#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3s s PRO 2 N 0.00 3.23 -0.03 1.61 0.04 -1.26 -5.05 135.00 133.54 2k3s s PRO 2 Ca 0.00 1.66 0.03 0.00 0.04 0.00 0.00 61.00 62.74 2k3s s PRO 2 Cb 0.00 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 2k3s s PRO 2 CO 0.00 -0.96 -0.12 -0.51 0.04 0.00 0.00 177.00 175.45 2k3s s LEU 3 N -3.91 1.86 0.00 -3.56 1.43 -1.26 -4.98 118.68 108.26 2k3s s LEU 3 Ca 0.74 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 2k3s s LEU 3 Cb -0.26 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.30 2k3s s LEU 3 CO 0.29 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.58 2k3s n GLY 4 N 3.15 -0.83 0.26 -3.19 0.00 -1.26 -4.88 105.19 98.44 2k3s n GLY 4 Ca -0.17 -0.62 0.10 0.00 0.00 0.00 0.00 46.02 45.32 2k3s n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k3s h SER 5 N 0.00 0.00 0.37 1.61 4.64 -2.04 -2.03 113.55 116.10 2k3s h SER 5 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k3s h SER 5 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2k3s h SER 5 CO 0.00 0.11 0.00 0.07 -0.87 0.00 0.00 176.83 176.14 2k3s h LYS 6 N 0.00 0.00 -0.01 4.77 2.10 -2.01 -1.84 116.57 119.58 2k3s h LYS 6 Ca -0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 2k3s h LYS 6 Cb 0.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.55 2k3s h LYS 6 CO 0.01 0.00 -0.36 -0.91 -2.00 0.00 0.00 179.45 176.20 2k3s h ASN 7 N 0.00 0.02 0.24 7.07 4.21 -1.70 -1.16 115.58 124.26 2k3s h ASN 7 Ca 0.00 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 2k3s h ASN 7 Cb 0.19 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 2k3s h ASN 7 CO 0.00 0.38 -0.12 -0.03 -1.29 0.00 0.00 177.43 176.37 2k3s h MET 8 N 0.02 -0.31 -0.24 0.81 1.85 -1.51 -1.53 114.93 114.01 2k3s h MET 8 Ca -0.00 0.02 -0.09 0.00 -0.61 0.00 0.00 59.70 59.02 2k3s h MET 8 Cb 0.64 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.73 2k3s h MET 8 CO 0.05 -0.07 -0.25 -0.07 -0.40 0.00 0.00 176.91 176.17 2k3s h LEU 9 N -0.52 0.45 0.02 3.39 3.38 -1.65 -1.26 115.31 119.12 2k3s h LEU 9 Ca -0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2k3s h LEU 9 Cb 0.39 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2k3s h LEU 9 CO 0.05 0.70 -0.01 0.25 0.09 0.00 0.00 178.44 179.53 2k3s h LEU 10 N 0.40 -0.02 -0.38 1.67 5.85 -1.09 0.29 115.31 122.02 2k3s h LEU 10 Ca 0.06 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2k3s h LEU 10 Cb 0.65 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2k3s h LEU 10 CO 0.05 -0.01 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.03 2k3s h GLU 11 N -0.04 0.69 -0.07 1.25 4.22 -1.17 -0.72 114.58 118.75 2k3s h GLU 11 Ca -0.00 -0.24 -0.00 0.00 0.08 0.00 0.00 59.36 59.20 2k3s h GLU 11 Cb 0.03 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 2k3s h GLU 11 CO 0.00 0.81 0.04 2.35 -2.18 0.00 0.00 179.01 180.04 2k3s h TRP 12 N 0.51 0.10 -0.46 0.92 7.01 -1.07 -1.02 115.95 121.94 2k3s h TRP 12 Ca 0.10 -0.00 -0.09 0.00 2.11 0.00 0.00 58.89 61.01 2k3s h TRP 12 Cb 0.52 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.53 2k3s h TRP 12 CO 0.04 0.12 -0.05 0.00 -2.79 0.00 0.00 178.44 175.76 2k3s h ARG 14 N 0.70 0.56 0.00 0.00 2.43 -1.02 -0.79 114.38 116.26 2k3s h ARG 14 Ca 0.12 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k3s h ARG 14 Cb 0.58 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2k3s h ARG 14 CO 0.03 0.58 0.00 0.00 -1.51 0.00 0.00 179.97 179.08 2k3s h ALA 15 N 1.47 1.00 0.08 2.80 0.00 -0.99 0.13 119.26 123.75 2k3s h ALA 15 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.66 2k3s h ALA 15 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2k3s h ALA 15 CO 0.01 0.00 -2.13 -1.33 0.00 0.00 0.00 179.25 175.80 2k3s n MET 16 N -2.57 0.72 0.19 0.00 2.81 -0.42 -4.26 117.12 113.59 2k3s n MET 16 Ca 0.01 0.22 0.08 0.00 -1.81 0.00 0.00 57.70 56.20 2k3s n MET 16 Cb 0.22 -1.66 0.19 0.00 -0.71 0.00 0.00 33.22 31.27 2k3s n MET 16 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2k3s h THR 17 N 0.05 0.48 0.00 2.03 1.35 -1.00 -3.15 112.91 112.66 