#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjd s SER 29 N 0.00 5.30 0.00 1.61 0.15 -1.26 -4.96 113.70 114.53 1fjd s SER 29 Ca 0.00 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1fjd s SER 29 Cb 0.00 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1fjd s SER 29 CO 0.00 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1fjd n GLY 30 N 4.94 0.40 3.75 9.45 0.00 -1.26 -4.97 105.19 117.49 1fjd n GLY 30 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1fjd n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fjd s PRO 31 N 0.00 2.98 -0.20 1.61 0.04 -1.26 -5.01 135.00 133.16 1fjd s PRO 31 Ca 0.00 2.14 -0.36 0.00 0.04 0.00 0.00 61.00 62.82 1fjd s PRO 31 Cb 0.00 -2.12 0.14 0.00 0.04 0.00 0.00 34.50 32.56 1fjd s PRO 31 CO 0.00 -1.28 1.30 0.21 0.04 0.00 0.00 177.00 177.26 1fjd s LYS 32 N -3.06 0.20 0.15 4.56 2.20 -1.26 -5.15 119.74 117.37 1fjd s LYS 32 Ca 0.75 -0.08 -0.18 0.00 -0.36 0.00 0.00 55.97 56.10 1fjd s LYS 32 Cb -0.38 0.08 -0.07 0.00 -1.51 0.00 0.00 37.83 35.95 1fjd s LYS 32 CO 0.44 -0.09 0.62 0.20 -0.36 0.00 0.00 175.35 176.16 1fjd s GLY 33 N -2.28 2.58 0.00 5.54 0.00 -1.26 -4.88 107.32 107.02 1fjd s GLY 33 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1fjd s GLY 33 CO -0.04 0.37 0.00 0.61 0.00 0.00 0.00 173.10 174.04 1fjd n GLY 34 N 1.04 -0.49 0.54 0.20 0.00 -1.26 -4.77 105.19 100.46 1fjd n GLY 34 Ca -0.06 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1fjd n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjd n GLY 35 N 0.00 0.00 2.35 -0.02 0.00 -0.05 -5.00 105.19 102.48 1fjd n GLY 35 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1fjd n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fjd n ASN 36 N -2.16 -4.29 -4.84 1.61 3.02 -1.23 -4.88 115.26 102.49 1fjd n ASN 36 Ca 0.00 0.30 -0.31 0.00 -0.03 0.00 0.00 54.58 54.54 1fjd n ASN 36 Cb 0.20 -3.58 -0.05 0.00 -0.61 0.00 0.00 39.78 35.73 1fjd n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fjd s ALA 37 N -1.97 3.75 -0.01 5.41 0.00 -1.25 -3.71 121.76 123.97 1fjd s ALA 37 Ca 0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 50.86 1fjd s ALA 37 Cb 0.00 -1.60 0.03 0.00 0.00 0.00 0.00 23.12 21.55 1fjd s ALA 37 CO 0.00 0.78 0.33 0.14 0.00 0.00 0.00 175.76 177.01 1fjd s VAL 38 N -1.44 0.06 -0.94 0.00 -7.23 -0.86 -1.02 120.40 108.96 1fjd s VAL 38 Ca 0.32 -0.47 -0.19 0.00 -1.81 0.00 0.00 61.98 59.83 1fjd s VAL 38 Cb -0.12 -0.67 0.13 0.00 0.56 0.00 0.00 36.38 36.28 1fjd s VAL 38 CO 0.25 -0.26 1.16 -0.75 -0.31 0.00 0.00 175.10 175.18 1fjd s LYS 39 N -1.44 3.61 0.02 4.82 2.47 -0.25 -2.47 119.74 126.50 1fjd s LYS 39 Ca -0.13 -1.74 -0.07 0.00 -1.56 0.00 0.00 55.97 52.47 1fjd s LYS 39 Cb -0.05 -4.95 -0.05 0.00 -1.46 0.00 0.00 37.83 31.32 1fjd s LYS 39 CO 0.04 -1.80 0.29 0.54 0.16 0.00 0.00 175.35 174.58 1fjd s VAL 40 N 2.82 5.26 -0.23 4.02 0.11 -1.25 0.31 120.40 131.45 1fjd s VAL 40 Ca 0.34 0.21 0.01 0.00 -2.93 0.00 0.00 61.98 59.61 1fjd s VAL 40 Cb -0.04 -3.58 0.06 0.00 -1.53 0.00 0.00 36.38 31.28 1fjd s VAL 40 CO -0.09 0.35 -0.07 -0.13 -3.33 0.00 0.00 175.10 171.83 1fjd s ARG 41 N -1.79 1.72 -0.16 1.54 0.52 0.44 -3.57 118.95 117.65 1fjd s ARG 41 Ca 0.29 -0.98 -0.20 0.00 -0.52 0.00 0.00 55.73 54.32 1fjd s ARG 41 Cb -0.13 -2.57 -0.03 0.00 0.52 0.00 0.00 34.95 32.74 1fjd s ARG 41 CO 0.17 -0.56 0.58 -1.01 0.02 0.00 0.00 175.30 174.49 1fjd s HIS 42 N 1.38 3.44 -0.26 -0.53 3.76 0.19 -2.80 115.29 120.47 1fjd s HIS 