#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djp n GLU 2 N 0.00 2.23 -1.41 1.64 2.13 -1.26 -4.95 120.64 119.02 3djp n GLU 2 Ca 0.00 0.82 -0.32 0.00 0.66 0.00 0.00 57.16 58.32 3djp n GLU 2 Cb 0.00 -2.65 0.08 0.00 0.27 0.00 0.00 31.44 29.14 3djp n GLU 2 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3djp s SER 3 N 3.11 4.64 0.26 4.31 1.04 -1.26 -4.82 113.70 120.98 3djp s SER 3 Ca 0.88 1.91 -0.05 0.00 0.48 0.00 0.00 55.95 59.18 3djp s SER 3 Cb -0.67 -2.54 0.31 0.00 0.10 0.00 0.00 66.02 63.23 3djp s SER 3 CO 0.46 -1.95 1.88 0.00 0.98 0.00 0.00 173.24 174.62 3djp h ALA 4 N -0.73 1.24 -0.36 5.32 0.00 -1.99 0.39 119.26 123.13 3djp h ALA 4 Ca -0.45 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 3djp h ALA 4 Cb 1.24 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3djp h ALA 4 CO 0.52 0.61 0.16 0.00 0.00 0.00 0.00 179.25 180.54 3djp h ALA 5 N 1.34 0.47 -0.39 0.00 0.00 -2.00 -1.21 119.26 117.47 3djp h ALA 5 Ca 0.29 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3djp h ALA 5 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3djp h ALA 5 CO -0.04 0.05 -0.09 0.00 0.00 0.00 0.00 179.25 179.16 3djp h ALA 6 N 1.01 1.11 -0.66 0.00 0.00 -1.86 -2.05 119.26 116.80 3djp h ALA 6 Ca 0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3djp h ALA 6 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3djp h ALA 6 CO -0.01 0.56 0.16 -0.22 0.00 0.00 0.00 179.25 179.73 3djp h LYS 7 N 0.62 1.06 -0.50 0.00 3.64 -0.57 -0.60 116.57 120.22 3djp h LYS 7 Ca 0.11 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3djp h LYS 7 Cb 0.53 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3djp h LYS 7 CO 0.03 0.95 0.28 0.35 -2.27 0.00 0.00 179.45 178.79 3djp h PHE 8 N 0.98 0.68 -0.81 1.91 3.04 -0.95 0.34 116.94 122.13 3djp h PHE 8 Ca 0.21 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.14 3djp h PHE 8 Cb 0.37 -0.22 -0.04 0.00 2.56 0.00 0.00 35.95 38.62 3djp h PHE 8 CO 0.03 0.50 0.51 0.93 -2.02 0.00 0.00 178.31 178.25 3djp h GLU 9 N 0.67 1.09 -0.19 1.11 5.08 -1.00 0.10 114.58 121.45 3djp h GLU 9 Ca 0.18 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3djp h GLU 9 Cb 0.04 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3djp h GLU 9 CO -0.03 0.75 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.59 3djp h ARG 10 N 1.11 0.36 0.00 2.33 2.43 -0.86 -1.90 114.38 117.85 3djp h ARG 10 Ca 0.29 -0.14 -0.16 0.00 -0.81 0.00 0.00 59.98 59.16 3djp h ARG 10 Cb -0.08 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3djp h ARG 10 CO -0.06 0.62 -0.77 1.96 -1.51 0.00 0.00 179.97 180.21 3djp h GLN 11 N 0.07 0.00 0.00 0.20 4.20 -0.80 -3.40 115.11 115.38 3djp h GLN 11 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3djp h GLN 11 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3djp h GLN 11 CO 0.02 0.77 0.00 0.72 -0.67 0.00 0.00 178.83 179.67 3djp n HIS 12 N -3.61 0.00 -4.04 2.96 8.25 0.35 -5.03 115.22 114.11 3djp n HIS 12 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 3djp n HIS 12 Cb 0.75 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.75 3djp n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3djp s MET 13 N -0.42 3.79 -0.41 -0.41 -1.94 -0.72 -4.98 119.30 114.21 3djp s MET 13 Ca 0.00 -0.43 0.07 0.00 -1.71 0.00 0.00 55.69 53.61 3djp s MET 13 Cb 0.00 -3.17 0.22 0.00 2.01 0.00 0.00 34.83 33.90 3djp s MET 13 CO 0.00 0.12 0.52 -3.47 -0.01 0.00 0.00 175.02 172.17 3djp n ASP 14 N 3.98 -0.48 -4.73 3.03 2.03 -1.26 -4.82 116.55 114.29 3djp n ASP 14 Ca -0.17 -2.67 -0.42 0.00 0.52 0.00 0.00 54.79 52.05 3djp n ASP 14 Cb 0.52 -0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.63 3djp n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3djp s SER 15 N -0.80 6.70 0.00 1.67 0.01 -1.26 -4.93 113.70 115.10 3djp s SER 15 Ca 0.34 2.56 0.00 0.00 1.31 0.00 0.00 55.95 60.15 3djp s SER 15 Cb 0.13 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.75 