2k3s h THR 17 Ca -0.46 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 2k3s h THR 17 Cb 2.00 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 70.53 2k3s h THR 17 CO 0.04 0.25 0.00 -1.14 -0.25 0.00 0.00 175.52 174.42 2k3s n ARG 18 N -3.21 0.03 0.03 4.72 0.63 0.01 -0.85 116.66 118.02 2k3s n ARG 18 Ca 0.02 0.41 0.13 0.00 -0.92 0.00 0.00 57.85 57.50 2k3s n ARG 18 Cb 0.59 -1.57 0.51 0.00 0.45 0.00 0.00 32.46 32.44 2k3s n ARG 18 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2k3s n ASN 19 N -1.62 0.28 -1.87 6.15 5.03 -1.19 -4.83 115.26 117.20 2k3s n ASN 19 Ca 0.01 0.43 0.00 0.00 0.87 0.00 0.00 54.58 55.89 2k3s n ASN 19 Cb 0.08 -0.47 0.00 0.00 -1.02 0.00 0.00 39.78 38.38 2k3s n ASN 19 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2k3s n TYR 20 N -1.71 -2.17 -4.09 3.10 4.01 -0.03 -5.15 117.16 111.12 2k3s n TYR 20 Ca 0.06 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.67 2k3s n TYR 20 Cb 0.37 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.28 2k3s n TYR 20 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 2k3s s GLU 21 N -1.71 0.60 0.00 -0.72 4.04 -1.26 -4.77 118.70 114.88 2k3s s GLU 21 Ca 0.00 -0.83 0.00 0.00 0.04 0.00 0.00 54.97 54.18 2k3s s GLU 21 Cb 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 34.13 33.77 2k3s s GLU 21 CO 0.00 0.07 0.00 1.58 -1.84 0.00 0.00 175.26 175.07 2k3s n HIS 22 N 1.32 0.00 -3.82 4.83 -0.00 -1.26 -4.90 115.22 111.39 2k3s n HIS 22 Ca -0.22 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.17 2k3s n HIS 22 Cb 0.55 -0.24 -0.11 0.00 -0.00 0.00 0.00 29.99 30.19 2k3s n HIS 22 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2k3s s VAL 23 N -2.01 3.23 -0.08 3.57 1.01 -1.26 -5.06 120.40 119.80 2k3s s VAL 23 Ca 0.00 -3.10 0.04 0.00 0.00 0.00 0.00 61.98 58.92 2k3s s VAL 23 Cb 0.00 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2k3s s VAL 23 CO 0.00 -0.84 -0.21 -0.62 0.00 0.00 0.00 175.10 173.42 2k3s s ASP 24 N 0.29 3.35 -0.56 3.32 2.15 -1.26 -4.50 116.67 119.45 2k3s s ASP 24 Ca 0.17 -0.46 -0.23 0.00 0.43 0.00 0.00 52.55 52.46 2k3s s ASP 24 Cb -0.22 -1.12 0.05 0.00 -0.30 0.00 0.00 42.92 41.33 2k3s s ASP 24 CO -0.02 0.22 0.87 -0.63 -0.17 0.00 0.00 175.17 175.44 2k3s s ILE 25 N -0.01 4.49 -0.23 4.11 1.01 -1.26 -4.82 121.20 124.49 2k3s s ILE 25 Ca -0.07 0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.49 2k3s s ILE 25 Cb -0.15 -4.51 -0.11 0.00 0.01 0.00 0.00 42.46 37.71 2k3s s ILE 25 CO 0.05 -1.09 -0.29 1.67 0.00 0.00 0.00 174.94 175.28 2k3s n GLN 26 N 7.20 0.51 -3.88 2.79 7.27 -1.26 -4.97 117.38 125.04 2k3s n GLN 26 Ca -0.01 0.21 -0.11 0.00 0.07 0.00 0.00 57.00 57.15 2k3s n GLN 26 Cb 0.47 -1.35 -0.12 0.00 2.41 0.00 0.00 30.24 31.65 2k3s n GLN 26 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2k3s s ASN 27 N -6.98 0.01 0.65 1.69 3.84 -1.26 -4.99 114.94 107.90 2k3s s ASN 27 Ca -0.32 -0.07 0.43 0.00 0.21 0.00 0.00 52.86 53.11 2k3s s ASN 27 Cb 0.12 0.18 2.27 0.00 -0.55 0.00 0.00 41.25 43.27 2k3s s ASN 27 CO 0.43 -0.19 2.31 -0.26 -2.79 0.00 0.00 177.10 176.60 2k3s h PHE 28 N 5.20 0.00 0.00 0.43 -1.00 -1.96 -0.08 116.94 119.53 2k3s h PHE 28 Ca -0.28 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.25 2k3s h PHE 28 Cb 1.20 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.72 2k3s h PHE 28 CO 0.52 0.00 -1.93 0.43 -1.61 0.00 0.00 178.31 175.71 2k3s n SER 29 N -3.09 2.56 0.11 2.17 7.64 -1.26 -4.16 113.62 117.59 2k3s n SER 29 Ca -0.02 -0.05 -0.03 0.00 1.01 0.00 0.00 58.87 59.77 2k3s n SER 29 Cb 0.11 -0.29 0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2k3s n SER 29 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3s h SER 30 N -0.07 0.00 0.10 6.43 0.02 -1.88 -3.01 113.55 115.14 2k3s h SER 30 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2k3s h SER 30 Cb 1.