#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 1.26 -1.82 1.64 2.13 -1.26 -4.92 120.64 117.66 3djp n GLU 2 Ca 0.00 0.45 -0.32 0.00 0.66 0.00 0.00 57.16 57.94 3djp n GLU 2 Cb 0.00 -2.00 0.04 0.00 0.27 0.00 0.00 31.44 29.75 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 0.15 5.38 0.30 4.31 1.04 -1.26 -4.82 113.70 118.81 3djp s SER 3 Ca 0.75 1.87 0.00 0.00 0.48 0.00 0.00 55.95 59.05 3djp s SER 3 Cb -0.85 -2.53 0.51 0.00 0.10 0.00 0.00 66.02 63.25 3djp s SER 3 CO 0.50 -1.44 1.93 0.00 0.98 0.00 0.00 173.24 175.21 3djp h ALA 4 N 0.04 1.49 -0.41 5.32 0.00 -1.99 0.71 119.26 124.42 3djp h ALA 4 Ca -0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3djp h ALA 4 Cb 1.23 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3djp h ALA 4 CO 0.56 0.40 0.23 0.00 0.00 0.00 0.00 179.25 180.43 3djp h ALA 5 N 1.51 0.53 -0.57 0.00 0.00 -1.99 -0.03 119.26 118.71 3djp h ALA 5 Ca 0.36 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3djp h ALA 5 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3djp h ALA 5 CO -0.12 0.05 0.03 0.00 0.00 0.00 0.00 179.25 179.22 3djp h ALA 6 N 1.08 0.76 -0.60 0.00 0.00 -1.80 -1.70 119.26 117.01 3djp h ALA 6 Ca 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3djp h ALA 6 Cb 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3djp h ALA 6 CO -0.02 0.56 0.35 -0.22 0.00 0.00 0.00 179.25 179.91 3djp h LYS 7 N 0.87 0.82 -0.67 0.00 3.64 -0.68 -0.48 116.57 120.08 3djp h LYS 7 Ca 0.16 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3djp h LYS 7 Cb 0.50 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3djp h LYS 7 CO 0.02 0.61 0.44 0.35 -2.27 0.00 0.00 179.45 178.60 3djp h PHE 8 N 0.81 0.84 -0.58 1.91 3.04 -0.70 0.29 116.94 122.55 3djp h PHE 8 Ca 0.21 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.12 3djp h PHE 8 Cb 0.01 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.21 3djp h PHE 8 CO -0.02 0.53 0.10 0.93 -2.02 0.00 0.00 178.31 177.84 3djp h GLU 9 N 0.91 0.96 -0.35 1.11 5.08 -0.91 0.58 114.58 121.95 3djp h GLU 9 Ca 0.24 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3djp h GLU 9 Cb -0.10 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 3djp h GLU 9 CO -0.05 0.91 0.18 -0.09 -1.00 0.00 0.00 179.01 178.96 3djp h ARG 10 N 0.86 0.50 0.00 2.33 2.43 -0.80 -2.19 114.38 117.51 3djp h ARG 10 Ca 0.18 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 59.09 3djp h ARG 10 Cb 0.40 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3djp h ARG 10 CO 0.01 0.43 -0.93 1.96 -1.51 0.00 0.00 179.97 179.93 3djp h GLN 11 N 0.44 0.00 0.00 0.20 4.20 -0.79 -3.41 115.11 115.75 3djp h GLN 11 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3djp h GLN 11 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3djp h GLN 11 CO -0.02 0.93 0.00 0.72 -0.67 0.00 0.00 178.83 179.79 3djp n HIS 12 N -3.42 0.00 -4.01 2.96 8.25 0.18 -5.04 115.22 114.14 3djp n HIS 12 Ca -0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 3djp n HIS 12 Cb 0.88 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.88 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 -0.39 3.80 -0.40 -0.41 -1.94 -0.83 -5.01 119.30 114.12 3djp s MET 13 Ca 0.00 -0.43 0.07 0.00 -1.71 0.00 0.00 55.69 53.62 3djp s MET 13 Cb 0.00 -3.19 0.22 0.00 2.01 0.00 0.00 34.83 33.87 3djp s MET 13 CO 0.00 0.11 0.47 -3.47 -0.01 0.00 0.00 175.02 172.12 3djp n ASP 14 N 4.01 -0.09 0.12 3.03 2.03 -1.26 -4.84 116.55 119.55 3djp n ASP 14 Ca -0.17 -2.60 -0.13 0.00 0.52 0.00 0.00 54.79 52.41 3djp n ASP 14 Cb 0.52 -0.58 -0.08 0.00 -0.72 0.00 0.00 41.12 40.26 3djp n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3djp h SER 15 N 4.51 -0.22 0.00 1.67 0.02 -1.98 -3.24 113.55 114.31 3djp h SER 15 Ca 0.13 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3djp h SER 15 Cb 0.89 