3djp s SER 15 CO -0.15 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.42 3djp n GLY 16 N 2.82 2.99 0.09 3.44 0.00 -1.26 -5.03 105.19 108.24 3djp n GLY 16 Ca 0.09 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 3djp n GLY 16 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3djp h ASN 17 N 0.00 0.23 -2.04 1.61 2.35 -2.08 -3.41 115.58 112.23 3djp h ASN 17 Ca 0.00 -0.31 -0.53 0.00 -0.55 0.00 0.00 56.30 54.91 3djp h ASN 17 Cb 0.00 -0.07 -0.40 0.00 0.05 0.00 0.00 38.32 37.90 3djp h ASN 17 CO 0.00 1.25 -1.06 -1.20 -1.65 0.00 0.00 177.43 174.77 3djp n SER 18 N -3.36 1.18 -0.17 5.81 7.64 -1.26 -4.98 113.62 118.48 3djp n SER 18 Ca -0.12 -2.99 0.08 0.00 1.01 0.00 0.00 58.87 56.85 3djp n SER 18 Cb 1.02 -0.63 0.38 0.00 -1.01 0.00 0.00 64.21 63.97 3djp n SER 18 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3djp h PRO 19 N 3.47 0.66 -0.02 1.43 0.13 -1.92 -2.13 132.00 133.63 3djp h PRO 19 Ca 0.10 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3djp h PRO 19 Cb 0.86 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3djp h PRO 19 CO 0.54 0.44 -0.05 -1.13 -0.23 0.00 0.00 178.00 177.57 3djp n SER 20 N -4.48 1.72 -4.53 1.44 3.41 -1.26 -4.83 113.62 105.09 3djp n SER 20 Ca 0.11 -1.51 -0.39 0.00 -0.26 0.00 0.00 58.87 56.82 3djp n SER 20 Cb 0.27 0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3djp n SER 20 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3djp n SER 21 N 0.27 -0.07 0.17 4.04 2.88 -0.80 -4.88 113.62 115.23 3djp n SER 21 Ca 0.17 0.85 0.07 0.00 -1.33 0.00 0.00 58.87 58.63 3djp n SER 21 Cb 0.40 -1.25 0.57 0.00 -0.75 0.00 0.00 64.21 63.18 3djp n SER 21 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3djp h SER 22 N 0.69 0.15 0.10 -3.46 4.64 -1.93 -0.91 113.55 112.84 3djp h SER 22 Ca -0.45 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3djp h SER 22 Cb 1.38 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3djp h SER 22 CO 0.51 0.11 0.00 0.77 -0.87 0.00 0.00 176.83 177.35 3djp h SER 23 N 0.18 0.00 0.02 4.97 4.64 -1.93 -1.77 113.55 119.67 3djp h SER 23 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3djp h SER 23 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3djp h SER 23 CO -0.01 0.00 -0.09 0.59 -0.87 0.00 0.00 176.83 176.45 3djp n ASN 24 N -2.66 1.92 0.00 4.97 4.13 -0.35 -4.42 115.26 118.86 3djp n ASN 24 Ca -0.02 -1.55 -0.10 0.00 1.68 0.00 0.00 54.58 54.59 3djp n ASN 24 Cb 0.08 0.07 -0.03 0.00 -1.54 0.00 0.00 39.78 38.35 3djp n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 3djp h TYR 25 N 2.88 -0.49 -0.76 3.10 3.20 -1.41 -2.00 116.97 121.50 3djp h TYR 25 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3djp h TYR 25 Cb 0.67 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 3djp h TYR 25 CO 0.00 -0.26 0.42 0.00 -1.64 0.00 0.00 178.16 176.68 3djp h ASN 27 N 1.04 0.12 -0.17 0.00 2.35 -1.72 0.16 115.58 117.35 3djp h ASN 27 Ca 0.27 0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 56.01 3djp h ASN 27 Cb 0.02 0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 3djp h ASN 27 CO -0.04 0.08 -0.25 -0.07 -1.65 0.00 0.00 177.43 175.49 3djp h LEU 28 N 0.32 0.52 -0.18 1.61 3.38 -0.85 -2.95 115.31 117.15 3djp h LEU 28 Ca 0.28 -0.52 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 3djp h LEU 28 Cb 0.35 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3djp h LEU 28 CO -0.31 0.94 -0.47 0.24 0.09 0.00 0.00 178.44 178.93 3djp h MET 29 N 0.11 0.65 -0.54 1.13 2.86 -0.34 0.38 114.93 119.17 3djp h MET 29 Ca 0.02 -0.45 -0.02 0.00 -2.06 0.00 0.00 59.70 57.19 3djp h MET 29 Cb 0.83 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 3djp h MET 29 CO 0.06 1.07 0.26 0.52 1.06 0.00 0.00 176.91 179.87 3djp h MET 30 N 0.33 0.76 0.27 1.72 2.86 -0.80 0.23 114.93 120.30 3djp h MET 30 Ca -0.01 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3djp h MET 30 Cb 1.09 