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.08 2k3s h SER 30 CO -0.08 0.73 -0.81 -1.20 -1.14 0.00 0.00 176.83 174.33 2k3s n SER 31 N -3.67 1.05 -0.85 3.07 7.64 -0.05 -4.13 113.62 116.69 2k3s n SER 31 Ca -0.01 -0.93 0.07 0.00 1.01 0.00 0.00 58.87 59.02 2k3s n SER 31 Cb 0.71 0.76 0.20 0.00 -1.01 0.00 0.00 64.21 64.87 2k3s n SER 31 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2k3s n TRP 32 N -1.27 0.59 0.10 1.43 7.02 -1.22 -4.47 117.44 119.63 2k3s n TRP 32 Ca 0.05 -0.47 -0.04 0.00 -1.02 0.00 0.00 57.50 56.02 2k3s n TRP 32 Cb 0.35 -0.02 0.14 0.00 -2.42 0.00 0.00 31.31 29.36 2k3s n TRP 32 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 2k3s h SER 33 N 2.73 0.19 0.88 -0.99 0.02 -1.68 -3.03 113.55 111.68 2k3s h SER 33 Ca 0.00 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.68 2k3s h SER 33 Cb 0.80 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2k3s h SER 33 CO 0.00 0.75 -0.77 0.77 -1.14 0.00 0.00 176.83 176.44 2k3s h SER 34 N 0.13 0.00 0.00 3.07 4.64 -1.87 -3.47 113.55 116.05 2k3s h SER 34 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2k3s h SER 34 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2k3s h SER 34 CO 0.09 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.43 2k3s n GLY 35 N 0.84 2.38 0.29 -0.77 0.00 -1.15 -4.81 105.19 101.98 2k3s n GLY 35 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2k3s n GLY 35 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2k3s h MET 36 N 2.59 0.00 -0.43 1.61 2.86 -1.87 -1.88 114.93 117.81 2k3s h MET 36 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2k3s h MET 36 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2k3s h MET 36 CO 0.00 0.03 0.04 0.00 1.06 0.00 0.00 176.91 178.04 2k3s h ALA 37 N 1.97 1.28 0.06 6.32 0.00 -1.90 -1.44 119.26 125.55 2k3s h ALA 37 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k3s h ALA 37 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2k3s h ALA 37 CO 0.00 0.49 -0.03 0.74 0.00 0.00 0.00 179.25 180.45 2k3s h PHE 38 N 0.63 -0.08 -0.48 0.00 0.04 -1.72 -2.50 116.94 112.84 2k3s h PHE 38 Ca 0.14 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 2k3s h PHE 38 Cb 0.33 0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 2k3s h PHE 38 CO 0.01 0.20 0.17 0.00 -0.60 0.00 0.00 178.31 178.09 2k3s h ALA 40 N 1.51 1.00 -0.18 0.00 0.00 -1.14 0.14 119.26 120.58 2k3s h ALA 40 Ca 0.16 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2k3s h ALA 40 Cb 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2k3s h ALA 40 CO -0.01 0.51 -0.48 1.25 0.00 0.00 0.00 179.25 180.52 2k3s h LEU 41 N 1.08 0.73 -0.57 0.00 5.85 -0.98 -2.40 115.31 119.01 2k3s h LEU 41 Ca 0.27 -0.58 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 2k3s h LEU 41 Cb 0.04 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2k3s h LEU 41 CO -0.04 1.18 0.16 0.40 -0.34 0.00 0.00 178.44 179.79 2k3s h ILE 42 N 0.31 1.24 0.00 4.05 1.08 -1.02 -2.21 117.51 120.97 2k3s h ILE 42 Ca -0.01 -0.86 -0.03 0.00 -0.39 0.00 0.00 64.86 63.57 2k3s h ILE 42 Cb 1.10 0.71 -0.00 0.00 -3.07 0.00 0.00 36.82 35.55 2k3s h ILE 42 CO 0.10 0.32 -0.14 -0.74 -0.69 0.00 0.00 178.15 177.01 2k3s h HIS 43 N 0.81 0.00 -0.35 1.37 2.76 -0.73 0.29 115.15 119.30 2k3s h HIS 43 Ca 0.18 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.25 2k3s h HIS 43 Cb 0.32 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 2k3s h HIS 43 CO 0.02 0.14 -0.20 -0.22 -1.30 0.00 0.00 177.93 176.37 2k3s h LYS 44 N 0.00 0.65 0.01 5.26 1.63 -0.86 -3.31 116.57 119.97 2k3s h LYS 44 Ca -0.00 -0.24 -0.39 0.00 -0.85 0.00 0.00 60.65 59.17 2k3s h LYS 44 Cb 0.40 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.93 2k3s h LYS 44 CO 0.02 0.81 -2.42 1.19 -3.45 0.00 0.00 179.45 175.60 2k3s n PHE 45 N -4.13 0.15 -3.71 1.91 3.72 -0.98 -4.81 117.46 109.62 2k3s n PHE 45 Ca 0.00 0.03 -0.37 0.00 -0.05 0.00 0.00 57.45 57.07 2k3s n PHE 45 Cb 0.40 -1.02 -0.10 0.00 -0.94 0.00 0.00 39.48 37.82 2k3s n PHE 45 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2k3s s PHE 46 N -2.52 3.49 0.22 1.38 0.08 0.98 -4.93 117.98 116.68 2k3s s PHE 46 Ca -0.34 -2.47 0.16 0.00 0.12 0.00 0.00 56.93 54.39 2k3s s PHE 46 Cb 0.09 -3.27 0.58 0.00 -0.57 0.00 0.00 43.02 39.85 2k3s s PHE 46 CO 0.61 -0.92 1.70 -1.35 -0.10 