42 Ca -0.05 0.93 0.01 0.00 -0.15 0.00 0.00 55.06 55.80 1fjd s HIS 42 Cb -0.18 -2.71 0.07 0.00 1.11 0.00 0.00 32.58 30.87 1fjd s HIS 42 CO -0.06 -0.03 -0.04 0.42 -0.85 0.00 0.00 174.74 174.17 1fjd s ILE 43 N 1.37 1.70 -0.30 0.60 1.01 -1.07 -4.02 121.20 120.48 1fjd s ILE 43 Ca 0.28 -1.46 -0.21 0.00 0.00 0.00 0.00 60.65 59.26 1fjd s ILE 43 Cb -0.16 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1fjd s ILE 43 CO 0.11 -0.20 0.66 -0.76 0.00 0.00 0.00 174.94 174.76 1fjd s LEU 44 N 1.29 4.13 0.64 2.97 1.43 -0.73 -0.64 118.68 127.77 1fjd s LEU 44 Ca -0.03 0.48 0.23 0.00 -1.03 0.00 0.00 54.13 53.79 1fjd s LEU 44 Cb -0.19 -2.87 1.21 0.00 0.03 0.00 0.00 46.19 44.37 1fjd s LEU 44 CO -0.08 -0.51 1.68 0.00 0.23 0.00 0.00 176.35 177.68 1fjd n GLU 46 N -3.03 0.00 -0.08 0.00 4.07 -1.26 -3.48 120.64 116.85 1fjd n GLU 46 Ca 0.03 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.20 1fjd n GLU 46 Cb 0.67 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 32.15 1fjd n GLU 46 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1fjd n LYS 47 N 0.00 1.61 -1.23 5.31 5.02 -1.26 -4.94 118.16 122.66 1fjd n LYS 47 Ca 0.00 -1.62 -0.10 0.00 -2.02 0.00 0.00 58.31 54.56 1fjd n LYS 47 Cb 0.00 -1.28 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 1fjd n LYS 47 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1fjd n HIS 48 N 0.73 -0.10 0.46 2.13 8.25 -1.23 -4.70 115.22 120.78 1fjd n HIS 48 Ca 0.10 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.61 1fjd n HIS 48 Cb 0.38 -2.54 -0.02 0.00 1.12 0.00 0.00 29.99 28.93 1fjd n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fjd n GLY 49 N 0.15 -0.06 0.00 -1.41 0.00 -1.26 -4.46 105.19 98.14 1fjd n GLY 49 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1fjd n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1fjd n LYS 50 N -0.63 3.84 -0.38 1.61 0.00 -1.26 -4.63 118.16 116.71 1fjd n LYS 50 Ca 0.03 -0.13 0.38 0.00 -0.00 0.00 0.00 58.31 58.60 1fjd n LYS 50 Cb 0.19 -0.57 0.74 0.00 -0.00 0.00 0.00 35.03 35.39 1fjd n LYS 50 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 1fjd h ILE 51 N 0.05 0.25 0.00 0.58 6.09 -1.82 2.88 117.51 125.53 1fjd h ILE 51 Ca 0.00 0.00 -0.29 0.00 -1.37 0.00 0.00 64.86 63.20 1fjd h ILE 51 Cb 0.02 0.28 -0.05 0.00 0.47 0.00 0.00 36.82 37.54 1fjd h ILE 51 CO 0.00 0.00 -1.71 0.23 -3.07 0.00 0.00 178.15 173.60 1fjd n MET 52 N -3.98 0.63 0.16 2.19 0.00 -1.26 -1.96 117.12 112.91 1fjd n MET 52 Ca 0.29 0.29 0.01 0.00 0.00 0.00 0.00 57.70 58.29 1fjd n MET 52 Cb 1.43 -1.79 0.28 0.00 0.00 0.00 0.00 33.22 33.14 1fjd n MET 52 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1fjd h GLU 53 N 0.00 0.00 -0.03 0.03 4.81 0.25 0.33 114.58 119.97 1fjd h GLU 53 Ca -0.29 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.78 1fjd h GLU 53 Cb 2.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 1fjd h GLU 53 CO 0.08 0.48 -0.71 0.00 -0.73 0.00 0.00 179.01 178.13 1fjd h ALA 54 N 1.52 0.75 -0.21 2.92 0.00 0.42 -0.49 119.26 124.16 1fjd h ALA 54 Ca -0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 1fjd h ALA 54 Cb 0.86 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1fjd h ALA 54 CO 0.06 0.81 -0.24 0.52 0.00 0.00 0.00 179.25 180.41 1fjd h MET 55 N 0.12 0.53 0.14 0.00 2.86 -0.45 -3.02 114.93 115.10 1fjd h MET 55 Ca -0.02 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1fjd h MET 55 Cb 1.26 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1fjd