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.60 3djp h MET 30 CO 0.10 0.60 -0.13 0.00 1.06 0.00 0.00 176.91 178.54 3djp n ARG 33 N -4.70 1.55 -3.29 0.00 5.12 0.78 -4.90 116.66 111.23 3djp n ARG 33 Ca 0.09 -0.57 -0.17 0.00 -1.93 0.00 0.00 57.85 55.26 3djp n ARG 33 Cb 0.14 -1.38 0.06 0.00 -1.16 0.00 0.00 32.46 30.11 3djp n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3djp n LYS 34 N 0.03 -5.74 -0.33 5.56 4.76 -0.79 -4.93 118.16 116.72 3djp n LYS 34 Ca 0.05 0.60 0.07 0.00 -2.87 0.00 0.00 58.31 56.16 3djp n LYS 34 Cb 0.28 -4.94 0.21 0.00 -1.84 0.00 0.00 35.03 28.75 3djp n LYS 34 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3djp n MET 35 N -3.74 2.88 -0.43 1.97 2.81 -0.09 -4.40 117.12 116.12 3djp n MET 35 Ca 0.00 -2.51 0.06 0.00 -1.81 0.00 0.00 57.70 53.44 3djp n MET 35 Cb 0.54 -1.61 0.10 0.00 -0.71 0.00 0.00 33.22 31.55 3djp n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3djp n THR 36 N -0.14 1.19 -3.34 2.03 -2.24 -1.21 -1.55 114.28 109.03 3djp n THR 36 Ca 0.17 -1.64 -0.39 0.00 -2.27 0.00 0.00 64.05 59.93 3djp n THR 36 Cb 0.70 0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.96 3djp n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3djp s GLN 37 N -1.80 4.14 0.00 -0.78 -0.21 -1.26 -4.45 119.66 115.29 3djp s GLN 37 Ca 0.24 0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.85 3djp s GLN 37 Cb 0.22 -3.58 0.00 0.00 1.00 0.00 0.00 33.01 30.66 3djp s GLN 37 CO -0.02 -0.15 0.00 0.41 -2.12 0.00 0.00 175.29 173.42 3djp n GLY 38 N 4.11 2.27 3.53 3.09 0.00 -1.26 -4.86 105.19 112.06 3djp n GLY 38 Ca -0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 3djp n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3djp s LYS 39 N 0.00 1.40 -0.30 1.61 0.00 -1.26 -5.03 119.74 116.16 3djp s LYS 39 Ca 0.00 -0.96 -0.23 0.00 0.00 0.00 0.00 55.97 54.78 3djp s LYS 39 Cb 0.00 0.50 -0.00 0.00 0.00 0.00 0.00 37.83 38.33 3djp s LYS 39 CO 0.00 -0.59 0.78 0.00 0.00 0.00 0.00 175.35 175.54 3djp n LYS 41 N 6.14 2.36 -0.07 0.00 4.81 -0.59 -4.88 118.16 125.92 3djp n LYS 41 Ca 0.03 0.86 -0.11 0.00 -0.87 0.00 0.00 58.31 58.22 3djp n LYS 41 Cb 0.48 -2.69 0.02 0.00 0.02 0.00 0.00 35.03 32.87 3djp n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3djp h PRO 42 N 7.62 0.79 -3.68 1.64 0.11 -1.93 -3.43 132.00 133.11 3djp h PRO 42 Ca -0.46 -0.42 -0.28 0.00 0.11 0.00 0.00 66.00 64.94 3djp h PRO 42 Cb 1.25 0.02 -0.31 0.00 0.11 0.00 0.00 31.00 32.06 3djp h PRO 42 CO 0.92 1.05 -0.73 0.08 -0.21 0.00 0.00 178.00 179.11 3djp s VAL 43 N -4.30 0.03 -0.21 3.15 1.01 -1.26 -1.77 120.40 117.05 3djp s VAL 43 Ca -0.10 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 3djp s VAL 43 Cb 0.11 -0.10 0.06 0.00 0.00 0.00 0.00 36.38 36.45 3djp s VAL 43 CO 0.86 0.07 0.59 0.21 0.00 0.00 0.00 175.10 176.83 3djp s ASN 44 N 0.59 -0.61 -0.09 3.32 2.47 -0.44 -5.01 114.94 115.17 3djp s ASN 44 Ca -0.05 1.13 0.03 0.00 0.42 0.00 0.00 52.86 54.39 3djp s ASN 44 Cb -0.08 1.14 -0.01 0.00 -1.45 0.00 0.00 41.25 40.85 3djp s ASN 44 CO -0.02 -0.24 -0.17 -0.89 -3.72 0.00 0.00 177.10 172.06 3djp s THR 45 N 0.17 2.72 -0.06 -5.21 2.01 -1.26 -0.05 115.64 113.96 3djp s THR 45 Ca -0.01 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.18 3djp s THR 45 Cb -0.04 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 3djp s THR 45 CO 0.02 0.55 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.12 3djp s PHE 46 N -0.02 3.08 -0.15 4.92 0.08 0.20 -4.97 117.98 121.11 3djp s PHE 46 Ca -0.05 0.12 -0.02 0.00 0.12 0.00 0.00 56.93 57.10 3djp s PHE 46 Cb -0.14 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 3djp s PHE 46 CO 0.04 0.43 -0.08 0.08 -0.10 0.00 0.00 175.22 175.60 3djp s VAL 47 N -0.92 3.46 -0.46 -0.44 1.01 -1.26 -0.67 120.40 121.12 3djp s VAL 47 Ca 0.15 -0.51 0.15 0.00 0.00 0.00 0.00 61.98 61.77 3djp s VAL 47 Cb -0.11 -2.49 0.81 0.00 0.00 0.00 0.00 36.38 34.58 3djp s VAL 47 CO 0.04 0.50 1.73 1.41 0.00 0.00 