#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3icj s MET 35 N 0.00 2.64 -0.00 0.00 1.75 -1.26 -2.91 119.30 119.51 3icj s MET 35 Ca 0.00 -0.90 0.03 0.00 -1.25 0.00 0.00 55.69 53.57 3icj s MET 35 Cb 0.00 -2.19 -0.01 0.00 2.84 0.00 0.00 34.83 35.47 3icj s MET 35 CO 0.00 0.35 -0.08 -1.59 -0.65 0.00 0.00 175.02 173.05 3icj s LYS 36 N -0.08 0.66 -0.20 4.11 -2.85 -0.15 -0.98 119.74 120.25 3icj s LYS 36 Ca -0.06 -0.34 -0.03 0.00 -1.00 0.00 0.00 55.97 54.54 3icj s LYS 36 Cb -0.14 -0.63 -0.01 0.00 -2.06 0.00 0.00 37.83 34.99 3icj s LYS 36 CO 0.05 0.17 -0.05 0.00 0.10 0.00 0.00 175.35 175.61 3icj s ALA 37 N -0.29 2.82 -0.30 0.59 0.00 -0.26 -0.15 121.76 124.17 3icj s ALA 37 Ca 0.02 -1.09 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 3icj s ALA 37 Cb -0.04 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 3icj s ALA 37 CO -0.00 -0.26 0.44 -0.51 0.00 0.00 0.00 175.76 175.43 3icj s LEU 38 N 1.19 4.20 0.38 0.00 1.43 0.48 -0.04 118.68 126.31 3icj s LEU 38 Ca 0.02 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 3icj s LEU 38 Cb -0.14 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 3icj s LEU 38 CO -0.01 -0.32 0.06 0.27 0.23 0.00 0.00 176.35 176.57 3icj s ILE 39 N 2.21 1.23 -1.47 -0.59 -4.36 -0.10 -0.79 121.20 117.33 3icj s ILE 39 Ca 0.17 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.45 3icj s ILE 39 Cb -0.16 -2.69 0.06 0.00 1.25 0.00 0.00 42.46 40.93 3icj s ILE 39 CO 0.11 0.00 0.94 -3.20 0.24 0.00 0.00 174.94 173.03 3icj n ASN 40 N -0.91 -4.13 -0.91 4.36 5.15 -1.19 -0.93 115.26 116.70 3icj n ASN 40 Ca -0.05 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.16 3icj n ASN 40 Cb 0.66 -4.00 0.00 0.00 -0.53 0.00 0.00 39.78 35.91 3icj n ASN 40 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3icj n GLY 41 N -1.69 2.92 3.23 8.20 0.00 -1.23 -0.31 105.19 116.31 3icj n GLY 41 Ca -0.03 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 3icj n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3icj s THR 42 N -2.55 3.00 -0.25 2.61 2.01 -0.56 -4.32 115.64 115.57 3icj s THR 42 Ca 0.00 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 3icj s THR 42 Cb 0.00 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 70.07 3icj s THR 42 CO 0.00 0.28 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.56 3icj s ILE 43 N 1.37 3.21 -0.22 1.82 1.01 0.01 -0.44 121.20 127.97 3icj s ILE 43 Ca 0.02 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 3icj s ILE 43 Cb -0.16 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.71 3icj s ILE 43 CO -0.05 0.21 1.08 -0.31 0.00 0.00 0.00 174.94 175.87 3icj s TYR 44 N 1.39 3.26 -0.47 3.97 2.02 -0.14 -0.72 117.35 126.67 3icj s TYR 44 Ca 0.02 1.40 0.23 0.00 -0.37 0.00 0.00 57.07 58.34 3icj s TYR 44 Cb -0.16 -3.31 -0.06 0.00 -0.40 0.00 0.00 41.96 38.03 3icj s TYR 44 CO -0.03 -0.67 0.90 0.25 -1.57 0.00 0.00 175.55 174.44 3icj n THR 45 N 5.31 0.18 -3.55 -0.71 -2.24 -0.24 -3.98 114.28 109.05 3icj n THR 45 Ca 0.12 -0.32 -0.15 0.00 -2.27 0.00 0.00 64.05 61.43 3icj n THR 45 Cb 0.46 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 3icj n THR 45 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3icj s SER 46 N -4.18 -0.55 0.00 3.42 0.15 -1.23 -1.09 113.70 110.22 3icj s SER 46 Ca 0.01 0.63 0.05 0.00 0.70 0.00 0.00 55.95 57.33 3icj s SER 46 Cb 0.14 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.94 3icj s SER 46 CO 0.83 -0.49 0.50 0.49 1.20 0.00 0.00 173.24 175.77 3icj n PHE 47 N 0.93 0.00 -3.40 3.44 3.72 -1.26 -1.67 117.46 119.21 3icj n PHE 47 Ca -0.15 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.01 3icj n PHE 47 Cb 0.57 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.01 3icj n PHE 47 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3icj s SER 48 N -0.73 2.05 0.66 4.37 0.15 -1.26 -3.54 113.70 115.40 3icj s SER 48 Ca 0.04 -2.05 -0.11 0.00 0.70 0.00 0.00 55.95 54.54 3icj s SER 48 Cb 0.04 0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.34 3icj s SER 48 CO 0.10 -0.27 1.06 -2.16 1.20 0.00 0.00 173.24 173.17 3icj s PRO 49 N 1.10 3.25 0.13 5.44 0.04 -1.26 -5.08 135.00 138.61 3icj s PRO 49 Ca 0.19 0.66 -0.31 0.00 0.04 0.00 0.00 61.00 61.58 3icj s PRO 49 Cb -0.17 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 3icj s PRO 49 CO -0.02 -0.80 1.79 0.08 0.04 0.00 0.00 177.00 178.08 3icj s VAL 50 N -3.23 2.49 -0.04 -0.36 1.01 -1.23 -4.64 120.40 114.39 3icj s VAL 50 Ca 0.56 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 3icj s VAL 50 Cb -0.11 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.23 3icj s VAL 50 CO 0.53 0.00 0.00 -0.75 0.00 0.00 0.00 175.10 174.88 3icj s LYS 51 N 2.40 0.42 -0.04 2.72 2.20 -0.67 -4.96 119.74 121.82 3icj s LYS 51 Ca 0.79 0.09 0.04 0.00 -0.36 0.00 0.00 55.97 56.53 3icj s LYS 51 Cb -0.46 -0.67 -0.03 0.00 -1.51 0.00 0.00 37.83 35.16 3icj s LYS 51 CO 0.35 -0.19 -0.16 0.15 -0.36 0.00 0.00 175.35 175.14 3icj s LYS 52 N 1.39 2.43 0.34 4.03 1.02 -1.26 -1.08 119.74 126.60 3icj s LYS 52 Ca -0.04 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.25 3icj s LYS 52 Cb -0.13 -2.32 -0.06 0.00 -0.52 0.00 0.00 37.83 34.79 3icj s LYS 52 CO -0.02 0.61 0.06 0.14 -0.92 0.00 0.00 175.35 175.21 3icj s VAL 53 N -0.72 1.26 -0.83 3.17 -7.23 0.10 -4.97 120.40 111.17 3icj s VAL 53 Ca 0.11 -2.00 0.12 0.00 -1.81 0.00 0.00 61.98 58.41 3icj s VAL 53 Cb -0.11 -2.80 -0.07 0.00 0.56 0.00 0.00 36.38 33.96 3icj s VAL 53 CO 0.00 0.00 0.61 -1.54 -0.31 0.00 0.00 175.10 173.86 3icj n SER 54 N -0.73 0.94 -3.82 4.85 3.41 -0.82 -0.81 113.62 116.64 3icj n SER 54 Ca -0.03 -0.97 -0.12 0.00 -0.26 0.00 0.00 58.87 57.49 3icj n SER 54 Cb 0.67 0.76 -0.11 0.00 -0.26 0.00 0.00 64.21 65.26 3icj n SER 54 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3icj s GLY 55 N -1.87 -0.10 -0.07 5.00 0.00 0.25 -3.16 107.32 107.36 3icj s GLY 55 Ca 0.07 0.39 -0.01 0.00 0.00 0.00 0.00 44.72 45.17 3icj s GLY 55 CO 0.41 0.30 -0.00 -2.27 0.00 0.00 0.00 173.10 171.53 3icj s LEU 56 N -0.29 0.67 -0.20 0.66 2.96 0.03 -1.83 118.68 120.69 3icj s LEU 56 Ca -0.04 -0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 3icj s LEU 56 Cb -0.03 -0.43 -0.05 0.00 0.50 0.00 0.00 46.19 46.19 3icj s LEU 56 CO 0.01 -0.18 0.11 -0.69 -1.32 0.00 0.00 176.35 174.28 3icj s VAL 57 N 1.84 5.16 -0.05 1.68 1.01 -0.07 -0.39 120.40 129.58 3icj s VAL 57 Ca 0.03 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.17 3icj s VAL 57 Cb -0.12 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 3icj s VAL 57 CO -0.05 0.43 -0.23 -0.63 0.00 0.00 0.00 175.10 174.62 3icj s ILE 58 N 0.52 1.89 -0.15 2.22 1.01 0.79 0.33 121.20 127.81 3icj s ILE 58 Ca 0.06 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 3icj s ILE 58 Cb -0.12 -1.60 0.04 0.00 0.01 0.00 0.00 42.46 40.79 3icj s ILE 58 CO 0.00 0.53 0.39 -0.94 0.00 0.00 0.00 174.94 174.92 3icj s SER 59 N -0.17 -0.42 -1.46 3.58 1.04 -0.44 -0.98 113.70 114.86 3icj s SER 59 Ca -0.02 0.79 -0.09 0.00 0.48 0.00 0.00 55.95 57.11 3icj s SER 59 Cb -0.13 0.78 0.04 0.00 0.10 0.00 0.00 66.02 66.81 3icj s SER 59 CO 0.03 -0.14 0.78 0.59 0.98 0.00 0.00 173.24 175.48 3icj n ASN 60 N 3.11 -5.32 -1.52 7.02 3.02 -1.15 -2.43 115.26 117.99 3icj n ASN 60 Ca -0.15 -0.48 -0.15 0.00 -0.03 0.00 0.00 54.58 53.77 3icj n ASN 60 Cb 0.57 -4.28 -0.03 0.00 -0.61 0.00 0.00 39.78 35.43 3icj n ASN 60 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3icj n GLU 61 N -4.31 -1.15 -4.21 3.52 1.02 -1.26 -5.02 120.64 109.23 3icj n GLU 61 Ca -0.03 0.85 -0.16 0.00 -0.02 0.00 0.00 57.16 57.80 3icj n GLU 61 Cb 0.57 -5.11 -0.11 0.00 -0.02 0.00 0.00 31.44 26.77 3icj n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3icj s ARG 62 N -4.20 0.95 -0.06 3.49 0.52 -1.02 -1.28 118.95 117.34 3icj s ARG 62 Ca 0.00 -1.22 -0.30 0.00 -0.52 0.00 0.00 55.73 53.69 3icj s ARG 62 Cb 0.00 -0.72 -0.02 0.00 0.52 0.00 0.00 34.95 34.72 3icj s ARG 62 CO 0.00 0.13 1.06 0.08 0.02 0.00 0.00 175.30 176.58 3icj s VAL 63 N -2.35 4.64 -0.21 3.52 1.01 -0.04 -1.32 120.40 125.65 3icj s VAL 63 Ca 0.08 1.91 0.02 0.00 0.00 0.00 0.00 61.98 63.99 3icj s VAL 63 Cb -0.04 -4.23 -0.20 0.00 0.00 0.00 0.00 36.38 31.91 3icj s VAL 63 CO 0.02 0.04 -0.01 -0.11 0.00 0.00 0.00 175.10 175.04 3icj n LEU 64 N 4.75 2.42 -3.71 3.92 7.94 0.15 -0.78 117.00 131.69 3icj n LEU 64 Ca 0.09 -0.01 -0.12 0.00 -1.11 0.00 0.00 56.01 54.85 3icj n LEU 64 Cb 0.48 -0.73 -0.10 0.00 0.53 0.00 0.00 43.42 43.61 3icj n LEU 64 CO 0.53 0.84 0.10 -0.47 -1.11 0.00 0.00 177.39 177.27 3icj s TYR 65 N -2.53 -0.53 -0.12 1.96 5.04 -1.05 -4.85 117.35 115.27 3icj s TYR 65 Ca -0.27 1.22 -0.01 0.00 -2.44 0.00 0.00 57.07 55.57 3icj s TYR 65 Cb 0.08 0.20 0.03 0.00 0.35 0.00 0.00 41.96 42.63 3icj s TYR 65 CO 0.68 -0.27 -0.05 0.00 -1.34 0.00 0.00 175.55 174.57 3icj s ALA 66 N 0.62 1.21 0.00 3.97 0.00 -1.26 -0.89 121.76 125.41 3icj s ALA 66 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3icj s ALA 66 Cb -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.14 3icj s ALA 66 CO -0.04 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.59 3icj n GLY 67 N 4.98 -0.92 3.73 0.00 0.00 -0.76 -4.99 105.19 107.23 3icj n GLY 67 Ca -0.11 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3icj n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3icj n ASP 68 N 0.00 3.85 -0.23 1.61 8.00 -1.26 -0.59 116.55 127.93 3icj n ASP 68 Ca 0.00 