h MET 55 CO 0.11 0.88 -0.07 0.93 1.06 0.00 0.00 176.91 179.82 1fjd h GLU 56 N 0.21 -0.18 -0.90 1.72 5.08 -0.35 -2.76 114.58 117.41 1fjd h GLU 56 Ca 0.03 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1fjd h GLU 56 Cb 0.80 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.96 1fjd h GLU 56 CO 0.06 -0.12 -0.44 1.17 -1.00 0.00 0.00 179.01 178.68 1fjd n LYS 57 N -3.42 -0.30 0.17 2.33 4.81 -0.20 0.16 118.16 121.72 1fjd n LYS 57 Ca -0.02 1.37 0.08 0.00 -0.87 0.00 0.00 58.31 58.87 1fjd n LYS 57 Cb 0.07 -2.02 0.59 0.00 0.02 0.00 0.00 35.03 33.69 1fjd n LYS 57 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1fjd h LEU 58 N 0.00 0.12 0.00 3.14 4.07 -1.66 0.28 115.31 121.25 1fjd h LEU 58 Ca 0.23 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1fjd h LEU 58 Cb 0.45 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1fjd h LEU 58 CO -0.87 0.08 0.00 1.17 -1.08 0.00 0.00 178.44 177.75 1fjd n LYS 59 N -4.51 0.00 -0.42 1.13 4.81 0.43 -4.27 118.16 115.33 1fjd n LYS 59 Ca -0.00 0.22 0.33 0.00 -0.87 0.00 0.00 58.31 57.99 1fjd n LYS 59 Cb 0.12 -0.69 0.54 0.00 0.02 0.00 0.00 35.03 35.02 1fjd n LYS 59 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1fjd n SER 60 N -2.14 0.09 0.00 3.14 7.64 0.14 -4.62 113.62 117.87 1fjd n SER 60 Ca 0.00 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1fjd n SER 60 Cb 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1fjd n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fjd n GLY 61 N -1.50 1.14 0.00 0.23 0.00 -1.07 -5.07 105.19 98.92 1fjd n GLY 61 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1fjd n GLY 61 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1fjd n MET 62 N -0.05 3.30 -2.61 1.61 0.00 0.95 -5.00 117.12 115.32 1fjd n MET 62 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 1fjd n MET 62 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 1fjd n MET 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1fjd s ARG 63 N 3.82 4.43 -0.05 2.12 0.52 -1.26 -4.86 118.95 123.67 1fjd s ARG 63 Ca 0.00 1.50 -0.04 0.00 -0.52 0.00 0.00 55.73 56.67 1fjd s ARG 63 Cb 0.00 -3.52 -0.27 0.00 0.52 0.00 0.00 34.95 31.68 1fjd s ARG 63 CO 0.00 -0.30 0.64 0.74 0.02 0.00 0.00 175.30 176.40 1fjd h PHE 64 N 7.12 0.47 0.09 -0.53 0.04 -1.88 -3.31 116.94 118.94 1fjd h PHE 64 Ca -0.34 -0.34 -0.34 0.00 2.80 0.00 0.00 57.97 59.75 1fjd h PHE 64 Cb 1.17 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.27 1fjd h PHE 64 CO 0.71 1.53 -1.89 -2.95 -0.60 0.00 0.00 178.31 175.11 1fjd h ASN 65 N 0.07 0.29 0.52 2.17 7.08 -1.83 0.27 115.58 124.15 1fjd h ASN 65 Ca -0.33 -0.65 -0.02 0.00 -3.08 0.00 0.00 56.30 52.22 1fjd h ASN 65 Cb 2.04 -0.10 -0.00 0.00 -2.08 0.00 0.00 38.32 38.18 1fjd h ASN 65 CO 0.13 1.58 -0.30 -0.33 -2.08 0.00 0.00 177.43 176.44 1fjd h GLU 66 N 0.05 -0.73 -0.67 4.14 4.39 -1.91 0.59 114.58 120.44 1fjd h GLU 66 Ca -0.37 0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.52 1fjd h GLU 66 Cb 2.03 0.17 -0.10 0.00 -0.10 0.00 0.00 28.75 30.74 1fjd h GLU 66 CO 0.09 -0.49 0.12 -0.39 -1.16 0.00 0.00 179.01 177.18 1fjd h VAL 67 N -0.76 0.54 -0.76 3.13 -1.51 -1.74 0.64 116.25 115.79 1fjd h VAL 67 Ca -0.06 -0.08 0.17 0.00 -1.23 0.00 0.00 66.70 65.50 1fjd h VAL 67 Cb 0.61 0.29 -0.12 0.00 -2.13 0.00 0.00 31.29 29.94 1fjd h VAL 67 CO 0.08 0.04 0.11 0.00 -1.23 0.00 0.00 177.57 176.57 1fjd h ALA 68 N 1.57 0.91 -0.07 5.19 0.00 -0.81 1.46 119.26 127.52 1fjd h ALA 