0.00 175.10 178.78 3djp n HIS 48 N 3.62 1.97 -3.37 5.22 -0.00 0.56 -4.94 115.22 118.27 3djp n HIS 48 Ca -0.18 -0.70 -0.19 0.00 -0.00 0.00 0.00 57.72 56.66 3djp n HIS 48 Cb 0.52 -0.46 -0.00 0.00 -0.00 0.00 0.00 29.99 30.06 3djp n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3djp s GLU 49 N -2.56 3.02 0.62 -0.41 0.41 -1.26 -4.92 118.70 113.60 3djp s GLU 49 Ca 0.54 -1.09 -0.18 0.00 -0.41 0.00 0.00 54.97 53.83 3djp s GLU 49 Cb 0.40 -2.78 -0.02 0.00 -1.78 0.00 0.00 34.13 29.95 3djp s GLU 49 CO 0.18 -0.02 1.22 -1.54 -0.49 0.00 0.00 175.26 174.61 3djp s SER 50 N -4.21 4.95 0.35 -0.19 1.04 -1.26 -4.86 113.70 109.53 3djp s SER 50 Ca 0.47 2.43 0.06 0.00 0.48 0.00 0.00 55.95 59.39 3djp s SER 50 Cb -0.09 -2.60 0.74 0.00 0.10 0.00 0.00 66.02 64.16 3djp s SER 50 CO 0.31 -1.76 1.93 0.25 0.98 0.00 0.00 173.24 174.96 3djp h LEU 51 N 0.67 0.68 -0.76 2.42 5.85 -1.97 -2.13 115.31 120.07 3djp h LEU 51 Ca -0.50 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.24 3djp h LEU 51 Cb 1.31 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 3djp h LEU 51 CO 0.54 0.42 0.50 0.00 -0.34 0.00 0.00 178.44 179.56 3djp h ALA 52 N 1.59 0.98 -0.59 1.25 0.00 -1.99 0.20 119.26 120.70 3djp h ALA 52 Ca 0.35 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3djp h ALA 52 Cb 0.36 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3djp h ALA 52 CO -0.13 0.36 0.06 -0.44 0.00 0.00 0.00 179.25 179.09 3djp h ASP 53 N 1.01 0.95 -0.25 0.00 3.32 -1.78 -0.10 116.42 119.57 3djp h ASP 53 Ca 0.29 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 3djp h ASP 53 Cb -0.08 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.21 3djp h ASP 53 CO -0.07 0.98 -0.35 0.58 -1.72 0.00 0.00 179.24 178.66 3djp h VAL 54 N 0.92 1.31 -0.61 -1.35 2.07 -1.01 -2.97 116.25 114.62 3djp h VAL 54 Ca 0.18 -1.54 0.03 0.00 0.82 0.00 0.00 66.70 66.18 3djp h VAL 54 Cb 0.46 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3djp h VAL 54 CO 0.02 0.49 0.40 0.11 0.02 0.00 0.00 177.57 178.61 3djp h LYS 55 N 0.39 0.72 -0.13 1.57 1.57 -0.49 -2.18 116.57 118.02 3djp h LYS 55 Ca 0.03 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3djp h LYS 55 Cb 0.93 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3djp h LYS 55 CO 0.08 0.48 0.12 0.00 -0.57 0.00 0.00 179.45 179.56 3djp h ALA 56 N 1.64 1.88 -0.20 3.86 0.00 -0.85 -1.85 119.26 123.75 3djp h ALA 56 Ca 0.24 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3djp h ALA 56 Cb 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3djp h ALA 56 CO -0.06 -0.19 0.14 0.28 0.00 0.00 0.00 179.25 179.42 3djp h VAL 57 N 0.00 0.96 0.00 0.00 2.07 -1.37 -0.36 116.25 117.55 3djp h VAL 57 Ca 0.06 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3djp h VAL 57 Cb 0.30 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3djp h VAL 57 CO -0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 3djp n SER 59 N -1.42 2.28 0.00 0.00 3.41 -0.15 -5.03 113.62 112.72 3djp n SER 59 Ca 0.02 -2.87 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 3djp n SER 59 Cb 0.05 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 3djp n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3djp n GLN 60 N -1.25 3.04 -2.44 4.33 6.02 0.10 -5.01 117.38 122.17 3djp n GLN 60 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 3djp n GLN 60 Cb 0.56 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.80 3djp n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3djp s LYS 61 N 4.95 3.70 0.15 -1.09 2.20 -1.07 -4.85 119.74 123.72 3djp s LYS 61 Ca 0.00 0.92 -0.33 0.00 -0.36 0.00 0.00 55.97 56.20 3djp s LYS 61 Cb 0.00 -3.96 -0.13 0.00 -1.51 0.00 0.00 37.83 32.24 3djp s LYS 61 CO 0.00 -1.40 1.70 1.63 -0.36 0.00 0.00 175.35 176.92 3djp n LYS 62 N 7.82 2.47 -4.07 4.03 5.02 -1.26 0.11 118.16 132.28 3djp n LYS 62 Ca 0.15 0.89 -0.10 0.00 -2.02 0.00 0.00 58.31 57.23 3djp n LYS 62 Cb 0.48 -2.72 -0.11 0.00 -0.02 