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.49 3djp h SER 15 CO 0.43 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.73 3djp n GLY 16 N -0.71 1.92 3.62 -3.77 0.00 -1.26 -4.95 105.19 100.03 3djp n GLY 16 Ca -0.09 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 3djp n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3djp s ASN 17 N -4.00 -0.11 0.14 1.61 0.01 -1.22 -5.18 114.94 106.19 3djp s ASN 17 Ca 0.00 -0.89 0.06 0.00 -0.71 0.00 0.00 52.86 51.32 3djp s ASN 17 Cb 0.00 0.61 -0.04 0.00 0.41 0.00 0.00 41.25 42.23 3djp s ASN 17 CO 0.00 -1.17 -0.14 -0.94 -1.51 0.00 0.00 177.10 173.34 3djp s SER 18 N -3.01 2.14 0.59 -1.22 1.04 -1.26 -4.97 113.70 107.01 3djp s SER 18 Ca 0.21 -0.87 0.30 0.00 0.48 0.00 0.00 55.95 56.07 3djp s SER 18 Cb -0.01 -0.08 1.82 0.00 0.10 0.00 0.00 66.02 67.84 3djp s SER 18 CO 0.09 -0.15 2.24 -0.65 0.98 0.00 0.00 173.24 175.75 3djp h PRO 19 N 3.28 0.00 0.00 4.02 0.11 -2.02 -2.68 132.00 134.71 3djp h PRO 19 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3djp h PRO 19 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3djp h PRO 19 CO 0.53 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.19 3djp n SER 20 N -3.83 0.00 -4.77 -2.05 3.41 -1.26 -4.79 113.62 100.33 3djp n SER 20 Ca -0.03 -0.50 -0.37 0.00 -0.26 0.00 0.00 58.87 57.71 3djp n SER 20 Cb 0.11 -0.16 -0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3djp n SER 20 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3djp s SER 21 N -2.33 6.01 -0.02 4.04 0.15 -1.01 -4.93 113.70 115.60 3djp s SER 21 Ca 0.37 2.33 0.21 0.00 0.70 0.00 0.00 55.95 59.55 3djp s SER 21 Cb 0.21 -2.60 -0.31 0.00 -1.71 0.00 0.00 66.02 61.61 3djp s SER 21 CO 0.42 -1.03 0.50 -1.20 1.20 0.00 0.00 173.24 173.13 3djp n SER 22 N -0.67 0.39 -0.27 5.45 7.64 -1.26 -4.61 113.62 120.28 3djp n SER 22 Ca 0.08 -0.12 0.12 0.00 1.01 0.00 0.00 58.87 59.97 3djp n SER 22 Cb 0.48 1.82 0.29 0.00 -1.01 0.00 0.00 64.21 65.80 3djp n SER 22 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3djp n SER 23 N -2.12 1.17 -0.38 6.43 3.41 -1.26 -3.58 113.62 117.29 3djp n SER 23 Ca -0.03 -0.96 0.14 0.00 -0.26 0.00 0.00 58.87 57.76 3djp n SER 23 Cb 0.51 0.22 0.50 0.00 -0.26 0.00 0.00 64.21 65.17 3djp n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3djp n ASN 24 N -0.61 1.27 -0.04 4.04 5.15 -1.26 -4.38 115.26 119.43 3djp n ASN 24 Ca 0.11 -1.26 -0.09 0.00 -0.60 0.00 0.00 54.58 52.74 3djp n ASN 24 Cb 0.37 0.04 -0.02 0.00 -0.53 0.00 0.00 39.78 39.63 3djp n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3djp h TYR 25 N 1.87 -0.67 -0.76 1.20 3.20 -1.88 -2.07 116.97 117.86 3djp h TYR 25 Ca 0.00 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 3djp h TYR 25 Cb 0.48 0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 3djp h TYR 25 CO 0.00 -0.33 0.27 0.00 -1.64 0.00 0.00 178.16 176.46 3djp h ASN 27 N 1.12 0.34 0.08 0.00 2.35 -1.66 0.06 115.58 117.87 3djp h ASN 27 Ca 0.25 0.06 -0.27 0.00 -0.55 0.00 0.00 56.30 55.79 3djp h ASN 27 Cb 0.26 0.01 0.03 0.00 0.05 0.00 0.00 38.32 38.67 3djp h ASN 27 CO -0.01 0.20 -1.11 -0.07 -1.65 0.00 0.00 177.43 174.79 3djp h LEU 28 N 0.50 0.84 -0.34 1.61 3.38 -0.97 -3.15 115.31 117.18 3djp h LEU 28 Ca 0.32 -0.80 -0.18 0.00 0.09 0.00 0.00 57.88 57.30 3djp h LEU 28 Cb 0.35 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3djp h LEU 28 CO -0.27 1.55 -0.56 0.24 0.09 0.00 0.00 178.44 179.49 3djp h MET 29 N 0.23 0.81 -0.67 1.13 2.86 -0.53 0.26 114.93 119.02 3djp h MET 29 Ca -0.16 -0.52 -0.03 0.00 -2.06 0.00 0.00 59.70 56.93 3djp h MET 29 Cb 1.79 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 33.48 3djp h MET 29 CO 0.21 1.14 0.31 0.52 1.06 0.00 0.00 176.91 180.16 3djp h MET 30 N 0.62 0.97 0.06 1.72 2.86 -1.12 0.25 114.93 120.28 3djp h MET 30 Ca 0.01 