1.12 0.03 0.00 0.71 0.00 0.00 54.79 56.65 3icj n ASP 68 Cb 0.00 -1.58 0.15 0.00 -0.02 0.00 0.00 41.12 39.67 3icj n ASP 68 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3icj h SER 69 N 5.38 0.14 -0.60 -2.24 0.87 -1.87 -1.28 113.55 113.95 3icj h SER 69 Ca -0.46 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.14 3icj h SER 69 Cb 1.22 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.28 3icj h SER 69 CO 0.84 0.05 0.08 0.77 -0.53 0.00 0.00 176.83 178.04 3icj h SER 70 N 0.35 0.96 -0.44 6.23 4.64 -1.92 0.32 113.55 123.69 3icj h SER 70 Ca 0.37 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 3icj h SER 70 Cb 0.55 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3icj h SER 70 CO -0.41 0.99 0.20 0.74 -0.87 0.00 0.00 176.83 177.48 3icj h THR 71 N 0.90 1.19 -0.93 2.95 2.02 -1.88 -0.14 112.91 117.02 3icj h THR 71 Ca 0.18 -0.57 0.02 0.00 0.77 0.00 0.00 66.41 66.81 3icj h THR 71 Cb 0.45 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 3icj h THR 71 CO 0.02 0.21 0.61 0.00 0.37 0.00 0.00 175.52 176.73 3icj h ALA 72 N 1.04 1.20 -0.40 6.16 0.00 -1.05 -0.47 119.26 125.73 3icj h ALA 72 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3icj h ALA 72 Cb 0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3icj h ALA 72 CO -0.02 0.54 0.13 1.25 0.00 0.00 0.00 179.25 181.15 3icj h LEU 73 N 1.23 0.59 -0.73 0.00 5.85 -0.61 -2.64 115.31 118.99 3icj h LEU 73 Ca 0.35 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 3icj h LEU 73 Cb -0.09 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3icj h LEU 73 CO -0.09 0.64 0.08 -0.09 -0.34 0.00 0.00 178.44 178.63 3icj h ARG 74 N 0.51 1.05 -0.27 1.25 9.65 -0.66 -0.38 114.38 125.53 3icj h ARG 74 Ca 0.13 -0.28 -0.00 0.00 -1.10 0.00 0.00 59.98 58.72 3icj h ARG 74 Cb 0.26 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 3icj h ARG 74 CO -0.00 0.98 0.16 0.82 2.80 0.00 0.00 179.97 184.72 3icj h ILE 75 N 0.98 1.11 -0.08 1.20 2.04 -1.03 -1.76 117.51 119.96 3icj h ILE 75 Ca 0.19 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 3icj h ILE 75 Cb 0.45 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3icj h ILE 75 CO 0.02 0.10 -0.41 0.00 0.00 0.00 0.00 178.15 177.86 3icj h ALA 76 N 1.05 1.18 -0.48 1.87 0.00 -1.29 -1.27 119.26 120.32 3icj h ALA 76 Ca 0.10 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3icj h ALA 76 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3icj h ALA 76 CO -0.02 0.57 0.12 0.93 0.00 0.00 0.00 179.25 180.85 3icj h GLU 77 N 0.14 0.76 -0.23 0.00 5.08 -0.90 -0.40 114.58 119.03 3icj h GLU 77 Ca 0.01 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 3icj h GLU 77 Cb 0.78 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3icj h GLU 77 CO 0.06 0.74 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.27 3icj h LEU 78 N 0.64 0.66 -0.95 1.33 3.38 -0.88 -3.25 115.31 116.25 3icj h LEU 78 Ca 0.15 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3icj h LEU 78 Cb 0.32 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3icj h LEU 78 CO 0.00 1.03 -0.30 0.00 0.09 0.00 0.00 178.44 179.26 3icj n ALA 79 N -2.52 3.18 -2.84 1.53 0.00 -0.52 -4.98 120.51 114.37 3icj n ALA 79 Ca -0.02 -0.55 -0.10 0.00 0.00 0.00 0.00 53.44 52.77 3icj n ALA 79 Cb 0.56 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 19.10 3icj n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3icj n GLY 80 N 1.36 0.30 3.95 0.00 0.00 -0.38 -5.05 105.19 105.38 3icj n GLY 80 Ca 0.12 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 3icj n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3icj s GLY 81 N -3.06 1.76 0.23 -0.02 0.00 -0.30 -4.94 107.32 100.99 3icj s GLY 81 Ca 0.21 -1.17 -0.30 0.00 0.00 0.00 0.00 44.72 43.46 3icj s GLY 81 CO 0.26 -0.79 1.03 1.85 0.00 0.00 0.00 173.10 175.44 3icj s GLU 82 N -5.04 4.72 -0.27 2.90 2.12 -0.15 -4.80 118.70 118.17 3icj s GLU 82 Ca 0.60 1.64 -0.11 0.00 0.36 0.00 0.00 54.97 57.46 3icj s GLU 82 Cb -0.10 -3.25 -0.05 0.00 0.26 0.00 0.00 34.13 30.99 3icj s GLU 82 CO 0.42 0.30 0.18 0.42 -0.54 0.00 0.00 175.26 176.04 3icj s ILE 83 N -0.90 5.27 -0.32 -3.70 -1.09 -1.26 -1.10 121.20 118.09 3icj s ILE 83 Ca 0.44 0.15 -0.06 0.00 -2.23 0.00 0.00 60.65 58.96 3icj s ILE 83 Cb -0.29 -3.50 0.03 0.00 -1.58 0.00 0.00 42.46 37.13 3icj s ILE 83 CO 0.36 0.28 0.09 -0.63 -1.23 0.00 0.00 174.94 173.80 3icj s ILE 84 N 1.60 3.73 -0.45 2.92 -1.09 0.94 -4.97 121.20 123.88 3icj s ILE 84 Ca 0.07 -1.05 -0.24 0.00 -2.23 0.00 0.00 60.65 57.20 3icj s ILE 84 Cb -0.15 -3.07 0.02 0.00 -1.58 0.00 0.00 42.46 37.68 3icj s ILE 84 CO 0.09 -0.10 0.82 -0.62 -1.23 0.00 0.00 174.94 173.90 3icj s ASP 85 N 1.41 6.45 0.51 3.58 -1.08 -1.26 -0.92 116.67 125.35 3icj s ASP 85 Ca -0.01 -0.01 0.29 0.00 -0.52 0.00 0.00 52.55 52.30 3icj s ASP 85 Cb -0.19 -2.40 1.28 0.00 -1.46 0.00 0.00 42.92 40.15 3icj s ASP 85 CO 0.02 -0.94 1.97 -0.07 0.52 0.00 0.00 175.17 176.67 3icj h LEU 86 N 10.23 0.00 -1.76 -1.34 3.38 -1.21 -3.47 115.31 121.13 3icj h LEU 86 Ca -0.25 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.31 3icj h LEU 86 Cb 1.08 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.90 3icj h LEU 86 CO 0.98 0.13 -0.82 0.29 0.09 0.00 0.00 178.44 179.10 3icj n LYS 87 N -3.37 -5.05 -0.94 1.13 5.02 -1.08 -2.10 118.16 111.78 3icj n LYS 87 Ca -0.01 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 3icj n LYS 87 Cb 0.32 -5.23 0.00 0.00 -0.02 0.00 0.00 35.03 30.10 3icj n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3icj n GLY 88 N -1.54 0.97 3.74 0.72 0.00 0.58 -5.01 105.19 104.64 3icj n GLY 88 Ca -0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 3icj n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3icj s LYS 89 N -0.06 1.28 -0.07 1.61 1.02 -0.89 -4.57 119.74 118.06 3icj s LYS 89 Ca 0.00 0.65 -0.02 0.00 0.02 0.00 0.00 55.97 56.62 3icj s LYS 89 Cb 0.00 -1.82 -0.03 0.00 -0.52 0.00 0.00 37.83 35.45 3icj s LYS 89 CO 0.00 -2.18 0.02 -0.06 -0.92 0.00 0.00 175.35 172.21 3icj s PHE 90 N -3.04 3.21 0.08 3.18 0.08 0.03 -1.49 117.98 120.04 3icj s PHE 90 Ca 0.63 0.22 0.09 0.00 0.12 0.00 0.00 56.93 57.99 3icj s PHE 90 Cb -0.17 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 3icj s PHE 90 CO 0.56 0.51 -0.22 0.08 -0.10 0.00 0.00 175.22 176.05 3icj s VAL 91 N -0.96 2.57 0.09 -0.44 1.01 0.42 0.06 120.40 123.15 3icj s VAL 91 Ca 0.15 -1.45 -0.10 0.00 0.00 0.00 0.00 61.98 60.58 3icj s VAL 91 Cb -0.11 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.16 3icj s VAL 91 CO 0.05 0.21 0.23 0.00 0.00 0.00 0.00 175.10 175.59 3icj s MET 92 N -1.76 0.87 0.36 2.72 0.23 -0.79 -0.97 119.30 119.97 3icj s MET 92 Ca 0.15 -0.89 -0.28 0.00 -1.03 0.00 0.00 55.69 53.64 3icj s MET 92 Cb -0.10 0.36 -0.12 0.00 -1.53 0.00 0.00 34.83 33.44 3icj s MET 92 CO 0.06 -0.29 1.36 -2.30 -2.03 0.00 0.00 175.02 171.82 3icj n PRO 93 N -0.04 2.29 -1.54 3.16 -0.02 -1.26 -1.04 135.00 136.56 3icj n PRO 93 Ca -0.15 0.80 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 3icj n PRO 93 Cb 0.62 -2.45 0.08 0.00 -0.02 0.00 0.00 33.50 31.73 3icj n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3icj s ALA 94 N -1.11 2.22 0.59 3.55 0.00 -0.34 -4.64 121.76 122.02 3icj s ALA 94 Ca 0.55 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 53.14 3icj s ALA 94 Cb -0.53 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 3icj s ALA 94 CO 0.62 -1.71 1.21 -0.06 0.00 0.00 0.00 175.76 175.83 3icj s PHE 95 N -2.04 2.39 -0.23 0.00 0.08 -0.56 -4.75 117.98 112.87 3icj s PHE 95 Ca 0.73 1.51 -0.01 0.00 0.12 0.00 0.00 56.93 59.28 3icj s PHE 95 Cb -0.27 -3.49 0.07 0.00 -0.57 0.00 0.00 43.02 38.76 3icj s PHE 95 CO 0.44 -2.22 0.02 0.12 -0.10 0.00 0.00 175.22 173.47 3icj s PHE 96 N -1.59 1.65 -0.47 0.36 5.99 -0.47 -2.07 117.98 121.39 3icj s PHE 96 Ca 0.77 -1.35 -0.23 0.00 0.00 0.00 0.00 56.93 56.12 3icj s PHE 96 Cb -0.30 -1.37 0.03 0.00 0.00 0.00 0.00 43.02 41.38 3icj s PHE 96 CO 0.33 -0.72 0.81 0.34 -0.00 0.00 0.00 175.22 175.98 3icj s ASP 97 N 1.64 6.39 0.00 6.13 -1.08 -0.68 -4.57 116.67 124.51 3icj s ASP 97 Ca -0.01 -0.19 0.29 0.00 -0.52 0.00 0.00 52.55 52.13 3icj s ASP 97 Cb -0.18 -2.39 1.49 0.00 -1.46 0.00 0.00 42.92 40.38 3icj s ASP 97 CO -0.10 -0.98 2.02 -1.54 0.52 0.00 0.00 175.17 175.09 3icj n SER 98 N 6.84 0.00 -3.27 -0.34 3.41 -1.06 -0.62 113.62 118.58 3icj n SER 98 Ca 0.02 -0.18 -0.05 0.00 -0.26 0.00 0.00 58.87 58.40 3icj n SER 98 Cb 0.48 -0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 3icj n SER 98 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3icj s HIS 99 N -2.53 -1.17 0.33 7.33 5.65 -1.24 -3.85 115.29 119.80 3icj s HIS 99 Ca 0.29 0.85 -0.11 0.00 0.25 0.00 0.00 55.06 56.34 3icj s HIS 99 Cb 0.20 0.10 0.02 0.00 -1.18 0.00 0.00 32.58 31.71 3icj s HIS 99 CO 0.44 -0.89 0.60 -0.48 -0.65 0.00 0.00 174.74 173.75 3icj s LEU 100 N 2.64 0.42 -0.41 8.88 0.05 -0.22 -1.61 118.68 128.44 3icj s LEU 100 Ca 0.13 -1.17 0.04 0.00 0.05 0.00 0.00 54.13 53.17 3icj s LEU 100 Cb -0.14 2.09 0.11 0.00 -2.05 0.00 0.00 46.19 46.21 3icj s LEU 100 CO -0.23 -1.39 0.14 -1.00 -0.55 0.00 0.00 176.35 173.31 3icj s HIS 101 N -3.12 3.40 0.23 3.48 3.76 -0.24 -1.63 115.29 121.18 3icj s HIS 101 Ca 0.22 -3.00 -0.07 0.00 -0.15 0.00 0.00 55.06 52.05 3icj s HIS 101 Cb -0.02 -2.81 0.20 0.00 1.11 0.00 0.00 32.58 31.06 3icj s HIS 101 CO 0.14 -0.86 1.86 -0.07 -0.85 0.00 0.00 174.74 174.96 3icj