0.00 0.00 35.03 32.66 3djp n LYS 62 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3djp s VAL 63 N 1.62 0.40 0.24 -0.18 -7.23 -0.59 -4.84 120.40 109.81 3djp s VAL 63 Ca 0.79 -1.40 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 3djp s VAL 63 Cb -0.59 -0.97 -0.09 0.00 0.56 0.00 0.00 36.38 35.29 3djp s VAL 63 CO 0.37 -0.66 1.17 -0.89 -0.31 0.00 0.00 175.10 174.78 3djp s THR 64 N -2.49 3.44 0.66 5.32 2.01 -1.26 -3.36 115.64 119.97 3djp s THR 64 Ca -0.03 1.33 -0.16 0.00 0.31 0.00 0.00 61.69 63.15 3djp s THR 64 Cb -0.02 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.64 3djp s THR 64 CO -0.03 0.27 1.15 0.00 -0.69 0.00 0.00 174.62 175.31 3djp h LYS 66 N 0.15 0.49 -0.27 0.00 1.57 -1.89 -1.42 116.57 115.20 3djp h LYS 66 Ca -0.48 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3djp h LYS 66 Cb 1.27 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3djp h LYS 66 CO 0.53 0.32 0.00 0.27 -0.57 0.00 0.00 179.45 180.01 3djp n ASN 67 N -4.65 1.45 0.00 0.86 6.94 -1.26 -4.91 115.26 113.69 3djp n ASN 67 Ca 0.23 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.81 3djp n ASN 67 Cb 0.75 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 3djp n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3djp n GLY 68 N 0.94 1.84 3.74 4.83 0.00 -0.53 -5.04 105.19 110.96 3djp n GLY 68 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3djp n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3djp s GLN 69 N -0.37 1.99 -0.18 1.61 -0.21 -1.26 -4.78 119.66 116.46 3djp s GLN 69 Ca 0.00 1.39 0.15 0.00 0.02 0.00 0.00 55.36 56.92 3djp s GLN 69 Cb 0.00 -1.85 0.38 0.00 1.00 0.00 0.00 33.01 32.54 3djp s GLN 69 CO 0.00 -1.88 1.23 0.25 -2.12 0.00 0.00 175.29 172.78 3djp n THR 70 N -3.44 2.10 -1.70 -0.19 -2.24 -1.26 -1.36 114.28 106.19 3djp n THR 70 Ca 0.11 -2.59 -0.10 0.00 -2.27 0.00 0.00 64.05 59.19 3djp n THR 70 Cb 0.52 -0.25 0.13 0.00 -2.10 0.00 0.00 70.33 68.63 3djp n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3djp n ASN 71 N -1.21 3.47 -4.91 3.42 6.94 -1.26 -4.97 115.26 116.74 3djp n ASN 71 Ca 0.19 -3.82 -0.24 0.00 -0.02 0.00 0.00 54.58 50.70 3djp n ASN 71 Cb 0.72 -0.52 -0.03 0.00 -2.36 0.00 0.00 39.78 37.59 3djp n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3djp s TYR 73 N -1.89 -0.38 -0.11 0.00 1.51 -0.18 -1.55 117.35 114.75 3djp s TYR 73 Ca 0.34 0.92 -0.03 0.00 -1.01 0.00 0.00 57.07 57.28 3djp s TYR 73 Cb -0.10 0.13 -0.03 0.00 -0.11 0.00 0.00 41.96 41.85 3djp s TYR 73 CO 0.27 -0.20 0.01 -1.14 -1.11 0.00 0.00 175.55 173.38 3djp s GLN 74 N 0.42 3.24 0.34 -0.62 0.74 0.30 -1.35 119.66 122.73 3djp s GLN 74 Ca -0.02 -0.41 -0.29 0.00 0.05 0.00 0.00 55.36 54.70 3djp s GLN 74 Cb -0.04 -2.88 -0.11 0.00 1.10 0.00 0.00 33.01 31.09 3djp s GLN 74 CO -0.02 0.58 1.38 -1.54 -0.55 0.00 0.00 175.29 175.14 3djp s SER 75 N -0.53 6.62 0.28 6.67 1.04 0.33 -2.61 113.70 125.51 3djp s SER 75 Ca 0.09 2.81 0.01 0.00 0.48 0.00 0.00 55.95 59.34 3djp s SER 75 Cb -0.12 -2.65 0.40 0.00 0.10 0.00 0.00 66.02 63.74 3djp s SER 75 CO 0.02 -0.66 1.73 0.07 0.98 0.00 0.00 173.24 175.38 3djp h LYS 76 N 3.43 0.56 -6.14 4.02 2.10 -1.94 -3.44 116.57 115.17 3djp h LYS 76 Ca -0.49 -0.19 -0.58 0.00 -2.00 0.00 0.00 60.65 57.38 3djp h LYS 76 Cb 1.23 -0.04 -0.11 0.00 -0.90 0.00 0.00 32.23 32.40 3djp h LYS 76 CO 0.66 0.72 -0.67 -1.12 -2.00 0.00 0.00 179.45 177.05 3djp s SER 77 N -6.77 4.15 0.68 7.07 0.01 -1.26 -5.08 113.70 112.49 3djp s SER 77 Ca -0.08 -0.88 -0.15 0.00 1.31 0.00 0.00 55.95 56.16 3djp s SER 77 Cb 0.14 -0.58 0.01 0.00 0.21 0.00 0.00 66.02 65.80 3djp s SER 77 CO 0.80 -0.07 1.13 0.42 0.41 0.00 0.00 173.24 175.92 3djp s THR 78 N -2.45 3.01 0.10 1.44 -4.23 -1.26 -4.53 115.64 107.73 3djp s THR 78 Ca 0.32 0.48 0.06 0.00 -1.18 0.00 0.00 61.69 61.37 3djp s THR 78 Cb -0.04 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 3djp s THR 78 CO 0.18 -0.29 