0.00 0.00 175.22 175.17 2k3s h PRO 47 N 7.61 0.00 0.00 0.24 0.11 -1.81 -2.91 132.00 135.24 2k3s h PRO 47 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2k3s h PRO 47 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2k3s h PRO 47 CO 0.73 0.45 -0.13 -1.91 -0.21 0.00 0.00 178.00 176.94 2k3s n GLU 48 N -3.67 0.08 0.29 1.05 2.13 -1.26 -4.11 120.64 115.16 2k3s n GLU 48 Ca -0.01 0.06 -0.17 0.00 0.66 0.00 0.00 57.16 57.70 2k3s n GLU 48 Cb 0.53 -1.59 -0.09 0.00 0.27 0.00 0.00 31.44 30.57 2k3s n GLU 48 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3s h ALA 49 N 2.85 -1.15 -1.97 4.31 0.00 -1.88 -3.47 119.26 117.96 2k3s h ALA 49 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.80 2k3s h ALA 49 Cb 0.58 0.66 -0.19 0.00 0.00 0.00 0.00 17.79 18.84 2k3s h ALA 49 CO 0.00 -1.16 0.48 -0.59 0.00 0.00 0.00 179.25 177.98 2k3s s PHE 50 N -5.55 -0.39 -0.20 0.00 -0.12 -1.26 -5.11 117.98 105.35 2k3s s PHE 50 Ca -0.16 0.48 -0.29 0.00 -0.05 0.00 0.00 56.93 56.91 2k3s s PHE 50 Cb 0.03 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.92 2k3s s PHE 50 CO 0.54 -0.47 1.02 0.34 -0.05 0.00 0.00 175.22 176.59 2k3s s ASP 51 N -1.80 7.12 0.31 1.98 -1.08 -1.26 -4.90 116.67 117.05 2k3s s ASP 51 Ca 0.01 1.40 0.15 0.00 -0.52 0.00 0.00 52.55 53.58 2k3s s ASP 51 Cb -0.01 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.35 2k3s s ASP 51 CO -0.03 -0.61 1.62 0.22 0.52 0.00 0.00 175.17 176.89 2k3s h TYR 52 N 7.38 0.00 0.00 -5.34 3.20 -1.95 -2.91 116.97 117.36 2k3s h TYR 52 Ca -0.22 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.61 2k3s h TYR 52 Cb 1.08 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 2k3s h TYR 52 CO 0.74 0.52 -0.17 0.00 -1.64 0.00 0.00 178.16 177.61 2k3s h ALA 53 N 1.48 0.94 -0.20 1.82 0.00 -2.03 -2.76 119.26 118.51 2k3s h ALA 53 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k3s h ALA 53 Cb 1.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2k3s h ALA 53 CO 0.07 0.21 0.00 -1.91 0.00 0.00 0.00 179.25 177.62 2k3s n GLU 54 N -3.21 1.87 -3.96 0.00 2.13 -1.10 -4.86 120.64 111.51 2k3s n GLU 54 Ca 0.02 -1.31 -0.36 0.00 0.66 0.00 0.00 57.16 56.16 2k3s n GLU 54 Cb 0.50 -1.42 -0.07 0.00 0.27 0.00 0.00 31.44 30.72 2k3s n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2k3s s LEU 55 N -1.57 4.20 0.15 4.31 1.43 -1.04 -5.03 118.68 121.13 2k3s s LEU 55 Ca 0.33 0.37 0.10 0.00 -1.03 0.00 0.00 54.13 53.90 2k3s s LEU 55 Cb 0.18 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2k3s s LEU 55 CO 0.27 0.37 -0.22 1.51 0.23 0.00 0.00 176.35 178.51 2k3s s ASP 56 N -0.80 2.97 0.48 2.29 -4.77 -1.26 -5.02 116.67 110.57 2k3s s ASP 56 Ca 0.13 -0.79 0.20 0.00 -3.30 0.00 0.00 52.55 48.79 2k3s s ASP 56 Cb -0.12 -0.19 1.21 0.00 -1.09 0.00 0.00 42.92 42.74 2k3s s ASP 56 CO 0.03 0.07 2.04 -0.65 0.70 0.00 0.00 175.17 177.36 2k3s h PRO 57 N 3.58 0.00 -0.24 2.11 0.11 -1.99 -2.71 132.00 132.87 2k3s h PRO 57 Ca -0.46 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 2k3s h PRO 57 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2k3s h PRO 57 CO 0.45 0.15 -0.16 0.00 -0.21 0.00 0.00 178.00 178.22 2k3s h ALA 58 N 1.85 1.29 -0.24 -0.75 0.00 -1.96 -2.17 119.26 117.28 2k3s h ALA 58 Ca -0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 2k3s h ALA 58 Cb 0.30 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 2k3s h ALA 58 CO 0.02 0.47 0.15 1.63 0.00 0.00 0.00 179.25 181.52 2k3s n LYS 59 N -4.20 1.35 -0.19 0.00 5.02 -1.02 -4.44 118.16 114.68 2k3s n LYS 59 Ca -0.00 -0.74 0.17 0.00 -2.02 0.00 0.00 58.31 55.73 2k3s n LYS 59 Cb 0.33 -1.32 0.52 0.00 -0.02 0.00 0.00 35.03 34.54 2k3s n LYS 59 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2k3s h ARG 60 N 0.30 0.38 -0.59 1.97 0.11 -1.53 0.54 114.38 115.57 2k3s h ARG 60 Ca 0.14 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 60.11 2k3s h ARG 60 Cb 1.42 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.39 2k3s h ARG 60 CO 0.26 0.25 -0.01 -0.09 0.10 0.00 0.00 179.97 180.48 2k3s h ARG 61 N 0.39 1.04 0.08 0.08 1.12 -1.87 -0.85 