68 Ca 0.37 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.49 1fjd h ALA 68 Cb 0.60 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1fjd h ALA 68 CO -0.49 -0.40 -0.06 0.00 0.00 0.00 0.00 179.25 178.30 1fjd h ALA 69 N 1.67 -0.26 0.00 0.00 0.00 0.57 -2.37 119.26 118.87 1fjd h ALA 69 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1fjd h ALA 69 Cb 0.77 0.85 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1fjd h ALA 69 CO -0.59 -0.29 -0.27 0.94 0.00 0.00 0.00 179.25 179.03 1fjd n GLN 70 N -3.09 0.23 -0.50 0.00 0.00 -0.55 -3.97 117.38 109.50 1fjd n GLN 70 Ca -0.00 0.36 0.39 0.00 -0.00 0.00 0.00 57.00 57.75 1fjd n GLN 70 Cb 0.04 -1.19 0.60 0.00 0.00 0.00 0.00 30.24 29.69 1fjd n GLN 70 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1fjd n TYR 71 N -3.43 0.00 -2.46 3.69 4.02 0.49 -4.16 117.16 115.31 1fjd n TYR 71 Ca -0.04 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.68 1fjd n TYR 71 Cb 0.14 -0.36 0.09 0.00 -0.02 0.00 0.00 39.34 39.19 1fjd n TYR 71 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1fjd n SER 72 N -3.42 0.94 -3.19 7.72 3.41 -0.89 -1.78 113.62 116.42 1fjd n SER 72 Ca 0.33 -1.82 -0.22 0.00 -0.26 0.00 0.00 58.87 56.90 1fjd n SER 72 Cb 1.56 -0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 64.99 1fjd n SER 72 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1fjd n GLU 73 N -2.43 2.02 0.00 4.33 0.28 -1.26 -3.73 120.64 119.85 1fjd n GLU 73 Ca 0.12 -1.45 0.00 0.00 -0.16 0.00 0.00 57.16 55.67 1fjd n GLU 73 Cb 0.44 -2.46 0.00 0.00 1.43 0.00 0.00 31.44 30.85 1fjd n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1fjd n ASP 74 N 4.36 0.00 -3.23 -1.84 2.03 -1.25 -4.89 116.55 111.73 1fjd n ASP 74 Ca 0.44 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.75 1fjd n ASP 74 Cb 0.14 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1fjd n ASP 74 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1fjd n LYS 75 N 0.00 0.18 0.00 -0.67 4.76 -1.26 -4.60 118.16 116.57 1fjd n LYS 75 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1fjd n LYS 75 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1fjd n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fjd n ALA 76 N -2.59 0.00 -1.94 7.82 0.00 -1.25 -3.28 120.51 119.26 1fjd n ALA 76 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1fjd n ALA 76 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1fjd n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fjd n ARG 77 N 0.00 -2.90 0.00 0.00 5.12 -1.26 -3.75 116.66 113.87 1fjd n ARG 77 Ca 0.00 2.34 0.00 0.00 -1.93 0.00 0.00 57.85 58.26 1fjd n ARG 77 Cb 0.00 -3.16 0.00 0.00 -1.16 0.00 0.00 32.46 28.14 1fjd n ARG 77 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1fjd n GLN 78 N 1.04 0.00 0.00 5.56 0.00 -1.26 -3.19 117.38 119.54 1fjd n GLN 78 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.89 1fjd n GLN 78 Cb 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 30.24 29.41 1fjd n GLN 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fjd n GLY 79 N 0.00 1.13 0.35 1.69 0.00 0.92 -2.92 105.19 106.35 1fjd n GLY 79 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 1fjd n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjd n GLY 80 N 0.00 0.61 3.57 -0.02 0.00 -1.19 -3.94 105.19 104.22 1fjd n GLY 80 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1fjd n GLY 80 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fjd s ASP 81 N -0.04 3.57 0.00 1.61 1.47 -1.20 0.53 116.67 122.61 1fjd s ASP 81 Ca 0.00 -0.51 0.23 0.00 1.18 0.00 0.00 52.55 53.45 1fjd s ASP 81 Cb 0.00 -2.58 1.30 0.00 -0.34 0.00 0.00 42.92 41.31 1fjd s ASP 81 CO 0.00 -4.44 1.74 -0.11 0.68 0.00 0.00 175.17 173.03 1fjd n LEU 82 N 19.45 0.00 0.00 2.11 7.94 -1.23 -4.94 117.00 140.32 1fjd n LEU 82 Ca 0.44 0.