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3djp h MET 30 Cb 1.15 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.64 3djp h MET 30 CO 0.12 0.76 -0.03 0.00 1.06 0.00 0.00 176.91 178.82 3djp n ARG 33 N -4.97 2.92 -3.25 0.00 5.12 0.05 -4.91 116.66 111.62 3djp n ARG 33 Ca 0.11 -1.90 -0.18 0.00 -1.93 0.00 0.00 57.85 53.95 3djp n ARG 33 Cb 0.32 -1.73 0.06 0.00 -1.16 0.00 0.00 32.46 29.95 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 0.61 -5.73 -0.44 5.56 5.02 -0.86 -4.91 118.16 117.41 3djp n LYS 34 Ca 0.17 0.66 0.08 0.00 -2.02 0.00 0.00 58.31 57.20 3djp n LYS 34 Cb 0.67 -5.13 0.27 0.00 -0.02 0.00 0.00 35.03 30.82 3djp n LYS 34 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3djp n MET 35 N -3.86 3.27 -0.04 1.97 2.81 -0.29 -4.41 117.12 116.58 3djp n MET 35 Ca -0.01 -2.63 0.04 0.00 -1.81 0.00 0.00 57.70 53.28 3djp n MET 35 Cb 0.56 -1.70 0.05 0.00 -0.71 0.00 0.00 33.22 31.42 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 0.44 1.30 -3.64 2.03 -2.24 -1.24 -1.86 114.28 109.08 3djp n THR 36 Ca 0.20 -1.45 -0.37 0.00 -2.27 0.00 0.00 64.05 60.17 3djp n THR 36 Cb 0.76 0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.68 3.94 0.00 -0.78 -0.21 -1.26 -4.34 119.66 115.33 3djp s GLN 37 Ca 0.13 0.08 0.00 0.00 0.02 0.00 0.00 55.36 55.59 3djp s GLN 37 Cb 0.11 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.81 3djp s GLN 37 CO 0.01 0.51 0.00 0.41 -2.12 0.00 0.00 175.29 174.10 3djp n GLY 38 N 2.62 1.63 3.74 3.09 0.00 -1.26 -4.81 105.19 110.20 3djp n GLY 38 Ca -0.15 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 1.67 -0.22 1.61 -2.85 -1.26 -5.06 119.74 113.63 3djp s LYS 39 Ca 0.00 -1.07 -0.25 0.00 -1.00 0.00 0.00 55.97 53.65 3djp s LYS 39 Cb 0.00 0.55 -0.01 0.00 -2.06 0.00 0.00 37.83 36.32 3djp s LYS 39 CO 0.00 -0.74 0.86 0.00 0.10 0.00 0.00 175.35 175.57 3djp s LYS 41 N 2.70 4.16 0.25 0.00 2.20 -0.78 -4.89 119.74 123.39 3djp s LYS 41 Ca 0.37 2.47 -0.01 0.00 -0.36 0.00 0.00 55.97 58.44 3djp s LYS 41 Cb -0.16 -3.79 0.31 0.00 -1.51 0.00 0.00 37.83 32.69 3djp s LYS 41 CO 0.09 -0.84 1.69 -1.00 -0.36 0.00 0.00 175.35 174.93 3djp h PRO 42 N 9.14 0.64 -3.42 4.03 0.13 -1.93 -3.43 132.00 137.15 3djp h PRO 42 Ca -0.45 -0.24 -0.28 0.00 -0.87 0.00 0.00 66.00 64.16 3djp h PRO 42 Cb 1.21 -0.04 -0.33 0.00 0.13 0.00 0.00 31.00 31.97 3djp h PRO 42 CO 0.94 0.80 -0.68 0.08 -0.23 0.00 0.00 178.00 178.91 3djp s VAL 43 N -4.61 -0.06 -0.15 1.56 1.01 -1.26 -0.67 120.40 116.23 3djp s VAL 43 Ca -0.08 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 3djp s VAL 43 Cb 0.14 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.42 3djp s VAL 43 CO 0.81 0.09 0.42 0.21 0.00 0.00 0.00 175.10 176.63 3djp s ASN 44 N 1.13 -0.43 -0.10 3.32 2.47 -0.32 -5.01 114.94 115.99 3djp s ASN 44 Ca -0.09 0.82 0.01 0.00 0.42 0.00 0.00 52.86 54.02 3djp s ASN 44 Cb -0.12 0.84 -0.02 0.00 -1.45 0.00 0.00 41.25 40.50 3djp s ASN 44 CO -0.04 -0.17 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.14 3djp s THR 45 N 0.13 2.96 -0.09 -5.21 2.01 -1.26 -0.19 115.64 113.98 3djp s THR 45 Ca -0.01 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 3djp s THR 45 Cb -0.03 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 3djp s THR 45 CO 0.01 0.55 0.01 -0.36 -0.69 0.00 0.00 174.62 174.14 3djp s PHE 46 N 0.03 3.18 -0.12 4.92 0.08 -0.12 -4.95 117.98 121.00 3djp s PHE 46 Ca -0.05 0.20 -0.03 0.00 0.12 0.00 0.00 56.93 57.17 3djp s PHE 46 Cb -0.14 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 3djp s PHE 46 CO 0.04 0.47 -0.02 0.08 -0.10 0.00 0.00 175.22 175.69 3djp s VAL 47 N -0.84 4.06 -1.67 -0.44 1.01 -1.26 0.06 120.40 121.33 3djp s VAL 47 Ca 0.13 -0.32 0.14 0.00 0.00 0.00 0.00 61.98 61.93 3djp s VAL 47 Cb -0.11 -2.74 0.08 0.00 0.00 0.00 0.00 36.38 33.60 3djp s VAL 47 CO 0.02 0.54 0.91 