cb 0.51 -2.25 0.72 0.00 -0.02 0.00 0.00 35.03 34.00 1sjz n LYS 126 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1sjz h GLU 127 N -2.09 0.00 -0.20 1.97 4.11 -1.94 -0.47 114.58 115.96 1sjz h GLU 127 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1sjz h GLU 127 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1sjz h GLU 127 CO 0.42 0.12 0.00 -0.40 0.07 0.00 0.00 179.01 179.22 1sjz n ASP 128 N -3.69 1.34 0.00 3.06 5.75 -1.26 -4.91 116.55 116.83 1sjz n ASP 128 Ca -0.02 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1sjz n ASP 128 Cb 0.23 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1sjz n ASP 128 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sjz n GLY 129 N 0.98 0.38 3.65 6.12 0.00 -0.19 -5.05 105.19 111.09 1sjz n GLY 129 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1sjz n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sjz s GLU 130 N -0.92 4.05 0.21 1.61 2.12 -1.26 -4.76 118.70 119.76 1sjz s GLU 130 Ca 0.00 1.76 -0.30 0.00 0.36 0.00 0.00 54.97 56.79 1sjz s GLU 130 Cb 0.00 -3.92 -0.09 0.00 0.26 0.00 0.00 34.13 30.38 1sjz s GLU 130 CO 0.00 -0.97 1.24 0.15 -0.54 0.00 0.00 175.26 175.14 1sjz s LYS 131 N 4.08 4.45 -0.09 4.30 1.02 -1.26 -0.16 119.74 132.07 1sjz s LYS 131 Ca 0.65 1.97 -0.05 0.00 0.02 0.00 0.00 55.97 58.56 1sjz s LYS 131 Cb -0.25 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1sjz s LYS 131 CO 0.24 -0.13 -0.13 0.28 -0.92 0.00 0.00 175.35 174.69 1sjz n VAL 132 N 2.26 0.63 -4.10 3.17 0.31 0.18 -4.67 118.33 116.10 1sjz n VAL 132 Ca 0.04 -0.09 -0.15 0.00 -0.01 0.00 0.00 64.34 64.13 1sjz n VAL 132 Cb 0.44 -1.66 -0.12 0.00 -0.91 0.00 0.00 33.84 31.59 1sjz n VAL 132 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1sjz s VAL 133 N -2.20 0.65 0.46 2.52 -7.23 -0.95 0.32 120.40 113.98 1sjz s VAL 133 Ca -0.13 -1.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1sjz s VAL 133 Cb 0.05 -0.68 0.09 0.00 0.56 0.00 0.00 36.38 36.40 1sjz s VAL 133 CO 0.17 -0.29 0.63 -0.90 -0.31 0.00 0.00 175.10 174.41 1sjz n ASP 134 N 1.59 0.77 -0.18 4.85 3.85 -0.77 -1.04 116.55 125.62 1sjz n ASP 134 Ca -0.21 -1.67 0.00 0.00 -0.71 0.00 0.00 54.79 52.20 1sjz n ASP 134 Cb 0.55 -0.42 0.25 0.00 -1.35 0.00 0.00 41.12 40.15 1sjz n ASP 134 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1sjz h GLU 135 N 0.00 0.92 -0.29 0.11 4.22 -1.91 -1.27 114.58 116.36 1sjz h GLU 135 Ca -0.21 -0.08 -0.03 0.00 0.08 0.00 0.00 59.36 59.13 1sjz h GLU 135 Cb 0.75 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1sjz h GLU 135 CO 0.22 0.65 0.07 0.00 -2.18 0.00 0.00 179.01 177.76 1sjz h ALA 136 N 1.51 1.58 0.00 2.92 0.00 -1.95 -3.41 119.26 119.92 1sjz h ALA 136 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sjz h ALA 136 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1sjz h ALA 136 CO -0.05 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1sjz n GLY 137 N -1.16 0.85 3.73 0.00 0.00 -0.48 -5.09 105.19 103.04 1sjz n GLY 137 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1sjz n GLY 137 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sjz s LYS 138 N -0.35 4.63 0.24 1.61 2.20 -1.26 -4.76 119.74 122.06 1sjz s LYS 138 Ca 0.00 1.54 -0.31 0.00 -0.36 0.00 0.00 55.97 56.85 1sjz s LYS 138 Cb 0.00 -3.36 -0.11 0.00 -1.51 0.00 0.00 37.83 32.85 1sjz s LYS 138 CO 0.00 0.11 1.57 1.03 -0.36 0.00 0.00 175.35 177.70 1sjz s ARG 139 N 0.12 4.18 0.00 4.03 1.81 -1.26 -1.84 118.95 125.98 1sjz s ARG 139 Ca 0.49 2.47 0.20 0.00 -1.72 0.00 0.00 55.73 57.17 1sjz s ARG 139 Cb -0.25 -3.08 0.16 0.00 -0.45 0.00 0.00 34.95 31.33 1sjz s ARG 139 CO 0.31 -0.59 1.13 1.28 -0.68 0.00 0.00 175.30 176.75