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 1fjd n LEU 82 Cb 0.45 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.33 1fjd n LEU 82 CO 0.57 -0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.44 1fjd n GLY 83 N 0.48 3.13 3.02 -3.96 0.00 -1.26 -5.05 105.19 101.54 1fjd n GLY 83 Ca 0.15 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 1fjd n GLY 83 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fjd n TRP 84 N -0.53 -4.54 -3.73 1.61 7.02 -1.26 -4.53 117.44 111.47 1fjd n TRP 84 Ca 0.00 0.07 -0.12 0.00 -1.02 0.00 0.00 57.50 56.43 1fjd n TRP 84 Cb 0.00 -1.44 -0.12 0.00 -2.42 0.00 0.00 31.31 27.33 1fjd n TRP 84 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1fjd s MET 85 N -2.08 0.31 0.01 -0.99 -1.94 -1.03 -4.92 119.30 108.65 1fjd s MET 85 Ca 0.40 0.55 -0.11 0.00 -1.71 0.00 0.00 55.69 54.83 1fjd s MET 85 Cb -0.14 0.01 0.01 0.00 2.01 0.00 0.00 34.83 36.72 1fjd s MET 85 CO 0.80 -0.12 0.23 -0.08 -0.01 0.00 0.00 175.02 175.84 1fjd s THR 86 N 0.89 0.08 0.96 2.05 -1.32 -1.24 -2.04 115.64 115.02 1fjd s THR 86 Ca -0.06 -0.64 -0.16 0.00 -1.21 0.00 0.00 61.69 59.62 1fjd s THR 86 Cb -0.07 -0.62 -0.11 0.00 -1.51 0.00 0.00 72.50 70.19 1fjd s THR 86 CO -0.06 -0.35 -0.53 -1.14 -2.21 0.00 0.00 174.62 170.33 1fjd n ARG 87 N 1.18 -0.05 0.00 7.08 0.00 -1.25 -2.83 116.66 120.80 1fjd n ARG 87 Ca -0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.63 1fjd n ARG 87 Cb 0.57 -1.18 0.00 0.00 0.00 0.00 0.00 32.46 31.85 1fjd n ARG 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fjd n GLY 88 N 3.04 3.03 0.00 5.14 0.00 -1.26 -4.67 105.19 110.47 1fjd n GLY 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fjd n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fjd n SER 89 N 0.13 3.77 -3.20 1.61 7.64 -1.13 -4.66 113.62 117.79 1fjd n SER 89 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1fjd n SER 89 Cb 0.00 0.12 0.09 0.00 -1.01 0.00 0.00 64.21 63.41 1fjd n SER 89 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1fjd n MET 90 N -2.23 -1.28 0.00 1.43 2.00 -1.24 -5.04 117.12 110.77 1fjd n MET 90 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 57.70 57.28 1fjd n MET 90 Cb 0.44 -0.73 0.00 0.00 0.00 0.00 0.00 33.22 32.93 1fjd n MET 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1fjd n VAL 91 N -3.62 0.00 0.00 2.03 0.31 -1.26 -4.96 118.33 110.83 1fjd n VAL 91 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1fjd n VAL 91 Cb 0.17 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 1fjd n VAL 91 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fjd n GLY 92 N 5.00 0.76 0.28 2.92 0.00 -1.26 -4.29 105.19 108.59 1fjd n GLY 92 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1fjd n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fjd h PRO 93 N 0.00 0.49 -0.41 1.61 0.14 -1.95 -2.94 132.00 128.94 1fjd h PRO 93 Ca 0.00 -0.09 0.04 0.00 0.14 0.00 0.00 66.00 66.09 1fjd h PRO 93 Cb 0.00 -0.08 -0.06 0.00 0.14 0.00 0.00 31.00 31.00 1fjd h PRO 93 CO 0.00 0.48 -0.32 0.35 0.14 0.00 0.00 178.00 178.66 1fjd h PHE 94 N 0.48 -1.00 -0.20 1.56 3.57 -1.93 0.32 