1.41 0.00 0.00 0.00 175.10 177.98 3djp n HIS 48 N 2.92 0.00 -1.20 5.22 -0.00 0.23 -4.95 115.22 117.43 3djp n HIS 48 Ca -0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.25 3djp n HIS 48 Cb 0.53 0.00 0.16 0.00 -0.00 0.00 0.00 29.99 30.68 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 -1.34 0.70 0.74 -0.41 0.41 -1.25 -4.99 118.70 112.56 3djp s GLU 49 Ca 0.15 0.59 -0.15 0.00 -0.41 0.00 0.00 54.97 55.15 3djp s GLU 49 Cb 0.12 -1.76 0.04 0.00 -1.78 0.00 0.00 34.13 30.75 3djp s GLU 49 CO 0.22 -2.56 1.19 -1.54 -0.49 0.00 0.00 175.26 172.09 3djp s SER 50 N -3.48 4.20 0.29 -0.19 1.04 -1.26 -4.86 113.70 109.43 3djp s SER 50 Ca 0.65 2.31 -0.01 0.00 0.48 0.00 0.00 55.95 59.37 3djp s SER 50 Cb -0.18 -2.58 0.45 0.00 0.10 0.00 0.00 66.02 63.81 3djp s SER 50 CO 0.57 -2.26 1.92 0.25 0.98 0.00 0.00 173.24 174.70 3djp h LEU 51 N -0.38 0.97 -0.50 2.42 5.85 -1.96 -1.91 115.31 119.79 3djp h LEU 51 Ca -0.47 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3djp h LEU 51 Cb 1.29 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3djp h LEU 51 CO 0.50 0.65 0.33 0.00 -0.34 0.00 0.00 178.44 179.58 3djp h ALA 52 N 1.48 0.64 -0.82 1.25 0.00 -1.99 0.64 119.26 120.46 3djp h ALA 52 Ca 0.37 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.26 3djp h ALA 52 Cb 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3djp h ALA 52 CO -0.12 0.09 0.54 -0.44 0.00 0.00 0.00 179.25 179.31 3djp h ASP 53 N 0.68 0.93 -0.29 0.00 5.19 -1.80 -0.40 116.42 120.73 3djp h ASP 53 Ca 0.18 -0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.46 3djp h ASP 53 Cb -0.08 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.20 3djp h ASP 53 CO -0.04 0.66 -0.26 0.58 -3.12 0.00 0.00 179.24 177.07 3djp h VAL 54 N 1.09 1.30 -0.66 -1.35 2.07 -0.98 -2.86 116.25 114.86 3djp h VAL 54 Ca 0.31 -1.41 0.03 0.00 0.82 0.00 0.00 66.70 66.44 3djp h VAL 54 Cb -0.10 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3djp h VAL 54 CO -0.08 0.45 0.44 0.11 0.02 0.00 0.00 177.57 178.51 3djp h LYS 55 N 0.42 0.79 0.00 1.57 1.57 -0.65 -2.24 116.57 118.03 3djp h LYS 55 Ca 0.05 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3djp h LYS 55 Cb 0.82 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3djp h LYS 55 CO 0.07 0.52 -0.00 0.00 -0.57 0.00 0.00 179.45 179.47 3djp h ALA 56 N 1.61 1.37 0.00 3.86 0.00 -0.84 -2.00 119.26 123.27 3djp h ALA 56 Ca 0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3djp h ALA 56 Cb 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3djp h ALA 56 CO -0.07 0.00 -0.00 0.28 0.00 0.00 0.00 179.25 179.46 3djp h VAL 57 N 0.00 0.87 0.00 0.00 2.07 -1.38 -1.15 116.25 116.66 3djp h VAL 57 Ca -0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3djp h VAL 57 Cb 0.00 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3djp h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3djp n SER 59 N -2.14 3.46 0.00 0.00 3.41 -0.44 -5.00 113.62 112.91 3djp n SER 59 Ca 0.01 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 3djp n SER 59 Cb 0.16 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 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 0.53 3.32 -2.31 4.33 6.02 -0.13 -5.02 117.38 124.13 3djp n GLN 60 Ca 0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 3djp n GLN 60 Cb 0.59 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.83 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 4.54 3.97 0.08 -1.09 2.20 -1.09 -4.83 119.74 123.51 3djp s LYS 61 Ca 0.00 1.52 -0.31 0.00 -0.36 0.00 0.00 55.97 56.82 3djp s LYS 61 Cb 0.00 -3.91 -0.09 0.00 -1.51 0.00 0.00 37.83 32.33 3djp s LYS 61 CO 0.00 -1.06 1.68 0.15 -0.36 0.00 0.00 175.35 175.76 3djp s LYS 62 N 4.16 4.19 0.18 4.03 -0.14 -1.26 0.11 119.74 131.00 3djp s LYS 62 Ca 0.61 2.37 0.00 0.00 -1.36 0.00 0.00 55.97 57.60 3djp