114.38 114.37 2k3s h ARG 61 Ca 0.41 -0.33 -0.25 0.00 -1.11 0.00 0.00 59.98 58.70 2k3s h ARG 61 Cb 1.01 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.86 2k3s h ARG 61 CO -0.14 1.02 -1.14 0.45 -3.11 0.00 0.00 179.97 177.06 2k3s h HIS 62 N 0.95 0.31 0.06 2.20 3.86 -1.38 -3.10 115.15 118.05 2k3s h HIS 62 Ca 0.17 -0.22 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2k3s h HIS 62 Cb 0.56 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.02 2k3s h HIS 62 CO 0.04 1.17 -0.03 -0.97 0.86 0.00 0.00 177.93 178.99 2k3s h ASN 63 N 0.05 -0.08 -0.35 2.45 -0.73 0.22 0.35 115.58 117.50 2k3s h ASN 63 Ca -0.09 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.12 2k3s h ASN 63 Cb 1.88 0.02 -0.03 0.00 0.27 0.00 0.00 38.32 40.46 2k3s h ASN 63 CO 0.17 -0.05 0.15 -0.26 -0.37 0.00 0.00 177.43 177.07 2k3s h PHE 64 N -0.09 0.28 -0.15 0.67 0.04 -1.25 0.68 116.94 117.12 2k3s h PHE 64 Ca -0.01 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2k3s h PHE 64 Cb 0.07 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2k3s h PHE 64 CO -0.08 0.14 0.09 1.15 -0.60 0.00 0.00 178.31 179.01 2k3s h THR 65 N 0.33 1.02 -0.35 -1.55 2.02 -1.40 0.37 112.91 113.34 2k3s h THR 65 Ca 0.15 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.27 2k3s h THR 65 Cb 0.08 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 2k3s h THR 65 CO -0.12 0.03 0.23 0.25 0.37 0.00 0.00 175.52 176.28 2k3s h LEU 66 N 0.19 0.41 0.06 2.58 5.85 0.05 -0.28 115.31 124.16 2k3s h LEU 66 Ca 0.06 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k3s h LEU 66 Cb -0.01 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2k3s h LEU 66 CO -0.02 0.31 -0.03 0.00 -0.34 0.00 0.00 178.44 178.36 2k3s h ALA 67 N 1.11 -0.07 -0.32 1.25 0.00 -0.68 -1.35 119.26 119.20 2k3s h ALA 67 Ca 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2k3s h ALA 67 Cb -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k3s h ALA 67 CO -0.03 -0.46 0.20 0.74 0.00 0.00 0.00 179.25 179.70 2k3s h PHE 68 N -0.24 0.38 -0.08 0.00 -1.00 -0.81 -0.01 116.94 115.18 2k3s h PHE 68 Ca -0.01 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 2k3s h PHE 68 Cb 0.21 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.64 2k3s h PHE 68 CO -0.02 0.23 0.03 0.66 -1.61 0.00 0.00 178.31 177.60 2k3s h SER 69 N 0.41 0.11 -0.31 2.17 4.64 -1.03 -2.55 113.55 116.98 2k3s h SER 69 Ca 0.12 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2k3s h SER 69 Cb -0.03 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 2k3s h SER 69 CO -0.04 0.27 0.12 0.74 -0.87 0.00 0.00 176.83 177.05 2k3s h THR 70 N -0.05 1.16 -0.22 2.95 2.02 -1.13 0.24 112.91 117.87 2k3s h THR 70 Ca 0.03 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 2k3s h THR 70 Cb 0.20 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2k3s h THR 70 CO -0.00 0.20 0.00 0.00 0.37 0.00 0.00 175.52 176.10 2k3s h ALA 71 N 1.59 1.60 0.14 6.16 0.00 -0.75 0.10 119.26 128.11 2k3s h ALA 71 Ca 0.13 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 2k3s h ALA 71 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k3s h ALA 71 CO -0.01 0.30 -1.79 1.49 0.00 0.00 0.00 179.25 179.24 2k3s h GLU 72 N 0.32 0.30 -0.14 0.00 4.81 -0.84 -0.61 114.58 118.42 2k3s h GLU 72 Ca 0.07 -0.51 -0.12 0.00 -0.13 0.00 0.00 59.36 58.67 2k3s h GLU 72 Cb 0.21 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2k3s h GLU 72 CO 0.00 1.19 -0.45 0.87 -0.73 0.00 0.00 179.01 179.89 2k3s h LYS 73 N 0.08 0.33 0.00 1.92 1.79 -0.33 -0.84 116.57 119.53 2k3s h LYS 73 Ca -0.35 -0.17 -0.25 0.00 -2.18 0.00 0.00 60.65 57.70 2k3s h LYS 73 Cb 2.06 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 32.67 2k3s h LYS 73 CO 0.14 0.72 -1.93 1.28 -1.08 0.00 0.00 179.45 178.58 2k3s n LEU 74 N -4.00 1.48 -0.28 2.94 4.77 0.33 -4.66 117.00 117.58 2k3s n LEU 74 Ca -0.02 -0.05 0.07 0.00 -0.03 0.00 0.00 56.01 55.99 2k3s n LEU 74 Cb 0.52 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2k3s n LEU 74 CO 0.43 0.55 0.21 0.00 -1.33 0.00 0.00 177.39 177.26 2k3s n ALA 75 N -2.74 3.14 -2.22 -1.18 0.00 -0.50 -4.98 120.51 112.03 2k3s n ALA 75 Ca -0.26 -0.49 -0.19 0.00 0.00 0.00 0.00 53.44 52.51 2k3s n ALA 75 Cb 0.87 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 2k3s n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k3s n ASP 76 N -0.31 -5.44 -4.70 0.00 8.00 -0.32 -4.83 116.55 108.96 2k3s n ASP 76 Ca 0.05 0.07 -0.31 0.00 0.71 0.00 0.00 54.79 55.31 2k3s n ASP 76 Cb 0.28 -4.51 0.15 0.00 -0.02 0.00 0.00 41.12 37.02 2k3s n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3s s ALA 78 N -2.68 3.66 -1.13 0.00 0.00 -1.26 -4.44 121.76 115.90 2k3s s ALA 78 Ca 0.66 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.86 2k3s s ALA 78 Cb -0.22 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.65 2k3s s ALA 78 CO 0.57 0.19 1.72 -0.65 0.00 0.00 0.00 175.76 177.58 2k3s s GLN 79 N 0.21 3.38 0.02 0.00 -0.21 -1.26 -4.71 119.66 117.09 2k3s s GLN 79 Ca 0.14 -1.31 0.26 0.00 0.02 0.00 0.00 55.36 54.46 2k3s s GLN 79 Cb -0.12 -5.36 0.69 0.00 1.00 0.00 0.00 33.01 29.22 2k3s s GLN 79 CO 0.02 -2.73 1.55 1.28 -2.12 0.00 0.00 175.29 173.29 2k3s n LEU 80 N 10.49 0.40 -4.12 2.90 4.77 -1.26 -4.88 117.00 125.30 2k3s n LEU 80 Ca 0.42 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 56.45 2k3s n LEU 80 Cb 0.48 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 2k3s n LEU 80 CO 0.69 0.06 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.66 2k3s s LEU 81 N -3.20 2.37 -0.07 2.23 1.43 -1.26 -5.10 118.68 115.09 2k3s s LEU 81 Ca 0.11 -0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 52.42 2k3s s LEU 81 Cb 0.17 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 46.20 2k3s s LEU 81 CO 0.65 -0.31 0.09 -1.61 0.23 0.00 0.00 176.35 175.40 2k3s s GLU 82 N -2.60 3.21 0.06 1.70 2.02 -1.26 -5.03 118.70 116.79 2k3s s GLU 82 Ca 0.00 -0.33 -0.36 0.00 0.02 0.00 0.00 54.97 54.31 2k3s s GLU 82 Cb -0.03 -2.98 -0.20 0.00 0.10 0.00 0.00 34.13 31.02 2k3s s GLU 82 CO -0.02 0.71 1.58 0.28 0.02 0.00 0.00 175.26 177.83 2k3s h VAL 83 N 3.69 0.11 -0.75 2.63 2.07 -1.96 -1.16 116.25 120.87 2k3s h VAL 83 Ca -0.52 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.01 2k3s h VAL 83 Cb 1.20 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2k3s h VAL 83 CO 0.59 0.00 0.50 0.44 0.02 0.00 0.00 177.57 179.12 2k3s h ASP 84 N -1.22 0.85 0.05 0.57 3.32 -1.96 -0.67 116.42 117.36 2k3s h ASP 84 Ca -0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 2k3s h ASP 84 Cb 0.93 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2k3s h ASP 84 CO 0.20 0.60 -0.02 -0.78 -1.72 0.00 0.00 179.24 177.53 2k3s h ASP 85 N 0.99 -0.05 -0.57 6.45 3.58 -1.96 -0.25 116.42 124.61 2k3s h ASP 85 Ca 0.28 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 2k3s h ASP 85 Cb -0.07 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 2k3s h ASP 85 CO -0.07 0.06 0.23 0.24 -2.88 0.00 0.00 179.24 176.82 2k3s h MET 86 N -0.17 0.90 -0.51 0.28 2.86 -0.74 -0.14 114.93 117.41 2k3s h MET 86 Ca -0.01 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 2k3s h MET 86 Cb 0.15 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2k3s h MET 86 CO 0.01 0.75 -0.06 0.28 1.06 0.00 0.00 176.91 178.95 2k3s h VAL 87 N 0.88 1.27 0.03 -2.22 2.07 -0.93 0.35 116.25 117.69 2k3s h VAL 87 Ca 0.21 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 2k3s h VAL 87 Cb 0.19 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2k3s h VAL 87 CO -0.02 0.41 -0.01 0.03 0.02 0.00 0.00 177.57 178.00 2k3s h ARG 88 N 0.80 -0.04 -0.44 1.57 3.08 -0.58 -3.19 114.38 115.57 2k3s h ARG 88 Ca 0.14 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 2k3s h ARG 88 Cb 0.61 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2k3s h ARG 88 CO 0.04 0.27 0.01 -0.07 -1.07 0.00 0.00 179.97 179.15 2k3s h LEU 89 N -0.35 0.75 0.00 3.04 3.38 -1.02 -3.46 115.31 117.65 2k3s h LEU 89 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2k3s h LEU 89 Cb 0.33 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2k3s h LEU 89 CO 0.01 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.40 