116.94 119.73 1fjd h PHE 94 Ca 0.11 0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 1fjd h PHE 94 Cb 0.25 0.49 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1fjd h PHE 94 CO 0.01 -0.23 -0.30 0.37 -2.23 0.00 0.00 178.31 175.93 1fjd h GLN 95 N -0.10 0.38 -0.76 1.11 4.15 -1.74 -2.84 115.11 115.32 1fjd h GLN 95 Ca 0.07 -0.15 0.12 0.00 0.77 0.00 0.00 58.65 59.46 1fjd h GLN 95 Cb 0.27 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 1fjd h GLN 95 CO -0.43 0.65 0.50 0.93 -1.93 0.00 0.00 178.83 178.54 1fjd h GLU 96 N 0.34 0.53 0.00 1.69 5.08 -0.83 -1.88 114.58 119.50 1fjd h GLU 96 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1fjd h GLU 96 Cb 0.69 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1fjd h GLU 96 CO 0.05 0.35 0.00 0.00 -1.00 0.00 0.00 179.01 178.41 1fjd n ALA 97 N -2.49 0.00 -0.34 3.43 0.00 -0.17 -3.30 120.51 117.65 1fjd n ALA 97 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 1fjd n ALA 97 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 1fjd n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjd n ALA 98 N -1.53 -0.51 0.22 0.00 0.00 -1.13 0.26 120.51 117.83 1fjd n ALA 98 Ca 0.00 0.68 -0.16 0.00 0.00 0.00 0.00 53.44 53.96 1fjd n ALA 98 Cb 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.30 1fjd n ALA 98 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1fjd h PHE 99 N 0.00 -1.10 0.20 0.00 3.57 -1.54 -3.10 116.94 114.97 1fjd h PHE 99 Ca 0.13 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1fjd h PHE 99 Cb 0.33 0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1fjd h PHE 99 CO -0.91 -0.54 -0.10 0.00 -2.23 0.00 0.00 178.31 174.53 1fjd h ALA 100 N -0.39 -0.27 -2.25 2.41 0.00 -1.02 -3.44 119.26 114.31 1fjd h ALA 100 Ca -0.02 -0.13 -0.50 0.00 0.00 0.00 0.00 54.91 54.26 1fjd h ALA 100 Cb 0.72 0.10 0.19 0.00 0.00 0.00 0.00 17.79 18.81 1fjd h ALA 100 CO -0.10 -0.56 0.19 -0.51 0.00 0.00 0.00 179.25 178.27 1fjd s LEU 101 N -9.82 2.44 1.12 0.00 2.01 0.74 -4.97 118.68 110.20 1fjd s LEU 101 Ca -0.15 2.02 -0.12 0.00 0.01 0.00 0.00 54.13 55.89 1fjd s LEU 101 Cb 0.04 -4.32 0.26 0.00 0.01 0.00 0.00 46.19 42.17 1fjd s LEU 101 CO 0.62 -3.25 1.05 -2.16 1.01 0.00 0.00 176.35 173.63 1fjd s PRO 102 N -4.64 -0.55 1.22 1.29 0.04 -1.26 -4.79 135.00 126.31 1fjd s PRO 102 Ca 0.67 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 62.52 1fjd s PRO 102 Cb -0.23 -1.58 0.29 0.00 0.04 0.00 0.00 34.50 33.02 1fjd s PRO 102 CO 0.59 -3.53 1.06 0.08 0.04 0.00 0.00 177.00 175.25 1fjd s VAL 103 N -2.49 1.62 0.53 -0.36 1.01 -1.26 -4.76 120.40 114.68 1fjd s VAL 103 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1fjd s VAL 103 Cb -0.25 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1fjd s VAL 103 CO 0.63 0.00 0.00 -1.20 0.00 0.00 0.00 175.10 174.53 1fjd n SER 104 N -4.88 -8.46 0.00 3.32 7.64 0.64 -3.78 113.62 108.10 1fjd n SER 104 Ca 0.11 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1fjd n SER 104 Cb 0.59 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 1fjd n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fjd n GLY 105 N -4.32 -0.47 5.28 0.23 0.00 -1.25 -3.37 105.19 101.29 1fjd n GLY 105 Ca -0.05 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1fjd n GLY 105 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1fjd n MET 106 N 0.00 0.00 -2.66 1.61 0.00 -1.26 -3.04 117.12 111.78 1fjd n MET 106 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.70 