h LEU 102 N 7.17 1.08 -0.01 0.89 3.38 -1.89 0.18 115.31 126.12 3icj h LEU 102 Ca -0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3icj h LEU 102 Cb 0.97 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3icj h LEU 102 CO 0.58 0.85 0.00 -2.24 0.09 0.00 0.00 178.44 177.72 3icj h ASP 103 N 1.23 0.01 -0.66 -0.43 2.03 -1.92 -1.35 116.42 115.33 3icj h ASP 103 Ca 0.31 -0.18 -0.06 0.00 -0.73 0.00 0.00 57.03 56.38 3icj h ASP 103 Cb -0.02 -0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.45 3icj h ASP 103 CO -0.06 0.19 0.19 -0.33 -1.03 0.00 0.00 179.24 178.20 3icj h GLU 104 N -0.16 1.06 -0.41 4.15 5.08 -1.88 -0.76 114.58 121.65 3icj h GLU 104 Ca 0.00 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3icj h GLU 104 Cb 0.18 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3icj h GLU 104 CO -0.00 0.92 0.27 1.25 -1.00 0.00 0.00 179.01 180.45 3icj h LEU 105 N 1.01 0.47 -0.65 1.33 5.85 -0.60 -1.20 115.31 121.53 3icj h LEU 105 Ca 0.22 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.96 3icj h LEU 105 Cb 0.32 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3icj h LEU 105 CO -0.00 0.34 0.40 1.23 -0.34 0.00 0.00 178.44 180.06 3icj h GLY 106 N 0.55 0.93 0.95 3.75 0.00 -0.87 -1.73 103.07 106.65 3icj h GLY 106 Ca 0.15 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.20 3icj h GLY 106 CO -0.04 0.25 0.53 1.98 0.00 0.00 0.00 176.54 179.26 3icj h MET 107 N 0.78 1.03 -0.70 4.80 1.85 -0.96 -2.65 114.93 119.09 3icj h MET 107 Ca 0.26 -0.06 -0.06 0.00 -0.61 0.00 0.00 59.70 59.23 3icj h MET 107 Cb 0.03 -0.23 -0.03 0.00 0.43 0.00 0.00 31.60 31.79 3icj h MET 107 CO -0.11 0.68 0.21 1.03 -0.40 0.00 0.00 176.91 178.32 3icj h SER 108 N 1.06 1.02 0.11 1.39 0.87 -0.76 -2.18 113.55 115.07 3icj h SER 108 Ca 0.31 -0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 3icj h SER 108 Cb -0.07 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.61 3icj h SER 108 CO -0.09 0.96 -0.25 -0.07 -0.53 0.00 0.00 176.83 176.86 3icj h LEU 109 N 1.03 0.24 0.00 2.23 3.38 -1.19 -3.10 115.31 117.89 3icj h LEU 109 Ca 0.22 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3icj h LEU 109 Cb 0.31 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3icj h LEU 109 CO -0.01 0.50 -0.10 -0.33 0.09 0.00 0.00 178.44 178.59 3icj h GLU 110 N 0.22 0.00 -7.04 1.13 3.07 -1.12 -3.48 114.58 107.36 3icj h GLU 110 Ca 0.04 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.37 3icj h GLU 110 Cb 0.57 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.58 3icj h GLU 110 CO 0.04 0.00 0.53 -1.64 -1.40 0.00 0.00 179.01 176.54 3icj s MET 111 N -3.19 3.35 -0.06 2.33 -1.94 -0.85 -4.92 119.30 114.02 3icj s MET 111 Ca 0.07 1.95 -0.30 0.00 -1.71 0.00 0.00 55.69 55.71 3icj s MET 111 Cb 0.08 -2.24 -0.04 0.00 2.01 0.00 0.00 34.83 34.64 3icj s MET 111 CO 0.66 -0.94 1.27 0.08 -0.01 0.00 0.00 175.02 176.08 3icj s VAL 112 N -1.47 4.12 -0.44 -6.03 1.01 0.19 -4.94 120.40 112.84 3icj s VAL 112 Ca 0.70 1.44 -0.28 0.00 0.00 0.00 0.00 61.98 63.83 3icj s VAL 112 Cb -0.33 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.15 3icj s VAL 112 CO 0.39 -0.03 1.09 -0.62 0.00 0.00 0.00 175.10 175.94 3icj s ASP 113 N 1.70 6.68 -0.14 3.32 -1.08 -1.26 -2.12 116.67 123.78 3icj s ASP 113 Ca 0.58 0.56 0.16 0.00 -0.52 0.00 0.00 52.55 53.33 3icj s ASP 113 Cb -0.26 -2.53 0.42 0.00 -1.46 0.00 0.00 42.92 39.09 3icj s ASP 113 CO 0.22 -1.13 1.32 0.18 0.52 0.00 0.00 175.17 176.28 3icj n LEU 114 N 7.51 3.33 -4.72 -1.34 4.77 -0.53 -4.99 117.00 121.03 3icj n LEU 114 Ca 0.11 -2.86 -0.42 0.00 -0.03 0.00 0.00 56.01 52.81 3icj n LEU 114 Cb 0.48 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3icj n LEU 114 CO 0.68 0.68 0.91 -0.13 -1.33 0.00 0.00 177.39 178.20 3icj s ARG 115 N -2.53 4.43 -0.08 3.23 0.52 -1.24 -3.37 118.95 119.92 3icj s ARG 115 Ca 0.35 1.85 0.00 0.00 -0.52 0.00 0.00 55.73 57.41 3icj s ARG 115 Cb 0.28 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.45 3icj s ARG 115 CO 0.08 -0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.56 3icj n GLY 116 N 3.02 0.48 3.69 -3.53 0.00 -1.26 -5.02 105.19 102.57 3icj n GLY 116 Ca 0.08 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3icj n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3icj s VAL 117 N -1.99 3.83 -0.28 1.61 1.01 -1.22 -4.95 120.40 118.41 3icj s VAL 117 Ca 0.00 1.23 0.23 0.00 0.00 0.00 0.00 61.98 63.44 3icj s VAL 117 Cb 0.00 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 3icj s VAL 117 CO 0.00 0.02 0.92 0.29 0.00 0.00 0.00 175.10 176.33 3icj n LYS 118 N 4.96 0.54 -3.84 2.72 4.76 -1.26 -3.88 118.16 122.16 3icj n LYS 118 Ca 0.12 0.02 -0.09 0.00 -2.87 0.00 0.00 58.31 55.49 3icj n LYS 118 Cb 0.44 -1.71 -0.08 0.00 -1.84 0.00 0.00 35.03 31.85 3icj n LYS 118 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3icj s SER 119 N -4.84 0.07 0.51 4.39 1.04 -1.26 -4.26 113.70 109.35 3icj s SER 119 Ca -0.01 -0.53 0.17 0.00 0.48 0.00 0.00 55.95 56.06 3icj s SER 119 Cb 0.12 0.33 1.25 0.00 0.10 0.00 0.00 66.02 67.82 3icj s SER 119 CO 0.82 -0.67 2.11 -0.03 0.98 0.00 0.00 173.24 176.45 3icj h MET 120 N 3.00 0.00 0.01 4.02 4.05 -1.94 -1.53 114.93 122.54 3icj h MET 120 Ca -0.33 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.09 3icj h MET 120 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 3icj h MET 120 CO 0.53 0.06 -0.00 0.93 0.23 0.00 0.00 176.91 178.65 3icj h GLU 121 N 0.00 -0.01 -0.37 0.39 3.07 -1.97 -0.65 114.58 115.05 3icj h GLU 121 Ca -0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 3icj h GLU 121 Cb 0.10 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 3icj h GLU 121 CO 0.01 0.12 -0.16 1.49 -1.40 0.00 0.00 179.01 179.07 3icj h GLU 122 N -0.14 0.68 -0.25 2.33 4.81 -1.89 -2.12 114.58 118.00 3icj h GLU 122 Ca -0.00 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3icj h GLU 122 Cb 0.13 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3icj h GLU 122 CO 0.00 0.80 0.14 1.25 -0.73 0.00 0.00 179.01 180.48 3icj h LEU 123 N 0.61 0.31 -0.78 1.64 6.46 -1.18 -1.08 115.31 121.29 3icj h LEU 123 Ca 0.10 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 3icj h LEU 123 Cb 0.62 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.43 3icj h LEU 123 CO 0.04 0.29 0.50 0.58 -0.62 0.00 0.00 178.44 179.23 3icj h VAL 124 N 0.30 1.21 -0.76 1.05 2.07 -1.07 -1.78 116.25 117.28 3icj h VAL 124 Ca 0.09 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3icj h VAL 124 Cb 0.05 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 3icj h VAL 124 CO -0.02 0.21 0.48 -0.33 0.02 0.00 0.00 177.57 177.93 3icj h GLU 125 N 1.06 1.02 -0.33 1.57 3.07 -1.18 -1.45 114.58 118.34 3icj h GLU 125 Ca 0.28 -0.08 -0.16 0.00 -0.50 0.00 0.00 59.36 58.91 3icj h GLU 125 Cb -0.09 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.59 3icj h GLU 125 CO -0.06 0.70 -0.42 0.00 -1.40 0.00 0.00 179.01 177.83 3icj h ARG 126 N 1.03 0.83 -0.38 2.33 2.47 -0.95 -2.83 114.38 116.89 3icj h ARG 126 Ca 0.27 -0.45 -0.04 0.00 -1.26 0.00 0.00 59.98 58.50 3icj h ARG 126 Cb -0.07 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 3icj h ARG 126 CO -0.05 1.09 0.06 0.28 0.56 0.00 0.00 179.97 181.91 3icj h VAL 127 N 0.67 1.24 -0.12 2.04 2.07 -1.24 -2.87 116.25 118.04 3icj h VAL 127 Ca 0.05 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3icj h VAL 127 Cb 1.00 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3icj h VAL 127 CO 0.10 0.29 0.10 0.11 0.02 0.00 0.00 177.57 178.18 3icj h LYS 128 N 0.47 0.00 -0.06 1.57 1.57 -1.20 -1.35 116.57 117.57 3icj h LYS 128 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3icj h LYS 128 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3icj h LYS 128 CO 0.01 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.52 3icj n LYS 129 N -4.16 1.15 -2.98 3.15 5.02 -1.08 -4.85 118.16 114.41 3icj n LYS 129 Ca -0.00 -0.24 -0.38 0.00 -2.02 0.00 0.00 58.31 55.67 3icj n LYS 129 Cb 0.21 -1.15 -0.06 0.00 -0.02 0.00 0.00 35.03 34.01 3icj n LYS 129 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3icj s GLY 130 N -1.23 2.82 -0.12 0.72 0.00 -0.51 -5.02 107.32 103.98 3icj s GLY 130 Ca 0.14 0.33 -0.26 0.00 0.00 0.00 0.00 44.72 44.94 3icj s GLY 130 CO 0.11 0.79 0.78 3.21 0.00 0.00 0.00 173.10 177.98 3icj h ARG 131 N 3.86 -0.01 -6.15 2.90 -0.00 -1.89 -3.49 114.38 109.61 3icj h ARG 131 Ca -0.47 0.00 -0.58 0.00 -0.50 0.00 0.00 59.98 58.43 3icj h ARG 131 Cb 1.20 0.00 0.19 0.00 0.00 0.00 0.00 29.97 31.37 3icj h ARG 131 CO 0.66 0.81 -1.13 0.41 0.00 0.00 0.00 179.97 180.72 3icj n GLY 132 N 1.38 -3.13 0.26 0.04 0.00 -1.26 -4.85 105.19 97.63 3icj n GLY 132 Ca -0.09 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.65 3icj n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3icj h ARG 133 N -0.27 0.06 -5.93 1.61 0.11 -1.95 -3.37 114.38 104.65 3icj h ARG 133 Ca -0.43 -0.01 -0.68 0.00 0.10 0.00 0.00 59.98 58.96 3icj h ARG 133 Cb 1.40 -0.01 -0.28 0.00 1.11 0.00 0.00 29.97 32.18 3icj h ARG 133 CO 0.38 0.08 -0.83 0.42 0.10 0.00 0.00 179.97 180.12 3icj s ILE 134 N -5.04 2.57 -0.36 0.08 1.01 -1.26 -4.06 121.20 114.13 3icj s ILE 134 Ca -0.05 -0.88 -0.14 0.00 0.00 0.00 0.00 60.65 59.58 3icj s ILE 134 Cb 0.17 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 3icj s ILE 134 CO 0.68 0.57 0.28 -0.63 0.00 0.00 0.00 174.94 175.83 3icj s ILE 135 N -0.19 5.26 -0.09 2.92 1.01 -0.06 -4.96 121.20 125.08 3icj s ILE 135 Ca -0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.28 3icj s ILE 135 Cb -0.13 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3icj s ILE 135 CO 0.03 -0.11 0.11 -0.36 0.00 0.00 0.00 174.94 174.62 3icj s PHE 136 N 1.76 3.49 0.30 3.97 0.08 -1.26 -1.12 117.98 125.20 3icj s PHE 136 Ca 0.07 0.43 -0.09 0.00 0.12 0.00 0.00 56.93 57.45 3icj s PHE 136 Cb -0.18 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 3icj s PHE 136 CO 0.11 0.67 0.52 0.20 -0.10 0.00 0.00 175.22 176.61 3icj s GLY 137 N -1.14 0.88 0.17 4.36 0.00 -0.77 -0.64 107.32 110.18 3icj s GLY 137 Ca 0.16 -1.11 -0.20 0.00 0.00 0.00 0.00 44.72 43.58 3icj s GLY 137 CO 0.06 -0.73 0.54 -0.11 0.00 0.00 0.00 173.10 172.86 3icj s PHE 138 N -3.41 -0.34 0.00 1.90 -0.12 -0.90 -0.78 117.98 114.33 3icj s PHE 138 Ca 0.25 0.05 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 3icj s PHE 138 Cb -0.01 0.46 0.00 0.00 -0.63 0.00 0.00 43.02 42.84 3icj s PHE 138 CO 0.14 -0.86 0.00 0.41 -0.05 0.00 0.00 175.22 174.86 3icj n GLY 139 N -0.34 0.76 3.80 1.99 0.00 -1.06 -1.45 105.19 108.89 3icj n GLY 139 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 3icj n GLY 139 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3icj s TRP 140 N -2.16 2.91 -0.14 1.61 1.48 -1.24 -3.61 118.94 117.78 3icj s TRP 140 Ca 0.00 1.36 -0.07 0.00 -1.06 0.00 0.00 56.10 56.33 3icj s TRP 140 Cb 0.00 -2.99 0.06 0.00 -1.16 0.00 0.00 33.47 29.38 3icj s TRP 140 CO 0.00 -1.54 0.33 0.34 -4.06 0.00 0.00 176.95 172.02 3icj s ASP 141 N -3.74 -0.23 0.55 -2.66 -1.08 -1.26 -1.46 116.67 106.78 3icj s ASP 141 Ca 0.60 0.73 0.32 0.00 -0.52 0.00 0.00 52.55 53.68 3icj s ASP 141 Cb -0.15 0.72 1.51 0.00 -1.46 0.00 0.00 42.92 43.54 3icj s ASP 141 CO 0.55 -0.20 2.06 0.06 0.52 0.00 0.00 175.17 178.16 3icj h GLN 142 N 7.51 0.00 -0.22 4.34 -0.00 -1.98 -1.63 115.11 123.13 3icj h GLN 142 Ca -0.31 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.19 3icj h GLN 142 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.63 3icj h GLN 142 CO 0.27 0.07 -0.47 -0.44 -0.00 0.00 0.00 178.83 178.26 3icj h ASP 143 N 0.00 0.79 0.26 0.06 3.32 -1.93 -0.86 116.42 118.07 3icj h ASP 143 Ca -0.00 -0.55 -0.12 0.00 0.02 0.00 0.00 57.03 56.38 3icj h ASP 143 Cb 0.41 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3icj h ASP 143 CO 0.01 1.20 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.93 3icj h GLU 144 N 0.42 0.26 0.02 3.56 5.08 -1.77 -3.23 114.58 118.92 3icj h GLU 144 Ca 0.00 -0.14 -0.21 0.00 -1.00 0.00 0.00 59.36 58.02 3icj h GLU 144 Cb 1.08 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3icj h GLU 144 CO 0.10 0.68 -0.93 -0.07 -1.00 0.00 0.00 179.01 177.79 3icj h LEU 145 N 0.21 0.22 0.00 1.33 3.38 -1.30 -3.39 115.31 115.76 3icj h LEU 145 Ca 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3icj h LEU 145 Cb 0.91 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3icj h LEU 145 CO 0.07 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.25 3icj n GLY 146 N 1.01 3.23 3.83 0.83 0.00 -0.37 -4.37 105.19 109.35 3icj n GLY 146 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 3icj n GLY 146 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3icj s ARG 147 N -0.76 1.90 0.25 1.61 1.70 -0.96 -4.95 118.95 117.74 3icj s ARG 147 Ca 0.00 -1.16 -0.30 0.00 -0.47 0.00 0.00 55.73 53.80 3icj s ARG 147 Cb 0.00 0.57 -0.09 0.00 -0.57 0.00 0.00 34.95 34.86 3icj s ARG 147 CO 0.00 -0.88 1.05 -1.58 -1.08 0.00 0.00 175.30 172.80 3icj s TRP 148 N -2.88 3.72 0.45 5.89 0.52 -1.26 -4.50 118.94 120.86 3icj s TRP 148 Ca 0.14 1.76 -0.22 0.00 0.02 0.00 0.00 56.10 57.80 3icj s TRP 148 Cb -0.05 -3.18 -0.08 0.00 -1.15 0.00 0.00 33.47 29.01 3icj s TRP 148 CO 0.09 -0.22 1.08 -1.25 0.02 0.00 0.00 176.95 176.66 3icj s PRO 149 N -1.20 3.92 0.22 4.98 0.04 -1.26 -5.06 135.00 136.64 3icj s PRO 149 Ca 0.44 1.53 0.01 0.00 0.04 0.00 0.00 61.00 63.02 3icj s PRO 149 Cb -0.30 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 3icj s PRO 149 CO 0.37 -0.35 0.05 0.95 0.04 0.00 0.00 177.00 178.06 3icj s THR 150 N -1.73 0.61 0.30 1.26 -4.23 -1.26 -4.97 115.64 105.60 3icj s THR 150 Ca 0.63 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 3icj s THR 150 Cb -0.22 -2.38 0.33 0.00 1.34 0.00 0.00 72.50 71.56 3icj s THR 150 CO 0.27 -0.23 1.63 -0.09 -0.54 0.00 0.00 174.62 175.66 3icj h ARG 151 N 2.54 0.17 -0.67 3.99 2.43 -0.67 -1.74 114.38 120.44 3icj h ARG 151 Ca -0.37 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.70 3icj h ARG 151 Cb 1.23 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 3icj h ARG 151 CO 0.61 0.11 0.09 1.49 -1.51 0.00 0.00 179.97 180.76 3icj h GLU 152 N 0.17 1.12 -0.68 0.20 4.81 -1.85 -0.93 114.58 117.43 3icj h GLU 152 Ca 0.58 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3icj h GLU 152 Cb 1.19 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 3icj h GLU 152 CO -0.69 1.03 0.32 -0.44 -0.73 0.00 0.00 179.01 178.50 3icj h ASP 153 N 1.04 0.86 0.34 1.04 3.32 -1.73 -3.03 116.42 118.25 3icj h ASP 153 Ca 0.20 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3icj h ASP 153 Cb 0.47 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3icj h ASP 153 CO 0.02 0.73 -0.42 0.18 -1.72 0.00 0.00 179.24 178.03 3icj n LEU 154 N -4.34 0.81 0.00 1.55 4.77 -1.01 -3.80 117.00 114.98 3icj n LEU 154 Ca 0.06 -0.17 0.08 0.00 -0.03 0.00 0.00 56.01 55.95 3icj n LEU 154 Cb 0.13 -0.17 0.35 0.00 -2.33 0.00 0.00 43.42 41.40 3icj n LEU 154 CO 0.38 0.17 0.74 0.47 -1.33 0.00 0.00 177.39 177.82 3icj n ASP 155 N -1.08 0.00 0.26 -1.43 8.00 -0.37 -2.29 116.55 119.63 3icj n ASP 155 Ca 0.08 0.36 0.15 0.00 0.71 0.00 0.00 54.79 56.10 3icj n ASP 155 Cb 0.35 -0.43 0.57 0.00 -0.02 0.00 0.00 41.12 41.58 3icj n ASP 155 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3icj h VAL 156 N 0.00 0.15 -3.39 2.53 -1.51 -1.74 -3.43 116.25 108.87 3icj h VAL 156 Ca 0.00 -0.74 -0.58 0.00 -1.23 0.00 0.00 66.70 64.15 3icj h VAL 156 Cb 0.23 1.64 -0.08 0.00 -2.13 0.00 0.00 31.29 30.94 3icj h VAL 156 CO 0.00 0.06 0.10 -0.63 -1.23 0.00 0.00 177.57 175.88 3icj s ILE 157 N -3.61 5.03 -0.77 7.19 1.01 -0.97 -4.99 121.20 124.09 3icj s ILE 157 Ca 0.02 1.24 0.06 0.00 0.00 0.00 0.00 60.65 61.97 3icj s ILE 157 Cb 0.09 -3.96 0.33 0.00 0.01 0.00 0.00 42.46 38.93 3icj s ILE 157 CO 0.58 0.16 1.03 -0.90 0.00 0.00 0.00 174.94 175.81 3icj n ASP 158 N 4.67 2.87 -4.37 3.58 5.75 -1.26 -4.82 116.55 122.96 3icj n ASP 158 Ca -0.02 -2.36 -0.20 0.00 -0.01 0.00 0.00 54.79 52.20 3icj n ASP 158 Cb 0.50 -0.55 -0.10 0.00 -1.03 0.00 0.00 41.12 39.93 3icj n ASP 158 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3icj s ARG 159 N -1.72 1.39 0.40 0.11 0.52 -1.26 -5.13 118.95 113.27 3icj s ARG 159 Ca 0.22 -1.59 -0.27 0.00 -0.52 0.00 0.00 55.73 53.57 3icj s ARG 159 Cb 0.17 -1.31 -0.10 0.00 0.52 0.00 0.00 34.95 34.23 3icj s ARG 159 CO 0.07 0.24 1.45 -2.14 0.02 0.00 0.00 175.30 174.94 3icj s PRO 160 N -3.43 3.97 -0.02 3.54 0.02 -1.26 -4.85 135.00 132.97 3icj s PRO 160 Ca 0.23 2.49 0.02 0.00 0.02 0.00 0.00 61.00 63.75 3icj s PRO 160 Cb -0.03 -2.86 0.01 0.00 0.02 0.00 0.00 34.50 31.64 3icj s PRO 160 CO 0.09 -0.61 -0.05 0.08 -0.33 0.00 0.00 177.00 176.17 3icj s VAL 161 N -1.15 0.50 -0.17 3.83 1.01 -1.26 -0.89 120.40 122.27 3icj s VAL 161 Ca 0.56 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 3icj s VAL 161 Cb -0.45 -0.47 0.08 0.00 0.00 0.00 0.00 36.38 35.54 3icj s VAL 161 CO 0.60 0.17 0.21 0.12 0.00 0.00 0.00 175.10 176.21 3icj s PHE 162 N 0.30 -0.27 -0.22 5.22 5.36 -0.28 -3.06 117.98 125.04 3icj s PHE 162 Ca -0.04 0.39 0.01 0.00 -0.96 0.00 0.00 56.93 56.33 3icj s PHE 162 Cb -0.08 -0.30 0.05 0.00 -0.34 0.00 0.00 43.02 42.35 3icj s PHE 162 CO -0.00 -0.50 -0.08 -0.51 -1.46 0.00 0.00 175.22 172.66 3icj s LEU 163 N 2.33 2.45 0.53 6.12 1.43 0.53 -1.85 118.68 130.21 3icj s LEU 163 Ca 0.05 -1.03 -0.21 0.00 -1.03 0.00 0.00 54.13 51.91 3icj s LEU 163 Cb -0.15 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 3icj s LEU 163 CO -0.10 -0.19 1.24 -0.31 0.23 0.00 0.00 176.35 177.22 3icj s TYR 164 N 1.38 2.54 0.85 0.29 2.02 0.04 -0.85 117.35 123.63 3icj s TYR 164 Ca -0.04 1.48 -0.12 0.00 -0.37 0.00 0.00 57.07 58.02 3icj s TYR 164 Cb -0.17 -3.55 0.10 0.00 -0.40 0.00 0.00 41.96 37.94 3icj s TYR 164 CO -0.07 -2.17 1.11 0.50 -1.57 0.00 0.00 175.55 173.35 3icj s ARG 165 N -2.95 1.62 0.21 -0.62 3.52 0.62 -2.57 118.95 118.77 3icj s ARG 165 Ca 0.70 0.53 -0.15 0.00 -0.13 0.00 0.00 55.73 56.68 3icj s ARG 165 Cb -0.33 -1.87 0.22 0.00 -1.56 0.00 0.00 34.95 31.41 3icj s ARG 165 CO 0.38 -1.92 1.61 0.00 -0.81 0.00 0.00 175.30 174.56 3icj h ARG 166 N -1.30 -0.05 0.00 5.12 3.08 -1.47 -0.84 114.38 118.91 3icj h ARG 166 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3icj h ARG 166 Cb 1.29 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3icj h ARG 166 CO 0.60 -0.04 0.00 0.00 -1.07 0.00 0.00 179.97 179.46 3icj n PHE 168 N -3.02 0.00 1.03 0.00 3.72 -0.32 -4.87 117.46 114.01 3icj n PHE 168 Ca -0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3icj n PHE 168 Cb 0.20 -1.77 0.11 0.00 -0.94 0.00 0.00 39.48 37.07 3icj n PHE 168 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3icj n HIS 169 N -2.29 0.00 -3.96 1.38 8.25 -1.26 -4.93 115.22 112.41 3icj n HIS 169 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 3icj n HIS 