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.78 3djp s MET 79 N -4.05 0.98 -0.29 3.99 -1.94 0.48 -4.87 119.30 113.59 3djp s MET 79 Ca 0.69 -1.14 -0.29 0.00 -1.71 0.00 0.00 55.69 53.24 3djp s MET 79 Cb -0.22 -0.96 0.01 0.00 2.01 0.00 0.00 34.83 35.67 3djp s MET 79 CO 0.42 0.20 1.10 1.03 -0.01 0.00 0.00 175.02 177.76 3djp s ARG 80 N -2.26 4.11 0.12 2.03 0.52 -1.26 -1.93 118.95 120.28 3djp s ARG 80 Ca 0.05 1.20 0.03 0.00 -0.52 0.00 0.00 55.73 56.49 3djp s ARG 80 Cb -0.07 -3.73 -0.04 0.00 0.52 0.00 0.00 34.95 31.63 3djp s ARG 80 CO 0.03 -0.84 -0.08 0.96 0.02 0.00 0.00 175.30 175.38 3djp s ILE 81 N 3.60 0.95 -0.11 1.52 -4.36 -0.53 -0.33 121.20 121.95 3djp s ILE 81 Ca 0.47 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.88 3djp s ILE 81 Cb -0.14 -1.77 0.01 0.00 1.25 0.00 0.00 42.46 41.81 3djp s ILE 81 CO 0.14 -0.80 -0.18 -0.89 0.24 0.00 0.00 174.94 173.45 3djp s THR 82 N -3.47 1.67 -0.07 8.37 2.01 0.15 -1.60 115.64 122.70 3djp s THR 82 Ca 0.14 -0.76 -0.15 0.00 0.31 0.00 0.00 61.69 61.23 3djp s THR 82 Cb 0.04 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 3djp s THR 82 CO -0.02 0.47 0.40 -1.81 -0.69 0.00 0.00 174.62 172.97 3djp s ASP 83 N 0.78 6.68 -0.20 3.53 1.01 0.41 -0.63 116.67 128.25 3djp s ASP 83 Ca -0.10 0.81 -0.02 0.00 0.71 0.00 0.00 52.55 53.95 3djp s ASP 83 Cb -0.16 -2.24 0.01 0.00 1.01 0.00 0.00 42.92 41.54 3djp s ASP 83 CO 0.01 0.19 -0.12 0.00 0.21 0.00 0.00 175.17 175.47 3djp s ARG 85 N 1.39 1.66 0.25 0.00 0.52 -0.88 -1.33 118.95 120.56 3djp s ARG 85 Ca 0.05 -0.44 -0.31 0.00 -0.52 0.00 0.00 55.73 54.52 3djp s ARG 85 Cb -0.14 -1.39 -0.14 0.00 0.52 0.00 0.00 34.95 33.80 3djp s ARG 85 CO -0.08 0.07 1.30 0.39 0.02 0.00 0.00 175.30 177.00 3djp n GLU 86 N 3.66 1.82 -1.90 3.54 1.02 -0.73 0.01 120.64 128.06 3djp n GLU 86 Ca -0.22 0.64 -0.29 0.00 -0.02 0.00 0.00 57.16 57.27 3djp n GLU 86 Cb 0.52 -2.23 0.13 0.00 -0.02 0.00 0.00 31.44 29.84 3djp n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3djp s THR 87 N -0.35 2.00 0.19 2.62 -4.23 -0.92 -4.80 115.64 110.14 3djp s THR 87 Ca 0.66 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 61.05 3djp s THR 87 Cb -0.68 -2.99 0.10 0.00 1.34 0.00 0.00 72.50 70.27 3djp s THR 87 CO 0.53 0.00 1.84 1.23 -0.54 0.00 0.00 174.62 177.69 3djp h GLY 88 N -1.33 0.88 0.62 3.99 0.00 -1.95 -2.91 103.07 102.37 3djp h GLY 88 Ca -0.45 -0.34 0.08 0.00 0.00 0.00 0.00 47.33 46.62 3djp h GLY 88 CO 0.54 0.33 0.55 1.76 0.00 0.00 0.00 176.54 179.73 3djp h SER 89 N 0.84 0.84 -1.92 0.19 0.02 -1.95 -3.44 113.55 108.12 3djp h SER 89 Ca 0.23 0.03 -0.65 0.00 -0.84 0.00 0.00 61.79 60.56 3djp h SER 89 Cb -0.07 -0.14 0.06 0.00 0.14 0.00 0.00 62.40 62.39 3djp h SER 89 CO -0.05 0.50 0.46 -0.24 -1.14 0.00 0.00 176.83 176.37 3djp n SER 90 N -4.64 1.86 -3.66 3.07 2.88 -1.10 -5.00 113.62 107.02 3djp n SER 90 Ca 0.14 1.12 -0.09 0.00 -1.33 0.00 0.00 58.87 58.71 3djp n SER 90 Cb 0.24 -1.25 -0.08 0.00 -0.75 0.00 0.00 64.21 62.36 3djp n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3djp s LYS 91 N 0.22 0.60 0.39 -1.46 2.20 -1.02 -4.93 119.74 115.75 3djp s LYS 91 Ca 0.79 1.01 -0.27 0.00 -0.36 0.00 0.00 55.97 57.14 3djp s LYS 91 Cb -0.86 0.12 -0.11 0.00 -1.51 0.00 0.00 37.83 35.48 3djp s LYS 91 CO 0.47 -0.14 1.35 0.98 -0.36 0.00 0.00 175.35 177.66 3djp n TYR 92 N 4.01 2.47 0.64 4.03 9.36 -1.26 0.11 117.16 136.52 3djp n TYR 92 Ca -0.20 0.49 0.04 0.00 3.32 0.00 0.00 57.90 61.56 3djp n TYR 92 Cb 0.57 -2.44 0.16 0.00 -0.63 0.00 0.00 39.34 37.00 3djp n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3djp n PRO 93 N 0.26 2.15 -3.20 2.98 -0.04 -1.26 -4.97 135.00 130.92 3djp n PRO 93 Ca 0.04 -1.27 -0.44 0.00 -0.04 0.00 0.00 63.50 61.79 3djp n PRO 93 Cb 0.39 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 3djp n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3djp n ASN 94 N 0.39 5.91 -4.70 3.54 4.13 0.12 -5.02 115.26 119.62 3djp n ASN 94 Ca 0.12 -3.21 -0.42 0.00 1.68 0.00 0.00 54.58 52.75 3djp n ASN 94 Cb 0.43 -1.33 -0.03 0.00 -1.54 0.00 0.00 39.78 37.32 3djp n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3djp s ALA 96 N 1.52 1.56 0.04 0.00 0.00 -1.26 -4.93 121.76 118.70 3djp s ALA 96 Ca 0.53 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.80 3djp s ALA 96 Cb -0.23 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 3djp s ALA 96 CO 0.24 0.31 -0.15 0.71 0.00 0.00 0.00 175.76 176.88 3djp s TYR 97 N -0.11 1.28 -0.16 0.00 2.02 -1.26 -2.17 117.35 116.94 3djp s TYR 97 Ca -0.01 -0.36 -0.17 0.00 -0.37 0.00 0.00 57.07 56.16 3djp s TYR 97 Cb -0.10 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.66 3djp s TYR 97 CO 0.01 0.04 0.43 0.21 -1.57 0.00 0.00 175.55 174.68 3djp s LYS 98 N -1.19 4.25 -0.19 -0.62 2.36 0.10 -4.67 119.74 119.78 3djp s LYS 98 Ca 0.02 0.32 -0.13 0.00 -2.55 0.00 0.00 55.97 53.63 3djp s LYS 98 Cb -0.08 -3.49 -0.05 0.00 -1.05 0.00 0.00 37.83 33.17 3djp s LYS 98 CO 0.01 0.05 0.25 0.99 1.55 0.00 0.00 175.35 178.21 3djp s THR 99 N 0.99 5.32 -0.05 3.43 2.01 -1.26 -2.07 115.64 124.01 3djp s THR 99 Ca 0.22 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.66 3djp s THR 99 Cb -0.15 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.80 3djp s THR 99 CO 0.09 0.37 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.47 3djp s THR 100 N 0.67 0.43 -0.20 -0.82 2.01 -0.56 -4.96 115.64 112.22 3djp s THR 100 Ca 0.14 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.03 3djp s THR 100 Cb -0.13 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 3djp s THR 100 CO 0.03 0.23 0.13 -1.10 -0.69 0.00 0.00 174.62 173.22 3djp s GLN 101 N 1.31 4.15 0.17 4.92 -0.21 -1.26 -0.44 119.66 128.29 3djp s GLN 101 Ca -0.05 -0.22 -0.04 0.00 0.02 0.00 0.00 55.36 55.07 3djp s GLN 101 Cb -0.13 -3.40 -0.03 0.00 1.00 0.00 0.00 33.01 30.44 3djp s GLN 101 CO -0.02 0.32 0.17 0.14 -2.12 0.00 0.00 175.29 173.78 3djp s VAL 102 N 0.29 0.06 -0.24 1.09 -7.23 -0.63 -5.02 120.40 108.72 3djp s VAL 102 Ca 0.08 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 3djp s VAL 102 Cb -0.11 -2.14 0.05 0.00 0.56 0.00 0.00 36.38 34.74 3djp s VAL 102 CO -0.02 -0.25 -0.12 -1.61 -0.31 0.00 0.00 175.10 172.79 3djp s GLU 103 N -4.06 2.50 0.07 4.82 2.02 -1.26 -1.45 118.70 121.34 3djp s GLU 103 Ca 0.26 -1.18 -0.06 0.00 0.02 0.00 0.00 54.97 54.02 3djp s GLU 103 Cb 0.06 -2.84 -0.01 0.00 0.10 0.00 0.00 34.13 31.43 3djp s GLU 103 CO 0.05 -0.47 0.11 0.15 0.02 0.00 0.00 175.26 175.12 3djp s LYS 104 N 1.18 0.73 0.37 1.61 1.02 -0.81 -4.82 119.74 119.02 3djp s LYS 104 Ca -0.04 -1.01 -0.27 0.00 0.02 0.00 0.00 55.97 54.67 3djp s LYS 104 Cb -0.18 0.28 -0.09 0.00 -0.52 0.00 0.00 37.83 37.32 3djp s LYS 104 CO -0.07 -0.20 1.28 -1.01 -0.92 0.00 0.00 175.35 174.43 3djp s HIS 105 N -3.69 2.99 0.11 3.18 3.76 -0.16 -0.39 115.29 121.10 3djp s HIS 105 Ca 0.04 1.45 0.04 0.00 -0.15 0.00 0.00 55.06 56.44 3djp s HIS 105 Cb 0.05 -3.62 -0.04 0.00 1.11 0.00 0.00 32.58 30.08 3djp s HIS 105 CO -0.10 -1.81 0.08 0.96 -0.85 0.00 0.00 174.74 173.02 3djp s ILE 106 N -1.23 4.38 -0.13 0.60 -4.36 -1.26 -0.70 121.20 118.49 3djp s ILE 106 Ca 0.53 -0.95 0.02 0.00 -0.26 0.00 0.00 60.65 59.99 3djp s ILE 106 Cb -0.37 -3.15 0.01 0.00 1.25 0.00 0.00 42.46 40.20 3djp s ILE 106 CO 0.49 0.04 -0.18 -0.63 0.24 0.00 0.00 174.94 174.89 3djp s ILE 107 N -1.51 1.77 0.12 8.37 1.01 0.57 -0.51 121.20 131.02 3djp s ILE 107 Ca 0.29 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 60.21 3djp s ILE 107 Cb -0.11 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3djp s ILE 107 CO 0.22 0.49 -0.16 0.68 0.00 0.00 0.00 174.94 176.17 3djp s VAL 108 N 1.01 1.46 0.08 2.92 -7.23 -0.46 -0.73 120.40 117.46 3djp s VAL 108 Ca -0.04 -1.68 -0.21 0.00 -1.81 0.00 0.00 61.98 58.24 3djp s VAL 108 Cb -0.15 -1.54 -0.07 0.00 0.56 0.00 0.00 36.38 35.19 3djp s VAL 108 CO -0.04 -0.31 0.62 0.00 -0.31 0.00 