2k3s n ALA 90 N -2.41 0.00 -3.62 1.53 0.00 0.12 -4.89 120.51 111.23 2k3s n ALA 90 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2k3s n ALA 90 Cb 0.29 -0.37 -0.15 0.00 0.00 0.00 0.00 19.45 19.22 2k3s n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k3s s VAL 91 N -2.27 0.26 0.53 0.00 1.01 -1.26 -4.49 120.40 114.18 2k3s s VAL 91 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 2k3s s VAL 91 Cb 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 2k3s s VAL 91 CO 0.00 -0.61 0.97 -2.16 0.00 0.00 0.00 175.10 173.30 2k3s s PRO 92 N 1.94 3.81 0.03 2.72 0.04 -1.26 -5.05 135.00 137.23 2k3s s PRO 92 Ca 0.07 0.82 -0.22 0.00 0.04 0.00 0.00 61.00 61.71 2k3s s PRO 92 Cb -0.16 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 2k3s s PRO 92 CO -0.28 -0.34 0.64 0.34 0.04 0.00 0.00 177.00 177.41 2k3s s ASP 93 N -3.46 7.07 0.33 6.66 2.15 -1.26 -4.36 116.67 123.80 2k3s s ASP 93 Ca 0.57 1.27 0.02 0.00 0.43 0.00 0.00 52.55 54.84 2k3s s ASP 93 Cb -0.10 -2.40 0.61 0.00 -0.30 0.00 0.00 42.92 40.73 2k3s s ASP 93 CO 0.39 0.11 1.96 0.28 -0.17 0.00 0.00 175.17 177.74 2k3s h SER 94 N 5.43 0.79 0.01 -0.34 0.02 -1.97 -1.35 113.55 116.14 2k3s h SER 94 Ca -0.46 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2k3s h SER 94 Cb 1.20 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2k3s h SER 94 CO 0.69 0.54 -0.00 0.50 -1.14 0.00 0.00 176.83 177.42 2k3s h LYS 95 N 0.92 -0.01 -0.58 3.45 3.64 -1.99 0.58 116.57 122.57 2k3s h LYS 95 Ca 0.31 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2k3s h LYS 95 Cb 0.09 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2k3s h LYS 95 CO -0.09 0.22 0.35 0.00 -2.27 0.00 0.00 179.45 177.66 2k3s h VAL 97 N 0.79 1.26 -0.54 0.00 2.07 -1.17 -1.82 116.25 116.83 2k3s h VAL 97 Ca 0.21 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.82 2k3s h VAL 97 Cb -0.01 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 2k3s h VAL 97 CO -0.04 0.37 0.32 0.22 0.02 0.00 0.00 177.57 178.46 2k3s h TYR 98 N 1.09 0.59 -0.58 1.57 3.20 -0.45 0.78 116.97 123.17 2k3s h TYR 98 Ca 0.23 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 2k3s h TYR 98 Cb 0.34 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2k3s h TYR 98 CO 0.03 0.33 0.06 1.15 -1.64 0.00 0.00 178.16 178.08 2k3s h THR 99 N 0.63 1.25 -0.49 1.81 2.02 -1.14 0.12 112.91 117.12 2k3s h THR 99 Ca 0.22 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 2k3s h THR 99 Cb 0.05 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2k3s h THR 99 CO -0.11 0.37 0.23 0.22 0.37 0.00 0.00 175.52 176.60 2k3s h TYR 100 N 0.90 0.71 -0.29 3.16 5.03 -0.48 -0.75 116.97 125.25 2k3s h TYR 100 Ca 0.18 -0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.31 2k3s h TYR 100 Cb 0.44 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 2k3s h TYR 100 CO 0.03 0.57 -0.36 0.82 -1.32 0.00 0.00 178.16 177.89 2k3s h ILE 101 N 0.64 1.29 0.43 1.81 1.08 -0.59 -1.46 117.51 120.72 2k3s h ILE 101 Ca 0.17 -1.52 -0.02 0.00 -0.39 0.00 0.00 64.86 63.10 2k3s h ILE 101 Cb 0.13 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 2k3s h ILE 101 CO -0.02 0.49 -0.21 -0.61 -0.69 0.00 0.00 178.15 177.11 2k3s h GLN 102 N 0.56 -0.56 -0.34 2.37 -0.00 -0.36 0.33 115.11 117.11 2k3s h GLN 102 Ca 0.05 0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.72 2k3s h GLN 102 Cb 0.88 0.13 -0.02 0.00 0.00 0.00 0.00 27.48 28.47 2k3s h GLN 102 CO 0.08 -0.34 0.10 0.93 0.00 0.00 0.00 178.83 179.60 2k3s h GLU 103 N -0.65 0.48 -0.11 1.69 4.39 -1.15 0.30 114.58 119.53 2k3s h GLU 103 Ca -0.06 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 2k3s h GLU 103 Cb 0.48 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2k3s h GLU 103 CO 0.10 0.43 -0.02 1.25 -1.16 0.00 0.00 179.01 179.61 2k3s h LEU 104 N 0.48 0.21 -0.61 1.33 5.85 -0.97 -1.48 115.31 120.12 2k3s h LEU 104 Ca 0.12 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 2k3s h LEU 104 Cb 0.15 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2k3s h LEU 104 CO -0.01 0.52 0.38 0.22 -0.34 0.00 0.00 