s LYS 62 Cb -0.21 -3.61 -0.04 0.00 -1.68 0.00 0.00 37.83 32.29 3djp s LYS 62 CO 0.23 -0.75 0.06 0.14 -0.76 0.00 0.00 175.35 174.27 3djp s VAL 63 N 2.68 0.35 0.17 3.17 -7.23 -0.70 -4.89 120.40 113.95 3djp s VAL 63 Ca 0.75 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.65 3djp s VAL 63 Cb -0.41 -2.24 -0.08 0.00 0.56 0.00 0.00 36.38 34.20 3djp s VAL 63 CO 0.33 -0.31 1.34 0.42 -0.31 0.00 0.00 175.10 176.57 3djp s THR 64 N -3.89 3.22 0.36 5.32 -4.23 -1.26 -4.06 115.64 111.10 3djp s THR 64 Ca 0.29 0.96 -0.25 0.00 -1.18 0.00 0.00 61.69 61.51 3djp s THR 64 Cb 0.07 -3.61 -0.10 0.00 1.34 0.00 0.00 72.50 70.20 3djp s THR 64 CO 0.06 0.12 0.97 0.00 -0.54 0.00 0.00 174.62 175.23 3djp h LYS 66 N 2.80 0.28 -0.32 0.00 1.57 -1.89 -0.93 116.57 118.07 3djp h LYS 66 Ca -0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3djp h LYS 66 Cb 1.19 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3djp h LYS 66 CO 0.64 0.18 0.00 0.27 -0.57 0.00 0.00 179.45 179.97 3djp n ASN 67 N -4.48 1.85 0.00 0.86 6.94 -1.26 -4.93 115.26 114.24 3djp n ASN 67 Ca 0.05 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 3djp n ASN 67 Cb 0.25 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 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 1.08 1.76 3.67 4.83 0.00 -0.35 -5.03 105.19 111.14 3djp n GLY 68 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.06 0.62 -0.25 1.61 -0.21 -1.26 -4.86 119.66 115.25 3djp s GLN 69 Ca 0.00 0.71 0.09 0.00 0.02 0.00 0.00 55.36 56.18 3djp s GLN 69 Cb 0.00 -1.74 0.44 0.00 1.00 0.00 0.00 33.01 32.71 3djp s GLN 69 CO 0.00 -2.65 1.22 0.25 -2.12 0.00 0.00 175.29 171.99 3djp n THR 70 N -4.15 2.36 -1.53 -0.19 -2.24 -1.26 -3.24 114.28 104.03 3djp n THR 70 Ca 0.06 -3.63 0.07 0.00 -2.27 0.00 0.00 64.05 58.27 3djp n THR 70 Cb 0.56 -0.61 0.17 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.95 1.78 -4.91 3.42 6.94 -1.26 -5.03 115.26 115.24 3djp n ASN 71 Ca 0.30 -3.48 -0.31 0.00 -0.02 0.00 0.00 54.58 51.07 3djp n ASN 71 Cb 0.81 -0.47 -0.04 0.00 -2.36 0.00 0.00 39.78 37.72 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 -1.47 -0.07 -0.12 0.00 1.51 0.14 -1.71 117.35 115.64 3djp s TYR 73 Ca 0.33 0.17 -0.05 0.00 -1.01 0.00 0.00 57.07 56.51 3djp s TYR 73 Cb -0.13 0.01 -0.04 0.00 -0.11 0.00 0.00 41.96 41.70 3djp s TYR 73 CO 0.26 -0.04 0.05 -1.14 -1.11 0.00 0.00 175.55 173.57 3djp s GLN 74 N 0.08 3.36 0.43 -0.62 0.74 0.12 -1.29 119.66 122.47 3djp s GLN 74 Ca -0.00 -0.32 -0.25 0.00 0.05 0.00 0.00 55.36 54.84 3djp s GLN 74 Cb -0.01 -3.00 -0.08 0.00 1.10 0.00 0.00 33.01 31.02 3djp s GLN 74 CO -0.00 0.61 1.28 -1.54 -0.55 0.00 0.00 175.29 175.10 3djp s SER 75 N -0.60 6.20 0.37 6.67 1.04 0.08 -2.68 113.70 124.78 3djp s SER 75 Ca 0.11 2.61 0.15 0.00 0.48 0.00 0.00 55.95 59.30 3djp s SER 75 Cb -0.12 -2.63 0.73 0.00 0.10 0.00 0.00 66.02 64.10 3djp s SER 75 CO 0.02 -0.92 1.80 0.07 0.98 0.00 0.00 173.24 175.19 3djp h LYS 76 N 2.48 0.00 -5.76 4.02 5.09 -1.94 -3.44 116.57 117.01 3djp h LYS 76 Ca -0.50 0.00 -0.54 0.00 0.09 0.00 0.00 60.65 59.71 3djp h LYS 76 Cb 1.25 0.00 -0.14 0.00 0.10 0.00 0.00 32.23 33.44 3djp h LYS 76 CO 0.62 0.38 -0.71 -1.12 -2.09 0.00 0.00 179.45 176.54 3djp s SER 77 N -6.74 3.11 0.68 7.07 0.01 -1.26 -5.10 113.70 111.47 3djp s SER 77 Ca -0.02 -1.12 -0.16 0.00 1.31 0.00 0.00 55.95 55.96 3djp s SER 77 Cb 0.13 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.15 3djp s SER 77 CO 0.71 -0.20 1.20 0.42 0.41 0.00 0.00 173.24 175.79 3djp s THR 78 N -2.81 2.46 0.10 1.44 -4.23 -1.26 -4.47 115.64 106.87 3djp s THR 78 Ca 0.29 0.25 0.07 0.00 -1.18 0.00 0.00 61.69 61.11 3djp s THR 78 Cb 0.01 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 3djp s THR 78 CO 0.12 -0.11 -0.17 -0.04 -0.54 0.00 0.00 174.62 173.89 3djp s MET 79 N -3.75 1.02 -0.32 