0.00 175.10 175.06 3djp s ALA 109 N -1.84 3.54 -0.06 1.32 0.00 -0.05 -1.01 121.76 123.66 3djp s ALA 109 Ca 0.08 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.19 3djp s ALA 109 Cb -0.07 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 3djp s ALA 109 CO 0.04 0.32 -0.18 0.00 0.00 0.00 0.00 175.76 175.94 3djp s GLY 111 N -0.47 0.51 0.00 0.00 0.00 -0.34 -4.85 107.32 102.17 3djp s GLY 111 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.95 3djp s GLY 111 CO 0.01 -0.52 0.00 0.61 0.00 0.00 0.00 173.10 173.20 3djp n GLY 112 N -0.44 -2.45 2.67 0.20 0.00 -1.26 -1.54 105.19 102.37 3djp n GLY 112 Ca -0.03 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.13 3djp n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djp s LYS 113 N -0.61 0.22 0.73 1.61 1.02 -1.26 -2.92 119.74 118.54 3djp s LYS 113 Ca 0.00 -0.01 -0.16 0.00 0.02 0.00 0.00 55.97 55.82 3djp s LYS 113 Cb 0.00 -1.45 0.03 0.00 -0.52 0.00 0.00 37.83 35.89 3djp s LYS 113 CO 0.00 -0.53 1.11 -2.30 -0.92 0.00 0.00 175.35 172.71 3djp n PRO 114 N 5.22 0.54 -2.24 -1.68 -0.02 -1.26 -5.07 135.00 130.49 3djp n PRO 114 Ca -0.06 0.25 -0.43 0.00 -2.02 0.00 0.00 63.50 61.23 3djp n PRO 114 Cb 0.49 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 3djp n PRO 114 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3djp s SER 115 N -1.73 6.56 0.21 2.55 0.15 -1.15 -4.87 113.70 115.42 3djp s SER 115 Ca 0.75 1.53 0.03 0.00 0.70 0.00 0.00 55.95 58.96 3djp s SER 115 Cb -0.34 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.39 3djp s SER 115 CO 0.48 -1.12 -0.01 0.68 1.20 0.00 0.00 173.24 174.47 3djp s VAL 116 N 4.67 0.97 0.20 4.45 -7.23 -0.59 -4.83 120.40 118.04 3djp s VAL 116 Ca 0.65 -2.03 -0.32 0.00 -1.81 0.00 0.00 61.98 58.47 3djp s VAL 116 Cb -0.22 -2.24 -0.11 0.00 0.56 0.00 0.00 36.38 34.36 3djp s VAL 116 CO 0.26 -0.40 1.68 -2.84 -0.31 0.00 0.00 175.10 173.48 3djp s PRO 117 N -3.86 4.15 0.00 4.82 0.02 -1.26 -1.20 135.00 137.67 3djp s PRO 117 Ca 0.26 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.83 3djp s PRO 117 Cb 0.05 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.48 3djp s PRO 117 CO 0.07 -0.71 0.00 1.33 -0.33 0.00 0.00 177.00 177.36 3djp n VAL 118 N 3.86 0.00 -3.71 3.83 0.24 0.89 -4.87 118.33 118.57 3djp n VAL 118 Ca 0.15 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 62.04 3djp n VAL 118 Cb 0.36 0.79 -0.09 0.00 -1.47 0.00 0.00 33.84 33.43 3djp n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3djp s HIS 119 N -1.16 -0.46 -0.33 6.34 5.65 -1.17 -4.97 115.29 119.18 3djp s HIS 119 Ca 0.00 1.08 -0.16 0.00 0.25 0.00 0.00 55.06 56.23 3djp s HIS 119 Cb 0.00 0.18 -0.01 0.00 -1.18 0.00 0.00 32.58 31.56 3djp s HIS 119 CO 0.00 -0.29 0.41 0.12 -0.65 0.00 0.00 174.74 174.33 3djp s PHE 120 N -0.09 3.21 -0.19 3.88 2.19 -1.26 -0.87 117.98 124.84 3djp s PHE 120 Ca -0.03 0.12 -0.22 0.00 0.33 0.00 0.00 56.93 57.14 3djp s PHE 120 Cb -0.03 -2.73 -0.21 0.00 -1.31 0.00 0.00 43.02 38.74 3djp s PHE 120 CO 0.02 -0.43 0.31 0.22 1.83 0.00 0.00 175.22 177.17 3djp h ASP 121 N 8.41 0.04 -4.97 6.13 3.58 -1.27 -3.48 116.42 124.85 3djp h ASP 121 Ca -0.29 -0.60 0.22 0.00 0.42 0.00 0.00 57.03 56.77 3djp h ASP 121 Cb 1.14 -0.01 -0.14 0.00 1.72 0.00 0.00 39.33 42.04 3djp h ASP 121 CO 0.71 1.45 0.66 0.00 -2.88 0.00 0.00 179.24 179.18 3djp s ALA 122 N -2.36 -1.95 0.15 -0.78 0.00 -1.04 -4.88 121.76 110.90 3djp s ALA 122 Ca -0.27 0.88 0.10 0.00 0.00 0.00 0.00 51.96 52.67 3djp s ALA 122 Cb 0.05 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 3djp s ALA 122 CO 0.62 -0.84 -0.23 -1.54 0.00 0.00 0.00 175.76 173.77 3djp s SER 123 N -2.63 3.06 0.00 0.00 1.04 -1.26 -0.32 113.70 113.59 3djp s SER 123 Ca 0.10 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.75 3djp s SER 123 Cb 0.00 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.92 3djp s SER 123 CO -0.04 0.10 0.08 0.55 0.98 0.00 0.00 173.24 174.91