57.67 1fjd n MET 106 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 33.22 33.34 1fjd n MET 106 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1fjd n ASP 107 N 1.74 -1.13 0.00 6.12 2.03 -1.26 -4.60 116.55 119.45 1fjd n ASP 107 Ca 0.00 -1.70 0.00 0.00 0.52 0.00 0.00 54.79 53.61 1fjd n ASP 107 Cb 0.00 1.08 0.00 0.00 -0.72 0.00 0.00 41.12 41.48 1fjd n ASP 107 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1fjd n LYS 108 N 0.51 0.00 0.00 -0.67 4.76 -1.17 -5.05 118.16 116.55 1fjd n LYS 108 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 1fjd n LYS 108 Cb 0.76 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.95 1fjd n LYS 108 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1fjd n PRO 109 N 0.00 0.00 -0.02 1.97 -0.01 -1.25 -4.74 135.00 130.95 1fjd n PRO 109 Ca 0.00 0.09 -0.01 0.00 -0.01 0.00 0.00 63.50 63.57 1fjd n PRO 109 Cb 0.00 -1.02 0.01 0.00 -0.01 0.00 0.00 33.50 32.48 1fjd n PRO 109 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 175.50 177.04 1fjd n VAL 110 N -0.63 0.00 0.00 -1.45 3.14 -1.25 -4.97 118.33 113.18 1fjd n VAL 110 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1fjd n VAL 110 Cb 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 1fjd n VAL 110 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1fjd n PHE 111 N -2.76 0.00 -0.02 1.45 3.01 -1.26 -5.00 117.46 112.87 1fjd n PHE 111 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 1fjd n PHE 111 Cb 0.02 0.01 0.01 0.00 -0.01 0.00 0.00 39.48 39.51 1fjd n PHE 111 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1fjd n THR 112 N -2.66 0.00 -3.62 4.37 5.66 -1.26 -4.93 114.28 111.84 1fjd n THR 112 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1fjd n THR 112 Cb 0.47 -0.04 -0.07 0.00 -1.55 0.00 0.00 70.33 69.13 1fjd n THR 112 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1fjd s ASP 113 N -1.74 6.35 0.10 1.09 1.47 -1.26 -4.99 116.67 117.68 1fjd s ASP 113 Ca 0.03 0.40 -0.32 0.00 1.18 0.00 0.00 52.55 53.84 1fjd s ASP 113 Cb -0.01 -2.14 -0.13 0.00 -0.34 0.00 0.00 42.92 40.30 1fjd s ASP 113 CO 0.02 0.14 1.60 1.55 0.68 0.00 0.00 175.17 179.16 1fjd h PRO 114 N 6.62 -0.75 -4.72 2.11 0.13 -1.88 -3.30 132.00 130.20 1fjd h PRO 114 Ca -0.41 0.05 -0.40 0.00 -0.87 0.00 0.00 66.00 64.37 1fjd h PRO 114 Cb 1.16 0.17 0.10 0.00 0.13 0.00 0.00 31.00 32.56 1fjd h PRO 114 CO 0.75 -0.50 1.21 -0.35 -0.23 0.00 0.00 178.00 178.89 1fjd n PRO 115 N -5.48 0.00 -3.36 1.56 -0.04 -1.25 -3.17 135.00 123.25 1fjd n PRO 115 Ca -0.10 -0.81 -0.32 0.00 -0.04 0.00 0.00 63.50 62.23 1fjd n PRO 115 Cb 0.38 -2.28 -0.05 0.00 -0.04 0.00 0.00 33.50 31.51 1fjd n PRO 115 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fjd s VAL 116 N 6.20 4.90 0.06 0.52 -7.23 -0.35 -4.59 120.40 119.91 1fjd s VAL 116 Ca 0.47 0.51 0.06 0.00 -1.81 0.00 0.00 61.98 61.21 1fjd s VAL 116 Cb 0.10 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 1fjd s VAL 116 CO 0.24 -0.11 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.05 1fjd s LYS 117 N -2.91 2.24 0.00 4.82 2.20 -1.25 0.67 119.74 125.51 1fjd s LYS 117 Ca 0.48 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 55.17 1fjd s LYS 117 Cb -0.11 -2.