3.99 -1.94 0.40 -4.88 119.30 113.82 3djp s MET 79 Ca 0.75 -1.14 -0.29 0.00 -1.71 0.00 0.00 55.69 53.30 3djp s MET 79 Cb -0.29 -1.11 0.00 0.00 2.01 0.00 0.00 34.83 35.44 3djp s MET 79 CO 0.41 0.24 1.31 1.03 -0.01 0.00 0.00 175.02 178.01 3djp s ARG 80 N -2.09 3.87 0.18 2.03 0.52 -1.26 -2.44 118.95 119.75 3djp s ARG 80 Ca 0.05 1.19 0.02 0.00 -0.52 0.00 0.00 55.73 56.47 3djp s ARG 80 Cb -0.09 -3.90 -0.05 0.00 0.52 0.00 0.00 34.95 31.44 3djp s ARG 80 CO 0.04 -1.18 -0.01 0.96 0.02 0.00 0.00 175.30 175.13 3djp s ILE 81 N 4.49 0.75 -0.11 1.52 -4.36 -0.42 -0.60 121.20 122.47 3djp s ILE 81 Ca 0.56 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.98 3djp s ILE 81 Cb -0.16 -2.12 0.02 0.00 1.25 0.00 0.00 42.46 41.45 3djp s ILE 81 CO 0.24 -0.48 -0.13 -0.89 0.24 0.00 0.00 174.94 173.92 3djp s THR 82 N -3.61 1.34 -0.10 8.37 2.01 0.11 -1.28 115.64 122.48 3djp s THR 82 Ca 0.24 -0.53 -0.19 0.00 0.31 0.00 0.00 61.69 61.52 3djp s THR 82 Cb 0.06 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 3djp s THR 82 CO 0.04 0.41 0.50 -1.81 -0.69 0.00 0.00 174.62 173.08 3djp s ASP 83 N 1.15 6.75 -0.25 3.53 1.01 -0.09 -0.95 116.67 127.82 3djp s ASP 83 Ca -0.04 0.89 -0.04 0.00 0.71 0.00 0.00 52.55 54.07 3djp s ASP 83 Cb -0.14 -2.30 0.01 0.00 1.01 0.00 0.00 42.92 41.49 3djp s ASP 83 CO -0.03 0.02 -0.02 0.00 0.21 0.00 0.00 175.17 175.35 3djp s ARG 85 N 1.44 2.03 0.22 0.00 0.52 -0.76 -1.18 118.95 121.21 3djp s ARG 85 Ca 0.03 -0.49 -0.32 0.00 -0.52 0.00 0.00 55.73 54.44 3djp s ARG 85 Cb -0.16 -1.78 -0.12 0.00 0.52 0.00 0.00 34.95 33.41 3djp s ARG 85 CO -0.02 -0.10 1.70 -1.91 0.02 0.00 0.00 175.30 174.99 3djp n GLU 86 N 4.31 2.72 -1.79 3.54 2.13 0.15 -0.43 120.64 131.27 3djp n GLU 86 Ca -0.18 0.98 -0.30 0.00 0.66 0.00 0.00 57.16 58.31 3djp n GLU 86 Cb 0.51 -2.81 0.05 0.00 0.27 0.00 0.00 31.44 29.46 3djp n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3djp s THR 87 N 1.00 3.69 0.38 6.31 -4.23 -0.76 -4.85 115.64 117.18 3djp s THR 87 Ca 0.74 0.55 0.18 0.00 -1.18 0.00 0.00 61.69 61.97 3djp s THR 87 Cb -0.52 -3.48 0.17 0.00 1.34 0.00 0.00 72.50 70.02 3djp s THR 87 CO 0.35 -0.72 1.92 1.23 -0.54 0.00 0.00 174.62 176.86 3djp h GLY 88 N -0.68 0.00 1.95 3.99 0.00 -1.94 -2.48 103.07 103.91 3djp h GLY 88 Ca -0.45 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.74 3djp h GLY 88 CO 0.62 0.00 -0.66 1.76 0.00 0.00 0.00 176.54 178.26 3djp h SER 89 N 0.00 0.06 -2.14 0.19 0.02 -1.95 -3.46 113.55 106.27 3djp h SER 89 Ca -0.00 -0.04 -0.60 0.00 -0.84 0.00 0.00 61.79 60.30 3djp h SER 89 Cb 0.51 -0.02 0.05 0.00 0.14 0.00 0.00 62.40 63.09 3djp h SER 89 CO 0.03 0.70 0.75 -0.24 -1.14 0.00 0.00 176.83 176.94 3djp n SER 90 N -3.77 2.84 -3.72 3.07 2.88 -0.94 -4.99 113.62 108.99 3djp n SER 90 Ca -0.01 1.08 -0.19 0.00 -1.33 0.00 0.00 58.87 58.42 3djp n SER 90 Cb 0.65 -1.38 -0.17 0.00 -0.75 0.00 0.00 64.21 62.56 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 1.04 0.01 0.31 -1.46 2.36 -1.20 -4.90 119.74 115.90 3djp s LYS 91 Ca 0.81 0.28 -0.29 0.00 -2.55 0.00 0.00 55.97 54.22 3djp s LYS 91 Cb -0.73 -0.47 -0.13 0.00 -1.05 0.00 0.00 37.83 35.45 3djp s LYS 91 CO 0.41 -0.26 1.34 0.98 1.55 0.00 0.00 175.35 179.36 3djp n TYR 92 N 4.87 2.29 1.66 4.03 9.36 -1.26 -0.57 117.16 137.53 3djp n TYR 92 Ca -0.13 0.51 0.15 0.00 3.32 0.00 0.00 57.90 61.75 3djp n TYR 92 Cb 0.50 -2.44 0.66 0.00 -0.63 0.00 0.00 39.34 37.43 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 1.01 1.45 -2.19 2.98 -0.04 -1.26 -4.98 135.00 131.97 3djp n PRO 93 Ca 0.07 -0.65 -0.43 0.00 -0.04 0.00 0.00 63.50 62.45 3djp n PRO 93 Cb 0.35 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.20 4.60 -4.61 3.54 4.13 0.26 -4.95 115.26 118.04 3djp n ASN 94 Ca 0.21 -2.97 -0.43 0.00 1.68 0.00 0.00 54.58 53.07 3djp n ASN 94 Cb 0.28 -1.59 -0.02 