169 Cb 0.41 -0.11 -0.11 0.00 1.12 0.00 0.00 29.99 31.29 3icj n HIS 169 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3icj s VAL 170 N -2.87 0.09 0.03 1.59 1.01 -1.26 -3.34 120.40 115.64 3icj s VAL 170 Ca 0.13 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 3icj s VAL 170 Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 3icj s VAL 170 CO 0.72 -0.42 -0.03 0.00 0.00 0.00 0.00 175.10 175.38 3icj s ALA 171 N -1.22 0.19 0.03 5.51 0.00 -0.88 -0.28 121.76 125.10 3icj s ALA 171 Ca -0.13 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.17 3icj s ALA 171 Cb -0.08 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3icj s ALA 171 CO -0.01 -0.21 -0.15 0.54 0.00 0.00 0.00 175.76 175.93 3icj s VAL 172 N -1.99 2.98 0.09 0.00 0.11 -0.03 -1.37 120.40 120.19 3icj s VAL 172 Ca -0.11 -1.07 0.01 0.00 -2.93 0.00 0.00 61.98 57.88 3icj s VAL 172 Cb -0.06 -2.26 -0.04 0.00 -1.53 0.00 0.00 36.38 32.49 3icj s VAL 172 CO -0.03 0.37 -0.05 0.00 -3.33 0.00 0.00 175.10 172.06 3icj s MET 173 N -1.39 0.80 0.62 1.54 0.23 -0.13 -0.35 119.30 120.61 3icj s MET 173 Ca 0.15 -1.32 -0.02 0.00 -1.03 0.00 0.00 55.69 53.47 3icj s MET 173 Cb -0.11 -0.08 0.12 0.00 -1.53 0.00 0.00 34.83 33.24 3icj s MET 173 CO 0.05 -0.06 0.84 0.27 -2.03 0.00 0.00 175.02 174.10 3icj n ASN 174 N -0.02 0.98 -0.25 -1.18 0.23 -1.17 -3.82 115.26 110.03 3icj n ASN 174 Ca -0.12 -1.86 -0.07 0.00 -0.53 0.00 0.00 54.58 52.00 3icj n ASN 174 Cb 0.61 -0.56 0.04 0.00 -2.08 0.00 0.00 39.78 37.80 3icj n ASN 174 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3icj h SER 175 N -0.59 0.95 -0.55 0.53 0.02 -1.90 -1.79 113.55 110.22 3icj h SER 175 Ca -0.28 -0.18 0.06 0.00 -0.84 0.00 0.00 61.79 60.55 3icj h SER 175 Cb 0.99 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 3icj h SER 175 CO 0.28 0.87 0.26 0.11 -1.14 0.00 0.00 176.83 177.22 3icj h LYS 176 N 0.98 0.49 -0.44 3.45 1.57 -1.95 0.03 116.57 120.70 3icj h LYS 176 Ca 0.23 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3icj h LYS 176 Cb 0.22 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3icj h LYS 176 CO -0.02 0.32 0.03 1.98 -0.57 0.00 0.00 179.45 181.20 3icj h MET 177 N 0.50 0.76 -0.72 3.15 4.05 -1.80 -2.37 114.93 118.51 3icj h MET 177 Ca 0.25 -0.23 0.07 0.00 -0.28 0.00 0.00 59.70 59.51 3icj h MET 177 Cb 0.19 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 30.85 3icj h MET 177 CO -0.19 0.81 0.40 0.82 0.23 0.00 0.00 176.91 178.98 3icj h ILE 178 N 0.61 0.95 -0.42 1.77 2.04 -0.79 -2.10 117.51 119.58 3icj h ILE 178 Ca 0.13 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3icj h ILE 178 Cb 0.45 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3icj h ILE 178 CO 0.02 0.13 0.05 0.44 0.00 0.00 0.00 178.15 178.79 3icj h ASP 179 N 0.72 0.60 0.44 1.72 3.32 -0.83 -2.25 116.42 120.15 3icj h ASP 179 Ca 0.33 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.12 3icj h ASP 179 Cb 0.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3icj h ASP 179 CO -0.20 0.64 -0.62 -0.07 -1.72 0.00 0.00 179.24 177.27 3icj h LEU 180 N 0.62 0.20 0.13 1.55 3.38 -0.89 -3.33 115.31 116.96 3icj h LEU 180 Ca 0.13 -0.12 -0.25 0.00 0.09 0.00 0.00 57.88 57.73 3icj h LEU 180 Cb 0.32 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 41.04 3icj h LEU 180 CO 0.01 0.77 -1.07 -0.07 0.09 0.00 0.00 178.44 178.16 3icj h LEU 181 N 0.13 0.73 -1.51 1.67 3.38 -0.98 -3.49 115.31 115.24 3icj h LEU 181 Ca -0.01 -0.86 -0.46 0.00 0.09 0.00 0.00 57.88 56.64 3icj h LEU 181 Cb 1.12 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3icj h LEU 181 CO 0.09 1.51 -0.82 0.59 0.09 0.00 0.00 178.44 179.91 3icj n ASN 182 N -3.93 -2.29 -4.77 -0.43 5.03 -0.88 -4.95 115.26 103.04 3icj n ASN 182 Ca -0.14 -0.86 -0.38 0.00 0.87 0.00 0.00 54.58 54.07 3icj n ASN 182 Cb 0.91 -3.71 0.00 0.00 -1.02 0.00 0.00 39.78 35.97 3icj n ASN 182 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3icj s LEU 183 N -6.97 4.06 0.42 3.41 1.43 -1.26 -5.02 118.68 114.75 3icj s LEU 183 Ca 0.26 2.49 -0.23 0.00 -1.03 0.00 0.00 54.13 55.63 3icj s LEU 183 Cb -0.13 -4.13 -0.09 0.00 0.03 0.00 0.00 46.19 41.87 3icj s LEU 183 CO 0.84 -0.99 1.03 -0.54 0.23 0.00 0.00 176.35 176.92 3icj s LYS 184 N -2.56 4.11 0.29 1.70 1.02 -1.26 -4.99 119.74 118.05 3icj s LYS 184 Ca 0.62 1.43 -0.30 0.00 0.02 0.00 0.00 55.97 57.74 3icj s LYS 184 Cb -0.34 -2.42 -0.13 0.00 -0.52 0.00 0.00 37.83 34.43 3icj s LYS 184 CO 0.41 -0.17 1.39 -2.30 -0.92 0.00 0.00 175.35 173.76 3icj n PRO 185 N -0.30 2.17 -3.92 -1.68 -0.02 -1.26 -4.95 135.00 125.04 3icj n PRO 185 Ca 0.06 0.77 -0.08 0.00 -2.02 0.00 0.00 63.50 62.23 3icj n PRO 185 Cb 0.51 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 3icj n PRO 185 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3icj s SER 186 N 0.09 -0.17 0.00 2.55 1.04 -1.26 -5.02 113.70 110.93 3icj s SER 186 Ca 0.63 -0.77 0.13 0.00 0.48 0.00 0.00 55.95 56.42 3icj s SER 186 Cb -0.60 0.64 0.62 0.00 0.10 0.00 0.00 66.02 66.79 3icj s SER 186 CO 0.54 -1.22 1.39 2.29 0.98 0.00 0.00 173.24 177.22 3icj n LYS 187 N -0.41 0.09 0.00 4.02 -0.00 -1.26 -2.31 118.16 118.29 3icj n LYS 187 Ca -0.03 0.22 0.12 0.00 -0.00 0.00 0.00 58.31 58.62 3icj n LYS 187 Cb 0.61 -1.50 0.20 0.00 -0.00 0.00 0.00 35.03 34.34 3icj n LYS 187 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3icj n ASP 188 N -1.40 1.92 -3.95 -5.58 8.00 -1.26 -4.86 116.55 109.42 3icj n ASP 188 Ca 0.05 -1.47 -0.28 0.00 0.71 0.00 0.00 54.79 53.80 3icj n ASP 188 Cb 0.13 0.21 -0.17 0.00 -0.02 0.00 0.00 41.12 41.27 3icj n ASP 188 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3icj s PHE 189 N -2.30 1.73 -0.51 1.24 5.36 -0.98 -0.79 117.98 121.73 3icj s PHE 189 Ca 0.25 -0.91 -0.12 0.00 -0.96 0.00 0.00 56.93 55.19 3icj s PHE 189 Cb 0.19 -1.36 0.13 0.00 -0.34 0.00 0.00 43.02 41.64 3icj s PHE 189 CO 0.46 -0.57 0.42 -0.51 -1.46 0.00 0.00 175.22 173.56 3icj s ASP 190 N 1.63 5.93 0.29 6.13 1.01 -0.41 -4.52 116.67 126.73 3icj s ASP 190 Ca 0.05 -1.90 0.00 0.00 0.71 0.00 0.00 52.55 51.42 3icj s ASP 190 Cb -0.13 -2.10 0.45 0.00 1.01 0.00 0.00 42.92 42.15 3icj s ASP 190 CO -0.09 -0.76 1.82 -0.33 0.21 0.00 0.00 175.17 176.03 3icj h GLU 191 N 8.60 0.72 -0.49 8.23 5.08 -1.95 0.99 114.58 135.76 3icj h GLU 191 Ca -0.24 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 57.92 3icj h GLU 191 Cb 1.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 3icj h GLU 191 CO 0.93 0.70 0.14 0.66 -1.00 0.00 0.00 179.01 180.44 3icj h SER 192 N 0.69 0.67 -0.00 1.42 4.64 -1.97 -3.17 113.55 115.83 3icj h SER 192 Ca 0.15 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3icj h SER 192 Cb 0.35 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3icj h SER 192 CO 0.01 0.65 -0.80 0.35 -0.87 0.00 0.00 176.83 176.17 3icj n THR 193 N -4.31 0.00 -1.92 2.95 -2.24 -1.14 -4.65 114.28 102.97 3icj n THR 193 Ca 0.04 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 3icj n THR 193 Cb 0.20 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.43 3icj n THR 193 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3icj n GLY 194 N 1.40 0.29 3.69 3.38 0.00 0.30 -0.18 105.19 114.08 3icj n GLY 194 Ca 0.04 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 3icj n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3icj s ILE 195 N -2.40 4.98 0.07 -0.61 1.01 -0.94 -0.96 121.20 122.36 3icj s ILE 195 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.77 3icj s ILE 195 Cb 0.00 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 3icj s ILE 195 CO 0.00 0.49 -0.25 0.68 0.00 0.00 0.00 174.94 175.86 3icj s VAL 196 N 0.07 2.04 0.18 2.92 -7.23 -0.47 -1.29 120.40 116.61 3icj s VAL 196 Ca 0.07 -1.46 0.04 0.00 -1.81 0.00 0.00 61.98 58.82 3icj s VAL 196 Cb -0.12 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 3icj s VAL 196 CO 0.00 0.23 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.82 3icj s ARG 197 N -1.50 1.17 1.35 4.82 0.52 0.03 -2.08 118.95 123.26 3icj s ARG 197 Ca 0.11 -1.53 0.00 0.00 -0.52 0.00 0.00 55.73 53.79 3icj s ARG 197 Cb -0.10 -0.64 0.00 0.00 0.52 0.00 0.00 34.95 34.73 3icj s ARG 197 CO 0.03 0.02 0.00 0.39 0.02 0.00 0.00 175.30 175.76 3icj n GLU 198 N -0.28 0.00 -0.18 3.54 1.02 -1.21 -1.41 120.64 122.12 3icj n GLU 198 Ca -0.08 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.99 3icj n GLU 198 Cb 0.62 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.06 3icj n GLU 198 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3icj h ARG 199 N 0.00 0.72 0.00 3.49 -0.00 -1.95 -2.49 114.38 114.15 3icj h ARG 199 Ca 0.00 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.98 59.30 3icj h ARG 199 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 29.80 3icj h ARG 199 CO 0.00 0.51 -0.55 0.00 0.00 0.00 0.00 179.97 179.94 3icj h ALA 200 N 1.16 0.94 -0.13 0.04 0.00 -1.51 0.44 119.26 120.20 3icj h ALA 200 Ca 0.19 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3icj h ALA 200 Cb -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3icj h ALA 200 CO -0.04 0.68 -0.03 1.25 0.00 0.00 0.00 179.25 181.12 3icj h LEU 201 N 0.00 0.25 -0.47 0.00 5.85 -1.31 -0.00 115.31 119.62 3icj h LEU 201 Ca -0.01 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 58.43 3icj h LEU 201 Cb 1.07 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.97 3icj h LEU 201 CO 0.07 0.56 0.08 -0.33 -0.34 0.00 0.00 178.44 178.48 3icj