178.44 179.21 2k3s h TYR 105 N -0.10 0.79 -0.49 1.25 3.20 0.24 0.99 116.97 122.85 2k3s h TYR 105 Ca 0.03 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.97 2k3s h TYR 105 Cb 0.42 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.37 2k3s h TYR 105 CO 0.05 0.53 0.16 -0.09 -1.64 0.00 0.00 178.16 177.17 2k3s h ARG 106 N 0.82 0.32 -0.46 1.82 2.43 -0.33 0.24 114.38 119.23 2k3s h ARG 106 Ca 0.22 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2k3s h ARG 106 Cb -0.05 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2k3s h ARG 106 CO -0.04 0.21 -0.09 0.77 -1.51 0.00 0.00 179.97 179.31 2k3s h SER 107 N 0.33 0.87 -0.72 -3.80 0.02 -0.73 -1.07 113.55 108.45 2k3s h SER 107 Ca 0.24 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2k3s h SER 107 Cb 0.26 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 2k3s h SER 107 CO -0.25 1.02 0.37 -0.07 -1.14 0.00 0.00 176.83 176.75 2k3s h LEU 108 N 0.70 0.94 -0.30 5.07 3.38 -0.03 -0.23 115.31 124.85 2k3s h LEU 108 Ca 0.12 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2k3s h LEU 108 Cb 0.62 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2k3s h LEU 108 CO 0.04 0.79 -0.25 0.58 0.09 0.00 0.00 178.44 179.69 2k3s h VAL 109 N 1.04 1.30 -0.79 1.22 2.07 -0.37 0.26 116.25 120.98 2k3s h VAL 109 Ca 0.26 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 2k3s h VAL 109 Cb 0.09 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2k3s h VAL 109 CO -0.04 0.45 0.47 1.56 0.02 0.00 0.00 177.57 180.04 2k3s h GLN 110 N 0.45 1.07 -0.00 1.57 4.20 -0.70 -0.97 115.11 120.73 2k3s h GLN 110 Ca 0.05 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2k3s h GLN 110 Cb 0.81 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2k3s h GLN 110 CO 0.06 0.75 -0.14 1.63 -0.67 0.00 0.00 178.83 180.46 2k3s n LYS 111 N -4.38 0.25 -2.22 1.46 5.02 -0.14 -4.92 118.16 113.23 2k3s n LYS 111 Ca 0.08 -0.07 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 2k3s n LYS 111 Cb 0.07 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2k3s n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3s n GLY 112 N 1.41 0.01 0.09 0.72 0.00 -0.37 -4.93 105.19 102.12 2k3s n GLY 112 Ca 0.10 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 2k3s n GLY 112 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k3s h LEU 113 N -0.07 0.14 -1.26 0.99 3.38 -0.78 -3.31 115.31 114.40 2k3s h LEU 113 Ca -0.22 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 2k3s h LEU 113 Cb 1.16 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2k3s h LEU 113 CO 0.26 1.20 -0.31 0.58 0.09 0.00 0.00 178.44 180.25 2k3s h VAL 114 N 0.02 1.24 -0.16 1.22 2.07 -1.88 -2.81 116.25 115.97 2k3s h VAL 114 Ca -0.23 -1.16 -0.10 0.00 0.82 0.00 0.00 66.70 66.04 2k3s h VAL 114 Cb 1.96 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 33.24 2k3s h VAL 114 CO 0.11 0.34 0.12 1.17 0.02 0.00 0.00 177.57 179.34 2k3s n LYS 115 N -4.14 1.24 0.00 1.57 4.81 -1.25 -4.13 118.16 116.26 2k3s n LYS 115 Ca -0.02 -0.50 0.15 0.00 -0.87 0.00 0.00 58.31 57.08 2k3s n LYS 115 Cb 0.38 -1.19 0.86 0.00 0.02 0.00 0.00 35.03 35.09 2k3s n LYS 115 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 2k3s n THR 116 N 0.79 0.01 -1.36 3.15 5.66 -1.06 -4.27 114.28 117.20 2k3s n THR 116 Ca 0.10 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.71 2k3s n THR 116 Cb 0.59 -0.53 -0.03 0.00 -1.55 0.00 0.00 70.33 68.80 2k3s n THR 116 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k3s n LYS 117 N -1.06 3.77 -4.40 1.09 5.02 -1.26 -4.85 118.16 116.47 2k3s n LYS 117 Ca 0.21 -2.29 -0.21 0.00 -2.02 0.00 0.00 58.31 53.99 2k3s n LYS 117 Cb 0.13 -2.78 -0.13 0.00 -0.02 0.00 0.00 35.03 32.23 2k3s n LYS 117 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k3s s LYS 118 N 1.88 1.03 0.00 1.97 1.02 -1.26 -5.25 119.74 119.13 2k3s s LYS 118 Ca 0.69 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.85 2k3s s LYS 118 Cb 0.18 -1.07 0.00 0.00 -0.52 0.00 0.00 37.83 36.42 2k3s s LYS 118 CO -0.06 0.26 0.00 1.17 -0.92 0.00 0.00 175.35 175.80