0.00 -1.54 0.00 0.00 39.78 36.90 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 5.74 3.32 0.07 0.00 0.00 -1.26 -4.87 121.76 124.75 3djp s ALA 96 Ca 0.68 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.91 3djp s ALA 96 Cb -0.18 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 3djp s ALA 96 CO 0.32 0.50 -0.16 0.71 0.00 0.00 0.00 175.76 177.13 3djp s TYR 97 N -0.62 1.40 0.01 0.00 2.02 -1.26 -1.83 117.35 117.07 3djp s TYR 97 Ca 0.10 -0.42 -0.17 0.00 -0.37 0.00 0.00 57.07 56.21 3djp s TYR 97 Cb -0.12 -0.80 -0.06 0.00 -0.40 0.00 0.00 41.96 40.59 3djp s TYR 97 CO 0.02 0.09 0.49 0.21 -1.57 0.00 0.00 175.55 174.80 3djp s LYS 98 N -1.58 4.12 -0.22 -0.62 2.20 0.43 -4.66 119.74 119.41 3djp s LYS 98 Ca 0.02 0.57 -0.08 0.00 -0.36 0.00 0.00 55.97 56.12 3djp s LYS 98 Cb -0.09 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 3djp s LYS 98 CO 0.02 0.57 0.08 0.99 -0.36 0.00 0.00 175.35 176.65 3djp s THR 99 N -0.78 4.65 -0.17 3.43 2.01 -1.26 -1.83 115.64 121.70 3djp s THR 99 Ca 0.27 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.20 3djp s THR 99 Cb -0.18 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.23 3djp s THR 99 CO 0.15 0.39 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.47 3djp s THR 100 N 1.04 1.49 -0.15 -0.82 2.01 -0.53 -4.99 115.64 113.69 3djp s THR 100 Ca 0.04 -0.74 -0.24 0.00 0.31 0.00 0.00 61.69 61.06 3djp s THR 100 Cb -0.14 -1.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 3djp s THR 100 CO 0.03 0.30 0.79 -1.10 -0.69 0.00 0.00 174.62 173.95 3djp s GLN 101 N 1.49 4.31 0.07 4.92 -0.21 -1.26 -0.91 119.66 128.07 3djp s GLN 101 Ca 0.02 0.95 0.03 0.00 0.02 0.00 0.00 55.36 56.38 3djp s GLN 101 Cb -0.14 -3.55 -0.03 0.00 1.00 0.00 0.00 33.01 30.28 3djp s GLN 101 CO -0.09 -0.25 -0.09 0.14 -2.12 0.00 0.00 175.29 172.88 3djp s VAL 102 N 1.88 0.74 -0.33 1.09 -7.23 -0.40 -5.00 120.40 111.15 3djp s VAL 102 Ca 0.37 -1.42 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 3djp s VAL 102 Cb -0.17 -1.07 0.10 0.00 0.56 0.00 0.00 36.38 35.81 3djp s VAL 102 CO 0.13 -0.51 0.07 -1.61 -0.31 0.00 0.00 175.10 172.88 3djp s GLU 103 N -2.36 1.14 0.11 4.82 2.02 -1.26 -1.30 118.70 121.88 3djp s GLU 103 Ca -0.01 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.46 3djp s GLU 103 Cb -0.05 -2.66 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 3djp s GLU 103 CO -0.00 -0.96 -0.01 0.15 0.02 0.00 0.00 175.26 174.45 3djp s LYS 104 N 1.21 0.86 0.33 1.61 1.02 -1.02 -4.80 119.74 118.94 3djp s LYS 104 Ca 0.11 -1.38 -0.28 0.00 0.02 0.00 0.00 55.97 54.44 3djp s LYS 104 Cb -0.18 -0.02 -0.10 0.00 -0.52 0.00 0.00 37.83 37.01 3djp s LYS 104 CO -0.16 -0.12 1.26 -1.01 -0.92 0.00 0.00 175.35 174.40 3djp s HIS 105 N -3.80 3.13 0.13 3.18 3.76 -0.72 -0.45 115.29 120.51 3djp s HIS 105 Ca 0.16 1.48 0.04 0.00 -0.15 0.00 0.00 55.06 56.58 3djp s HIS 105 Cb 0.07 -3.59 -0.04 0.00 1.11 0.00 0.00 32.58 30.13 3djp s HIS 105 CO -0.03 -1.60 0.14 0.96 -0.85 0.00 0.00 174.74 173.36 3djp s ILE 106 N -1.17 4.67 -0.14 0.60 -4.36 -1.26 -0.99 121.20 118.55 3djp s ILE 106 Ca 0.49 -0.87 0.02 0.00 -0.26 0.00 0.00 60.65 60.02 3djp s ILE 106 Cb -0.38 -3.34 0.01 0.00 1.25 0.00 0.00 42.46 40.01 3djp s ILE 106 CO 0.50 -0.01 -0.19 -0.63 0.24 0.00 0.00 174.94 174.85 3djp s ILE 107 N -1.61 1.87 0.16 8.37 1.01 0.93 -0.74 121.20 131.19 3djp s ILE 107 Ca 0.31 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 60.20 3djp s ILE 107 Cb -0.11 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3djp s ILE 107 CO 0.24 0.51 -0.20 0.68 0.00 0.00 0.00 174.94 176.17 3djp s VAL 108 N 1.04 1.93 0.06 2.92 -7.23 -0.41 -0.49 120.40 118.22 3djp s VAL 108 Ca -0.03 -1.89 -0.19 0.00 -1.81 0.00 0.00 61.98 58.06 3djp s VAL 108 Cb -0.15 -1.87 -0.07 0.00 0.56 0.00 0.00 36.38 34.86 3djp s VAL 108 CO -0.05 -0.23 0.56 0.00 -0.31 0.00 0.00 175.10 175.07 3djp s ALA 109 N -1.83 3.59 0.11 1.32 0.00 0.38 -0.68 121.76 124.66 3djp s ALA 109 Ca 0.16 0.01 0.09 0.00 0.00 0.00 0.00 51.96 52.22 3djp s ALA 109 Cb -0.07 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 3djp s ALA 109 CO 0.07 0.39 -0.20 0.00 0.00 0.00 0.00 175.76 176.03 3djp s GLY 111 N -2.00 0.00 0.00 0.00 0.00 -0.32 -4.87 107.32 100.13 3djp s GLY 111 Ca 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.59 3djp s GLY 111 CO 0.09 0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.97 3djp n GLY 112 N -0.51 -1.20 2.67 0.20 0.00 -1.26 -1.39 105.19 103.70 3djp n GLY 112 Ca -0.05 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.43 0.46 0.72 1.61 -0.14 -1.26 -2.46 119.74 117.24 3djp s LYS 113 Ca 0.00 -0.48 -0.14 0.00 -1.36 0.00 0.00 55.97 53.99 3djp s LYS 113 Cb 0.00 -1.86 0.03 0.00 -1.68 0.00 0.00 37.83 34.32 3djp s LYS 113 CO 0.00 -0.78 1.12 -1.25 -0.76 0.00 0.00 175.35 173.69 3djp s PRO 114 N 1.92 2.43 -0.15 -1.68 0.04 -1.26 -5.09 135.00 131.20 3djp s PRO 114 Ca 0.03 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.19 3djp s PRO 114 Cb -0.17 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 3djp s PRO 114 CO -0.16 -1.55 1.47 0.45 0.04 0.00 0.00 177.00 177.25 3djp s SER 115 N -2.69 6.72 0.22 6.66 0.15 -1.03 -4.88 113.70 118.85 3djp s SER 115 Ca 0.67 1.83 0.05 0.00 0.70 0.00 0.00 55.95 59.19 3djp s SER 115 Cb -0.21 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.51 3djp s SER 115 CO 0.47 -0.94 -0.05 0.68 1.20 0.00 0.00 173.24 174.60 3djp s VAL 116 N 4.07 1.24 0.24 4.45 -7.23 -0.49 -4.83 120.40 117.86 3djp s VAL 116 Ca 0.64 -2.07 -0.31 0.00 -1.81 0.00 0.00 61.98 58.43 3djp s VAL 116 Cb -0.26 -2.22 -0.12 0.00 0.56 0.00 0.00 36.38 34.35 3djp s VAL 116 CO 0.23 -0.44 1.67 -2.84 -0.31 0.00 0.00 175.10 173.41 3djp s PRO 117 N -3.79 4.12 0.00 4.82 0.02 -1.26 -1.18 135.00 137.73 3djp s PRO 117 Ca 0.25 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.87 3djp s PRO 117 Cb 0.04 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.50 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 3.32 0.00 -3.70 3.83 0.24 0.74 -4.86 118.33 117.90 3djp n VAL 118 Ca 0.13 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 3djp n VAL 118 Cb 0.36 0.75 -0.09 0.00 -1.47 0.00 0.00 33.84 33.39 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 -1.17 -0.55 -0.29 6.34 5.65 -1.15 -4.98 115.29 119.15 3djp s HIS 119 Ca 0.00 1.33 -0.17 0.00 0.25 0.00 0.00 55.06 56.47 3djp s HIS 119 Cb 0.00 0.19 -0.02 0.00 -1.18 0.00 0.00 32.58 31.57 3djp s HIS 119 CO 0.00 -0.27 0.48 0.12 -0.65 0.00 0.00 174.74 174.42 3djp s PHE 120 N 0.24 3.23 -0.18 3.88 2.19 -1.26 -0.47 117.98 125.61 3djp s PHE 120 Ca -0.00 0.44 -0.16 0.00 0.33 0.00 0.00 56.93 57.53 3djp s PHE 120 Cb -0.03 -2.75 -0.21 0.00 -1.31 0.00 0.00 43.02 38.71 3djp s PHE 120 CO 0.01 -0.35 0.26 -3.47 1.83 0.00 0.00 175.22 173.49 3djp n ASP 121 N 5.56 1.96 -3.58 6.13 2.03 0.36 -4.94 116.55 124.05 3djp n ASP 121 Ca -0.05 0.35 0.02 0.00 0.52 0.00 0.00 54.79 55.63 3djp n ASP 121 Cb 0.50 -0.93 -0.00 0.00 -0.72 0.00 0.00 41.12 39.96 3djp n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3djp s ALA 122 N -2.43 -2.38 0.21 -1.67 0.00 -1.05 -4.88 121.76 109.56 3djp s ALA 122 Ca -0.27 1.03 0.11 0.00 0.00 0.00 0.00 51.96 52.83 3djp s ALA 122 Cb 0.06 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 3djp s ALA 122 CO 0.65 -0.98 -0.19 -1.54 0.00 0.00 0.00 175.76 173.70 3djp s SER 123 N -2.84 3.69 0.00 0.00 1.04 -1.26 -0.05 113.70 114.28 3djp s SER 123 Ca 0.14 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.74 3djp s SER 123 Cb 0.06 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.79 3djp s SER 123 CO -0.05 0.10 0.00 0.55 0.98 0.00 0.00 173.24 174.81