h GLU 202 N -0.07 0.20 -0.75 1.25 5.08 -0.92 -0.69 114.58 118.68 3icj h GLU 202 Ca 0.03 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3icj h GLU 202 Cb 0.45 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3icj h GLU 202 CO 0.01 0.13 0.28 1.49 -1.00 0.00 0.00 179.01 179.93 3icj h GLU 203 N 0.21 1.13 -0.39 2.33 4.57 -0.95 -1.70 114.58 119.79 3icj h GLU 203 Ca 0.24 -0.22 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 3icj h GLU 203 Cb 0.32 -0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 3icj h GLU 203 CO -0.32 0.94 0.07 0.77 -1.18 0.00 0.00 179.01 179.28 3icj h SER 204 N 1.09 -0.01 -0.32 1.04 0.02 -0.57 -0.49 113.55 114.31 3icj h SER 204 Ca 0.25 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.29 3icj h SER 204 Cb 0.24 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 3icj h SER 204 CO -0.02 0.03 0.16 0.03 -1.14 0.00 0.00 176.83 175.89 3icj h ARG 205 N 0.19 0.32 -0.41 3.45 3.08 -0.96 -0.63 114.38 119.42 3icj h ARG 205 Ca 0.19 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.23 3icj h ARG 205 Cb 0.23 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3icj h ARG 205 CO -0.25 0.21 0.26 -0.22 -1.07 0.00 0.00 179.97 178.90 3icj h LYS 206 N 0.33 0.51 -0.47 0.04 3.64 -0.88 -0.37 116.57 119.36 3icj h LYS 206 Ca 0.13 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 3icj h LYS 206 Cb 0.04 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3icj h LYS 206 CO -0.09 0.34 0.02 0.82 -2.27 0.00 0.00 179.45 178.27 3icj h ILE 207 N 0.53 1.26 -0.18 2.00 2.04 -0.91 -0.64 117.51 121.61 3icj h ILE 207 Ca 0.16 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.04 3icj h ILE 207 Cb -0.03 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3icj h ILE 207 CO -0.06 0.36 -0.05 0.40 0.00 0.00 0.00 178.15 178.80 3icj h ILE 208 N 0.68 0.80 -0.29 -0.67 2.04 -0.84 0.10 117.51 119.33 3icj h ILE 208 Ca 0.14 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.86 3icj h ILE 208 Cb 0.47 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3icj h ILE 208 CO 0.02 0.00 -0.38 0.78 0.00 0.00 0.00 178.15 178.57 3icj h ASN 209 N -0.01 0.71 0.08 1.72 2.35 -0.89 -1.35 115.58 118.19 3icj h ASN 209 Ca 0.09 -0.31 -0.37 0.00 -0.55 0.00 0.00 56.30 55.16 3icj h ASN 209 Cb 0.15 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 3icj h ASN 209 CO -0.19 1.01 -2.23 -0.62 -1.65 0.00 0.00 177.43 173.75 3icj n GLU 210 N -4.05 0.70 -0.14 0.81 1.02 -0.26 -4.65 120.64 114.07 3icj n GLU 210 Ca -0.02 0.19 -0.27 0.00 -0.02 0.00 0.00 57.16 57.05 3icj n GLU 210 Cb 0.51 -1.61 -0.11 0.00 -0.02 0.00 0.00 31.44 30.21 3icj n GLU 210 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3icj n LYS 211 N -3.30 0.61 -0.08 3.49 4.81 0.32 -4.86 118.16 119.14 3icj n LYS 211 Ca -0.37 0.23 -0.16 0.00 -0.87 0.00 0.00 58.31 57.14 3icj n LYS 211 Cb 1.03 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 34.47 3icj n LYS 211 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3icj h ILE 212 N -0.74 1.21 -3.99 3.15 2.04 -1.32 -3.46 117.51 114.39 3icj h ILE 212 Ca -0.67 -2.13 -0.54 0.00 1.00 0.00 0.00 64.86 62.52 3icj h ILE 212 Cb 1.69 2.50 0.11 0.00 -0.74 0.00 0.00 36.82 40.39 3icj h ILE 212 CO -0.34 0.41 0.66 -0.76 0.00 0.00 0.00 178.15 178.11 3icj s LEU 213 N -8.08 4.08 0.46 1.44 1.43 -0.52 -5.03 118.68 112.45 3icj s LEU 213 Ca -0.22 2.81 0.08 0.00 -1.03 0.00 0.00 54.13 55.76 3icj s LEU 213 Cb 0.01 -4.00 0.01 0.00 0.03 0.00 0.00 46.19 42.24 3icj s LEU 213 CO 0.58 -1.16 0.46 0.42 0.23 0.00 0.00 176.35 176.88 3icj s THR 214 N -1.25 2.48 0.18 5.49 -4.23 -1.26 -4.87 115.64 112.18 3icj s THR 214 Ca 0.62 -1.28 -0.13 0.00 -1.18 0.00 0.00 61.69 59.72 3icj s THR 214 Cb -0.41 -2.76 0.08 0.00 1.34 0.00 0.00 72.50 70.75 3icj s THR 214 CO 0.52 0.00 1.78 0.58 -0.54 0.00 0.00 174.62 176.96 3icj h VAL 215 N 0.83 0.94 -0.68 2.29 2.07 -1.96 -2.01 116.25 117.72 3icj h VAL 215 Ca -0.39 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.02 3icj h VAL 215 Cb 1.28 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 3icj h VAL 215 CO 0.54 0.09 0.38 0.11 0.02 0.00 0.00 177.57 178.71 3icj h LYS 216 N 0.49 0.68 -0.62 1.57 1.57 -1.95 -0.71 116.57 117.59 3icj h LYS 216 Ca 0.23 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 3icj h LYS 216 Cb 0.15 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 3icj h LYS 216 CO -0.17 0.45 0.35 -0.44 -0.57 0.00 0.00 179.45 179.07 3icj h ASP 217 N 0.70 0.52 -0.31 0.86 3.32 -1.86 -1.97 116.42 117.68 3icj h ASP 217 Ca 0.30 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 3icj h ASP 217 Cb 0.19 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3icj h ASP 217 CO -0.18 0.34 -0.08 1.88 -1.72 0.00 0.00 179.24 179.48 3icj h TYR 218 N 0.65 0.77 -0.57 4.55 -1.99 -0.61 -1.32 116.97 118.45 3icj h TYR 218 Ca 0.27 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.88 3icj h TYR 218 Cb 0.15 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.64 3icj h TYR 218 CO -0.08 0.76 0.36 0.87 -0.00 0.00 0.00 178.16 180.08 3icj h LYS 219 N 0.65 0.76 -0.18 4.88 1.57 -0.82 -0.67 116.57 122.76 3icj h LYS 219 Ca 0.12 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3icj h LYS 219 Cb 0.52 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3icj h LYS 219 CO 0.03 0.53 0.08 1.25 -0.57 0.00 0.00 179.45 180.76 3icj h HIS 220 N 0.77 0.27 -0.37 -1.35 2.76 -1.07 -0.29 115.15 115.88 3icj h HIS 220 Ca 0.21 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.41 3icj h HIS 220 Cb -0.06 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 28.78 3icj h HIS 220 CO -0.03 0.32 0.11 1.88 -1.30 0.00 0.00 177.93 178.91 3icj h TYR 221 N 0.14 0.19 -0.50 5.26 0.05 -1.04 -0.46 116.97 120.61 3icj h TYR 221 Ca 0.06 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 3icj h TYR 221 Cb 0.16 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 3icj h TYR 221 CO -0.02 0.06 0.15 0.82 -1.05 0.00 0.00 178.16 178.13 3icj h ILE 222 N 0.25 1.23 -0.68 -2.88 2.04 -1.01 -1.39 117.51 115.07 3icj h ILE 222 Ca 0.17 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 3icj h ILE 222 Cb 0.17 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3icj h ILE 222 CO -0.20 0.29 0.26 -0.33 0.00 0.00 0.00 178.15 178.17 3icj h GLU 223 N 0.68 1.01 -0.32 2.37 5.08 -0.78 -0.81 114.58 121.80 3icj h GLU 223 Ca 0.16 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3icj h GLU 223 Cb 0.28 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3icj h GLU 223 CO -0.00 0.83 0.14 0.77 -1.00 0.00 0.00 179.01 179.75 3icj h SER 224 N 0.99 0.43 -0.55 1.42 0.02 -0.82 -1.71 113.55 113.33 3icj h SER 224 Ca 0.23 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 3icj h SER 224 Cb 0.20 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 3icj h SER 224 CO -0.02 0.46 0.31 0.00 -1.14 0.00 0.00 176.83 176.43 3icj h ALA 225 N 0.99 0.71 -0.38 3.77 0.00 -1.13 -2.33 119.26 120.89 3icj h ALA 225 Ca 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3icj h ALA 225 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3icj h ALA 225 CO -0.01 -0.01 0.17 0.37 0.00 0.00 0.00 179.25 179.77 3icj h GLN 226 N 0.60 0.57 -0.98 0.00 4.15 -1.05 0.28 115.11 118.67 3icj h GLN 226 Ca 0.23 -0.09 0.04 0.00 0.77 0.00 0.00 58.65 59.60 3icj h GLN 226 Cb 0.09 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.63 3icj h GLN 226 CO -0.13 0.52 0.64 0.93 -1.93 0.00 0.00 178.83 178.86 3icj h GLU 227 N 0.48 1.19 -0.15 1.69 4.39 -1.26 -1.09 114.58 119.82 3icj h GLU 227 Ca 0.13 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 3icj h GLU 227 Cb 0.16 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3icj h GLU 227 CO -0.01 0.79 -0.09 1.25 -1.16 0.00 0.00 179.01 179.78 3icj h HIS 228 N 1.23 0.39 -0.45 4.33 2.76 -1.01 -2.73 115.15 119.67 3icj h HIS 228 Ca 0.40 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.42 3icj h HIS 228 Cb 0.03 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 3icj h HIS 228 CO -0.00 0.67 0.09 -0.07 -1.30 0.00 0.00 177.93 177.33 3icj h LEU 229 N -0.00 0.69 -0.69 0.26 3.38 -0.76 -2.83 115.31 115.35 3icj h LEU 229 Ca 0.03 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3icj h LEU 229 Cb 0.58 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3icj h LEU 229 CO 0.03 0.75 0.45 -0.07 0.09 0.00 0.00 178.44 179.69 3icj h LEU 230 N 0.59 0.76 -2.25 1.67 3.38 -1.23 -1.08 115.31 117.15 3icj h LEU 230 Ca 0.14 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3icj h LEU 230 Cb 0.34 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3icj h LEU 230 CO 0.00 0.54 -0.05 0.77 0.09 0.00 0.00 178.44 179.79 3icj h SER 231 N 0.90 0.00 -0.14 -0.43 4.64 -1.33 -0.99 113.55 116.19 3icj h SER 231 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3icj h SER 231 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3icj h SER 231 CO -0.07 0.05 0.00 0.18 -0.87 0.00 0.00 176.83 176.12 3icj n LEU 232 N -3.53 1.73 0.00 5.97 4.77 -0.74 -4.96 117.00 120.25 3icj n LEU 232 Ca -0.02 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 3icj n LEU 232 Cb 0.17 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3icj n LEU 232 CO 0.27 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3icj n GLY 233 N 1.16 0.51 3.56 -0.72 0.00 -0.37 -4.69 105.19 104.63 3icj n GLY 233 Ca 0.17 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 3icj n GLY 233 