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.88 1fjd s LYS 117 CO 0.21 0.55 0.00 -2.37 -0.36 0.00 0.00 175.35 173.38 1fjd n THR 118 N 1.20 0.00 0.00 3.43 5.66 -1.25 -4.97 114.28 118.36 1fjd n THR 118 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1fjd n THR 118 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1fjd n THR 118 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1fjd n LYS 119 N 0.00 0.00 -2.79 1.09 4.81 -1.26 -4.97 118.16 115.04 1fjd n LYS 119 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1fjd n LYS 119 Cb 0.00 -0.24 0.05 0.00 0.02 0.00 0.00 35.03 34.86 1fjd n LYS 119 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1fjd n PHE 120 N -2.13 -0.76 0.00 5.64 7.35 -1.26 -5.12 117.46 121.18 1fjd n PHE 120 Ca 0.00 -2.65 0.00 0.00 -0.76 0.00 0.00 57.45 54.04 1fjd n PHE 120 Cb 0.00 0.52 0.00 0.00 0.35 0.00 0.00 39.48 40.35 1fjd n PHE 120 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1fjd n GLY 121 N -0.07 0.56 3.33 7.13 0.00 -1.26 -4.88 105.19 110.00 1fjd n GLY 121 Ca 0.08 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1fjd n GLY 121 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fjd s TYR 122 N -1.30 3.29 -0.08 1.61 1.51 -1.26 -3.81 117.35 117.31 1fjd s TYR 122 Ca 0.00 -1.24 -0.05 0.00 -1.01 0.00 0.00 57.07 54.77 1fjd s TYR 122 Cb 0.00 -2.99 -0.04 0.00 -0.11 0.00 0.00 41.96 38.82 1fjd s TYR 122 CO 0.00 -0.81 0.13 -3.38 -1.11 0.00 0.00 175.55 170.38 1fjd s HIS 123 N 1.52 3.50 -0.35 2.71 -3.43 0.21 -2.54 115.29 116.92 1fjd s HIS 123 Ca 0.03 0.42 -0.21 0.00 -0.80 0.00 0.00 55.06 54.50 1fjd s HIS 123 Cb -0.23 -1.88 0.00 0.00 -1.43 0.00 0.00 32.58 29.04 1fjd s HIS 123 CO 0.04 0.67 0.69 0.42 -2.00 0.00 0.00 174.74 174.56 1fjd s ILE 124 N -1.09 4.85 -0.39 -5.38 1.01 0.19 -1.21 121.20 119.18 1fjd s ILE 124 Ca 0.18 0.75 -0.22 0.00 0.00 0.00 0.00 60.65 61.37 1fjd s ILE 124 Cb -0.12 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.26 1fjd s ILE 124 CO 0.08 -0.31 0.70 -0.63 0.00 0.00 0.00 174.94 174.77 1fjd s ILE 125 N 2.82 4.80 -0.26 2.92 1.01 -1.23 -2.60 121.20 128.66 1fjd s ILE 125 Ca 0.27 0.51 0.02 0.00 0.00 0.00 0.00 60.65 61.46 1fjd s ILE 125 Cb -0.14 -4.18 0.06 0.00 0.01 0.00 0.00 42.46 38.21 1fjd s ILE 125 CO 0.15 -0.48 -0.08 0.00 0.00 0.00 0.00 174.94 174.53 1fjd s MET 126 N 2.93 1.97 0.26 2.79 0.23 -1.12 -3.79 119.30 122.57 1fjd s MET 126 Ca 0.26 -1.29 -0.11 0.00 -1.03 0.00 0.00 55.69 53.53 1fjd s MET 126 Cb -0.14 -2.82 -0.08 0.00 -1.53 0.00 0.00 34.83 30.27 1fjd s MET 126 CO 0.18 -0.62 0.60 0.08 -2.03 0.00 0.00 175.02 173.23 1fjd s VAL 127 N 1.17 4.87 -0.37 5.16 1.01 -1.22 -0.42 120.40 130.61 1fjd s VAL 127 Ca -0.06 0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.53 1fjd s VAL 127 Cb -0.20 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 32.72 1fjd s VAL 127 CO -0.06 -0.12 0.35 -0.70 0.00 0.00 0.00 175.10 174.57 1fjd s GLU 128 N -2.91 0.64 0.00 2.72 2.12 0.92 0.24 118.70 122.43 1fjd s GLU 128 Ca 0.49 -1.02 0.00 0.00 0.36 0.00 0.00 54.97 54.80 1fjd s GLU 128 Cb -0.11 -0.86 0.00 0.00 0.26 0.00 0.00 34.13 33.42 1fjd s GLU 128 CO 0.21 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.13 1fjd n GLY 129 N 4.12 -1.47 3.15 -1.50 0.00 -1.26 -2.87 105.19 105.36 1fjd n GLY 129 Ca 0.12 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 1fjd n GLY 129 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fjd s ARG 130 N -2.37 0.85 0.00 1.61 3.00 -1.25 -1.09 118.95 119.70 1fjd s ARG 130 Ca 0.00 -1.37 0.00 0.00 -1.00 0.00 0.00 55.73 53.36 1fjd s ARG 130 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 34.95 35.03 1fjd s ARG 130 CO 0.00 -0.16 0.00 0.36 0.00 0.00 0.00 175.30 175.50