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3icj s VAL 234 N -2.00 5.27 -0.77 1.61 1.01 -0.49 -1.50 120.40 123.54 3icj s VAL 234 Ca 0.00 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.10 3icj s VAL 234 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3icj s VAL 234 CO 0.00 0.09 0.56 1.41 0.00 0.00 0.00 175.10 177.16 3icj n HIS 235 N 5.14 0.00 -3.83 5.22 8.25 -0.88 -3.47 115.22 125.65 3icj n HIS 235 Ca -0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.22 3icj n HIS 235 Cb 0.51 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.50 3icj n HIS 235 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3icj s SER 236 N -1.55 -0.12 0.01 0.41 0.01 -1.23 -1.01 113.70 110.23 3icj s SER 236 Ca 0.07 0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.48 3icj s SER 236 Cb 0.08 0.32 -0.01 0.00 0.21 0.00 0.00 66.02 66.62 3icj s SER 236 CO 0.30 -0.18 0.00 0.68 0.41 0.00 0.00 173.24 174.45 3icj s VAL 237 N -0.46 0.06 -0.39 3.43 -7.23 -0.14 -1.69 120.40 113.98 3icj s VAL 237 Ca -0.05 -0.50 -0.21 0.00 -1.81 0.00 0.00 61.98 59.41 3icj s VAL 237 Cb -0.04 -0.17 0.01 0.00 0.56 0.00 0.00 36.38 36.74 3icj s VAL 237 CO 0.01 -0.27 0.65 -0.83 -0.31 0.00 0.00 175.10 174.35 3icj s GLY 238 N -0.81 1.72 -0.45 2.32 0.00 0.21 -1.17 107.32 109.14 3icj s GLY 238 Ca -0.09 -1.00 -0.19 0.00 0.00 0.00 0.00 44.72 43.44 3icj s GLY 238 CO -0.00 1.53 0.58 -0.12 0.00 0.00 0.00 173.10 175.08 3icj s PHE 239 N 2.80 3.09 0.22 1.90 5.36 -0.03 -1.05 117.98 130.27 3icj s PHE 239 Ca 0.24 -0.27 -0.05 0.00 -0.96 0.00 0.00 56.93 55.90 3icj s PHE 239 Cb -0.14 -3.26 -0.05 0.00 -0.34 0.00 0.00 43.02 39.22 3icj s PHE 239 CO 0.17 -0.86 0.47 -1.64 -1.46 0.00 0.00 175.22 171.89 3icj s MET 240 N 2.58 3.63 -1.24 10.12 -1.94 -0.65 -0.12 119.30 131.68 3icj s MET 240 Ca 0.18 -0.06 -0.01 0.00 -1.71 0.00 0.00 55.69 54.09 3icj s MET 240 Cb -0.16 -2.75 -0.01 0.00 2.01 0.00 0.00 34.83 33.93 3icj s MET 240 CO 0.16 0.34 0.82 0.43 -0.01 0.00 0.00 175.02 176.76 3icj n SER 241 N -0.45 -2.04 -4.62 3.03 7.64 -0.58 -4.73 113.62 111.87 3icj n SER 241 Ca -0.02 -0.75 -0.43 0.00 1.01 0.00 0.00 58.87 58.68 3icj n SER 241 Cb 0.53 -4.49 -0.02 0.00 -1.01 0.00 0.00 64.21 59.22 3icj n SER 241 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3icj s VAL 242 N -3.53 4.27 0.32 0.44 1.01 -0.75 -4.70 120.40 117.46 3icj s VAL 242 Ca 0.05 1.38 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 3icj s VAL 242 Cb -0.01 -4.44 0.07 0.00 0.00 0.00 0.00 36.38 31.99 3icj s VAL 242 CO 0.78 -0.73 0.43 0.61 0.00 0.00 0.00 175.10 176.19 3icj n GLY 243 N 4.46 0.06 0.34 4.51 0.00 -1.26 -0.49 105.19 112.80 3icj n GLY 243 Ca 0.13 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 3icj n GLY 243 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3icj h GLU 244 N 0.00 -0.49 -0.23 1.61 4.39 -1.96 -1.61 114.58 116.30 3icj h GLU 244 Ca -0.14 0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.43 3icj h GLU 244 Cb 0.47 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3icj h GLU 244 CO 0.13 -0.32 -0.53 0.87 -1.16 0.00 0.00 179.01 178.00 3icj h LYS 245 N -0.51 0.66 -0.53 2.33 1.57 -1.95 -1.73 116.57 116.41 3icj h LYS 245 Ca 0.05 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3icj h LYS 245 Cb 0.56 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3icj h LYS 245 CO -0.23 1.02 0.33 0.00 -0.57 0.00 0.00 179.45 180.00 3icj h ALA 246 N 0.90 0.67 -0.20 3.86 0.00 -1.93 -0.64 119.26 121.92 3icj h ALA 246 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3icj h ALA 246 Cb 1.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3icj h ALA 246 CO 0.11 0.14 0.08 1.25 0.00 0.00 0.00 179.25 180.83 3icj h LEU 247 N 0.71 0.11 -1.05 0.00 5.85 -1.23 -0.75 115.31 118.94 3icj h LEU 247 Ca 0.19 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.02 3icj h LEU 247 Cb -0.03 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 3icj h LEU 247 CO -0.04 0.09 0.63 0.11 -0.34 0.00 0.00 178.44 178.89 3icj h LYS 248 N 0.18 1.01 -0.51 1.25 1.57 -1.14 -1.16 116.57 117.78 3icj h LYS 248 Ca 0.09 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3icj h LYS 248 Cb 0.04 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3icj h LYS 248 CO -0.08 0.67 -0.04 0.00 -0.57 0.00 0.00 179.45 179.43 3icj h ALA 249 N 1.51 0.69 -0.46 3.86 0.00 -0.84 -2.72 119.26 121.30 3icj h ALA 249 Ca 0.45 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3icj h ALA 249 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3icj h ALA 249 CO -0.21 0.55 0.03 -0.07 0.00 0.00 0.00 179.25 179.54 3icj h LEU 250 N 0.80 0.77 -0.84 0.00 3.38 -0.36 -0.58 115.31 118.48 3icj h LEU 250 Ca 0.14 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3icj h LEU 250 Cb 0.58 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3icj h LEU 250 CO 0.03 0.87 0.52 -0.26 0.09 0.00 0.00 178.44 179.70 3icj h PHE 251 N 0.65 1.10 -0.11 1.13 0.04 -1.28 -0.98 116.94 117.49 3icj h PHE 251 Ca 0.13 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 3icj h PHE 251 Cb 0.46 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 3icj h PHE 251 CO 0.03 0.72 -0.01 1.49 -0.60 0.00 0.00 178.31 179.95 3icj h GLU 252 N 1.15 0.21 -0.68 1.51 4.81 -1.31 -2.04 114.58 118.23 3icj h GLU 252 Ca 0.30 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.51 3icj h GLU 252 Cb -0.06 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 3icj h GLU 252 CO -0.06 0.48 0.39 -0.07 -0.73 0.00 0.00 179.01 179.02 3icj h LEU 253 N -0.08 0.60 0.37 1.64 3.38 -1.01 -0.66 115.31 119.56 3icj h LEU 253 Ca 0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3icj h LEU 253 Cb 0.39 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3icj h LEU 253 CO 0.01 0.40 -0.38 -0.08 0.09 0.00 0.00 178.44 178.48 3icj h GLU 254 N 0.74 -0.74 0.00 1.13 4.57 -1.11 0.64 114.58 119.80 3icj h GLU 254 Ca 0.29 0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.49 3icj h GLU 254 Cb 0.13 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3icj h GLU 254 CO -0.16 -0.50 -0.15 0.07 -1.18 0.00 0.00 179.01 177.10 3icj h ARG 255 N -0.77 0.00 0.00 1.92 0.11 -1.27 -2.18 114.38 112.19 3icj h ARG 255 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 3icj h ARG 255 Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 3icj h ARG 255 CO -0.07 0.15 0.00 0.39 0.10 0.00 0.00 179.97 180.54 3icj n GLU 256 N -3.44 0.64 -1.52 0.08 1.02 -0.26 -4.91 120.64 112.25 3icj n GLU 256 Ca -0.01 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 3icj n GLU 256 Cb 0.32 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 3icj n GLU 256 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3icj n GLY 257 N 1.07 0.76 0.52 0.62 0.00 -0.82 -4.91 105.19 102.42 3icj n GLY 257 Ca 0.18 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.69 3icj n GLY 257 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3icj n ARG 258 N -2.49 1.56 -2.85 1.61 1.74 0.16 -4.86 116.66 111.53 3icj n ARG 258 Ca -0.09 -1.09 -0.41 0.00 -0.77 0.00 0.00 57.85 55.48 3icj n ARG 258 Cb 0.37 -1.37 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 3icj n ARG 258 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3icj s LEU 259 N -2.09 4.33 -0.04 0.55 1.43 -1.19 -4.94 118.68 116.72 3icj s LEU 259 Ca 0.17 1.43 0.07 0.00 -1.03 0.00 0.00 54.13 54.77 3icj s LEU 259 Cb 0.16 -3.35 0.10 0.00 0.03 0.00 0.00 46.19 43.12 3icj s LEU 259 CO 0.42 -0.22 1.02 0.29 0.23 0.00 0.00 176.35 178.08 3icj n LYS 260 N 4.02 2.06 -3.90 1.70 5.02 -1.26 -4.93 118.16 120.87 3icj n LYS 260 Ca 0.03 -1.78 -0.09 0.00 -2.02 0.00 0.00 58.31 54.45 3icj n LYS 260 Cb 0.51 -1.11 -0.08 0.00 -0.02 0.00 0.00 35.03 34.32 3icj n LYS 260 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3icj s MET 261 N -1.53 0.75 -0.19 1.97 0.23 -1.26 -5.04 119.30 114.23 3icj s MET 261 Ca 0.11 -0.93 -0.29 0.00 -1.03 0.00 0.00 55.69 53.55 3icj s MET 261 Cb 0.10 0.30 -0.00 0.00 -1.53 0.00 0.00 34.83 33.69 3icj s MET 261 CO 0.01 -0.22 1.13 -0.80 -2.03 0.00 0.00 175.02 173.11 3icj s ASN 262 N -2.67 7.04 -0.25 -1.18 0.01 -0.18 -4.72 114.94 113.00 3icj s ASN 262 Ca 0.03 1.53 0.02 0.00 -0.71 0.00 0.00 52.86 53.73 3icj s ASN 262 Cb 0.04 -2.54 0.05 0.00 0.41 0.00 0.00 41.25 39.21 3icj s ASN 262 CO -0.09 -0.69 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.00 3icj s VAL 263 N 3.21 2.21 -0.49 1.60 1.01 -0.51 -0.96 120.40 126.47 3icj s VAL 263 Ca 0.49 -1.50 -0.15 0.00 0.00 0.00 0.00 61.98 60.82 3icj s VAL 263 Cb -0.18 -2.24 0.10 0.00 0.00 0.00 0.00 36.38 34.05 3icj s VAL 263 CO 0.11 0.06 0.41 -0.36 0.00 0.00 0.00 175.10 175.32 3icj s PHE 264 N 1.14 3.27 -0.16 5.22 0.08 -0.32 -0.54 117.98 126.67 3icj s PHE 264 Ca -0.06 -1.17 -0.23 0.00 0.12 0.00 0.00 56.93 55.59 3icj s PHE 264 Cb -0.19 -3.38 -0.02 0.00 -0.57 0.00 0.00 43.02 38.86 3icj s PHE 264 CO -0.06 -0.89 0.71 0.00 -0.10 0.00 0.00 175.22 174.88 3icj s ALA 265 N 1.59 3.49 -0.37 5.36 0.00 0.06 -0.85 121.76 131.05 3icj s ALA 265 Ca 0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.85 3icj s ALA 265 Cb -0.26 -3.05 0.06 0.00 0.00 0.00 0.00 23.12 19.87 3icj s ALA 265 CO 0.04 -0.49 0.15 0.71 0.00 0.00 0.00 175.76 176.18 3icj s TYR 266 N 1.74 3.33 0.45 0.00 1.51 0.83 -1.78 117.35 123.43 3icj s TYR 266 Ca 0.34 -1.68 -0.20 0.00 -1.01 0.00 0.00 57.07 54.52 3icj s TYR 266 Cb -0.16 -2.59 -0.10 0.00 -0.11 0.00 0.00 41.96 38.99 3icj s TYR 266 CO 0.13 -0.81 0.97 -0.51 -1.11 0.00 0.00 175.55 174.21 3icj s LEU 267 N 1.35 3.86 0.47 -1.29 1.43 0.94 -1.53 118.68 123.91 3icj s LEU 267 Ca 0.01 1.69 -0.24 0.00 -1.03 0.00 0.00 54.13 54.56 3icj s LEU 267 Cb -0.21 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.40 3icj s LEU 267 CO 0.01 -0.46 1.31 -0.44 0.23 0.00 0.00 176.35 177.01 3icj s SER 268 N -2.34 5.83 0.62 2.29 0.01 0.36 -4.29 113.70 116.18 3icj s SER 268 Ca 0.62 2.67 0.41 0.00 1.31 0.00 0.00 55.95 60.95 3icj s SER 268 Cb -0.10 -2.63 2.10 0.00 0.21 0.00 0.00 66.02 65.60 3icj s SER 268 CO 0.18 -1.18 2.24 1.55 0.41 0.00 0.00 173.24 176.44 3icj h PRO 269 N 2.05 0.00 -0.29 12.44 0.13 -1.96 -2.03 132.00 142.34 3icj h PRO 269 Ca -0.50 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.71 3icj h PRO 269 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 3icj h PRO 269 CO 0.60 0.00 0.22 0.93 -0.23 0.00 0.00 178.00 179.52 3icj h GLU 270 N 0.00 0.00 0.00 0.86 3.07 -1.97 -2.30 114.58 114.24 3icj h GLU 270 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3icj h GLU 270 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3icj h GLU 270 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 3icj n LEU 271 N -4.35 0.64 -0.27 1.33 4.77 -0.76 -3.97 117.00 114.40 3icj n LEU 271 Ca 0.04 0.61 0.05 0.00 -0.03 0.00 0.00 56.01 56.68 3icj n LEU 271 Cb 0.38 -0.47 0.28 0.00 -2.33 0.00 0.00 43.42 41.29 3icj n LEU 271 CO 0.34 -0.36 1.24 -0.07 -1.33 0.00 0.00 177.39 177.21 3icj h LEU 272 N 0.00 0.82 -0.45 2.23 3.38 -1.60 -2.47 115.31 117.21 3icj h LEU 272 Ca 0.00 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3icj h LEU 272 Cb 0.51 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3icj h LEU 272 CO 0.00 0.52 0.10 0.44 0.09 0.00 0.00 178.44 179.59 3icj h ASP 273 N 0.92 0.03 0.04 -0.43 3.32 -1.80 -0.22 116.42 118.29 3icj h ASP 273 Ca 0.37 0.07 -0.19 0.00 0.02 0.00 0.00 57.03 57.31 3icj h ASP 273 Cb 0.26 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3icj h ASP 273 CO -0.14 0.05 -0.67 0.11 -1.72 0.00 0.00 179.24 176.87 3icj h LYS 274 N 0.24 0.59 -0.16 3.56 1.57 -1.76 -2.66 116.57 117.94 3icj h LYS 274 Ca 0.22 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3icj h LYS 274 Cb 0.27 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3icj h LYS 274 CO -0.28 1.06 0.10 -0.07 -0.57 0.00 0.00 179.45 179.69 3icj h LEU 275 N 0.42 0.19 -1.73 2.94 3.38 -1.25 -2.95 115.31 116.32 3icj h LEU 275 Ca -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3icj h LEU 275 Cb 1.25 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3icj h LEU 275 CO 0.13 0.16 0.02 -0.33 0.09 0.00 0.00 178.44 178.51 3icj h GLU 276 N 0.21 0.19 0.00 1.13 5.08 -1.02 0.80 114.58 120.97 3icj h GLU 276 Ca 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3icj h GLU 276 Cb -0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3icj h GLU 276 CO -0.01 0.19 0.00 0.93 -1.00 0.00 0.00 179.01 179.12 3icj h GLU 277 N 0.19 0.00 -0.01 2.33 4.39 -1.30 -2.78 114.58 117.40 3icj h GLU 277 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3icj h GLU 277 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3icj h GLU 277 CO -0.00 0.00 -0.27 1.28 -1.16 0.00 0.00 179.01 178.86 3icj n LEU 278 N -2.70 1.45 -2.92 1.33 4.77 -0.84 -4.98 117.00 113.11 3icj n LEU 278 Ca 0.03 -0.77 -0.18 0.00 -0.03 0.00 0.00 56.01 55.05 3icj n LEU 278 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3icj n LEU 278 CO 0.27 0.28 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.33 3icj n ASN 279 N -0.16 -4.09 -4.65 -1.43 5.15 -0.06 -4.97 115.26 105.05 3icj n ASN 279 Ca 0.06 -0.12 -0.42 0.00 -0.60 0.00 0.00 54.58 53.50 3icj n ASN 279 Cb 0.28 -3.41 -0.04 0.00 -0.53 0.00 0.00 39.78 36.08 3icj n ASN 279 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3icj s LEU 280 N -6.13 4.10 0.00 1.20 2.96 0.08 -4.98 118.68 115.90 3icj s LEU 280 Ca 0.21 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 3icj s LEU 280 Cb -0.11 -3.25 0.00 0.00 0.50 0.00 0.00 46.19 43.33 3icj s LEU 280 CO 0.26 -0.53 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 3icj n GLY 281 N 3.64 3.78 3.67 7.98 0.00 -1.26 -4.57 105.19 118.44 3icj n GLY 281 Ca 0.06 -0.55 -0.46 0.00 0.00 0.00 0.00 46.02 45.07 3icj n GLY 281 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3icj n LYS 282 N 0.00 2.18 -3.67 1.61 4.81 -0.02 -4.82 118.16 118.26 3icj n LYS 282 Ca 0.00 0.79 -0.08 0.00 -0.87 0.00 0.00 58.31 58.15 3icj n LYS 282 Cb 0.00 -2.58 -0.09 0.00 0.02 0.00 0.00 35.03 32.39 3icj n LYS 282 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3icj s PHE 283 N 1.51 -0.86 -0.39 5.64 5.36 -0.66 -5.00 117.98 123.58 3icj s PHE 283 Ca 0.81 1.67 -0.09 0.00 -0.96 0.00 0.00 56.93 58.37 3icj s PHE 283 Cb -0.67 0.42 0.06 0.00 -0.34 0.00 0.00 43.02 42.49 3icj s PHE 283 CO 0.40 -0.47 0.20 -2.00 -1.46 0.00 0.00 175.22 171.89 3icj s GLU 284 N 2.09 2.65 0.00 10.12 2.12 -1.26 -0.63 118.70 133.79 3icj s GLU 284 Ca -0.06 -1.30 0.00 0.00 0.36 0.00 0.00 54.97 53.97 3icj s GLU 284 Cb -0.10 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.61 3icj s GLU 284 CO -0.15 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.16 3icj n GLY 285 N 4.90 -0.00 0.19 -1.50 0.00 0.10 -5.02 105.19 103.86 3icj n GLY 285 Ca -0.11 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 3icj n GLY 285 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3icj h ARG 286 N 0.00 0.58 0.00 1.61 2.47 -1.98 -3.41 114.38 113.65 3icj h ARG 286 Ca 0.00 -0.29 -0.03 0.00 -1.26 0.00 0.00 59.98 58.39 3icj h ARG 286 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 3icj h ARG 286 CO 0.00 0.88 -1.12 0.54 0.56 0.00 0.00 179.97 180.83 3icj n ARG 287 N -4.38 0.05 -2.76 0.04 5.12 -1.26 -4.98 116.66 108.49 3icj n ARG 287 Ca -0.04 0.01 -0.42 0.00 -1.93 0.00 0.00 57.85 55.47 3icj n ARG 287 Cb 0.41 -0.88 -0.03 0.00 -1.16 0.00 0.00 32.46 30.81 3icj n ARG 287 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3icj s LEU 288 N -5.47 4.32 -0.13 0.55 2.96 -1.26 -1.43 118.68 118.22 3icj s LEU 288 Ca -0.03 1.54 0.01 0.00 -0.22 0.00 0.00 54.13 55.43 3icj s LEU 288 Cb 0.01 -3.48 -0.01 0.00 0.50 0.00 0.00 46.19 43.21 3icj s LEU 288 CO 0.04 -0.29 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.48 3icj s ARG 289 N 1.28 3.23 -0.50 1.98 3.00 0.30 -0.72 118.95 127.52 3icj s ARG 289 Ca 0.48 -0.77 -0.24 0.00 0.00 0.00 0.00 55.73 55.21 3icj s ARG 289 Cb -0.20 -2.53 0.03 0.00 0.00 0.00 0.00 34.95 32.26 3icj s ARG 289 CO 0.23 0.13 0.90 0.42 0.00 0.00 0.00 175.30 176.99 3icj s ILE 290 N 0.51 4.48 0.00 1.52 -1.09 0.20 -0.76 121.20 126.06 3icj s ILE 290 Ca -0.11 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 3icj s ILE 290 Cb -0.16 -4.46 0.00 0.00 -1.58 0.00 0.00 42.46 36.26 3icj s ILE 290 CO 0.05 -0.93 0.00 1.87 -1.23 0.00 0.00 174.94 174.69 3icj n TRP 291 N 7.19 0.00 -3.46 3.97 -0.00 -0.74 -1.66 117.44 122.76 3icj n TRP 291 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.52 3icj n TRP 291 Cb 0.48 0.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.79 3icj n TRP 291 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3icj n GLY 292 N 2.85 1.28 0.00 5.87 0.00 -0.93 -1.05 105.19 113.21 3icj n GLY 292 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3icj n GLY 292 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3icj n VAL 293 N -0.15 0.00 0.00 1.61 0.31 0.51 -0.04 118.33 120.57 3icj n VAL 293 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3icj n VAL 293 Cb 0.13 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 3icj n VAL 293 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3icj n LEU 295 N 0.00 0.00 -3.92 7.52 4.77 0.07 -0.80 117.00 124.65 3icj n LEU 295 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 3icj n LEU 295 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 3icj n LEU 295 CO 0.00 0.00 -0.44 -0.36 -1.33 0.00 0.00 177.39 175.26 3icj s PHE 296 N -2.00 1.57 -0.02 -1.77 0.08 -1.26 -0.95 117.98 113.62 3icj s PHE 296 Ca 0.00 -0.82 -0.21 0.00 0.12 0.00 0.00 56.93 56.02 3icj s PHE 296 Cb 0.00 -1.28 -0.27 0.00 -0.57 0.00 0.00 43.02 40.90 3icj s PHE 296 CO 0.00 -0.54 1.00 0.28 -0.10 0.00 0.00 175.22 175.86 3icj h VAL 297 N 6.18 1.48 -2.41 -0.44 2.07 -1.46 -3.18 116.25 118.49 3icj h VAL 297 Ca -0.30 -2.30 -0.07 0.00 0.82 0.00 0.00 66.70 64.85 3icj h VAL 297 Cb 1.13 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.79 3icj h VAL 297 CO 0.42 0.66 -0.06 -0.90 0.02 0.00 0.00 177.57 177.70 3icj n ASP 298 N -4.19 -0.12 0.00 0.57 5.75 -1.25 0.47 116.55 117.77 3icj n ASP 298 Ca -0.12 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 3icj n ASP 298 Cb 0.74 0.28 0.00 0.00 -1.03 0.00 0.00 41.12 41.10 3icj n ASP 298 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3icj n GLY 299 N -0.10 0.97 3.33 6.12 0.00 -0.41 -4.87 105.19 110.23 3icj n GLY 299 Ca 0.01 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 3icj n GLY 299 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3icj s SER 300 N -1.00 2.64 0.34 1.61 1.04 -1.26 -4.00 113.70 113.07 3icj s SER 300 Ca 0.00 -0.85 0.08 0.00 0.48 0.00 0.00 55.95 55.65 3icj s SER 300 Cb 0.00 -0.15 0.63 0.00 0.10 0.00 0.00 66.02 66.60 3icj s SER 300 CO 0.00 -0.04 1.82 -0.07 0.98 0.00 0.00 173.24 175.94 3icj h LEU 301 N 3.29 0.27 -0.73 2.42 3.38 -1.93 0.27 115.31 122.28 3icj h LEU 301 Ca -0.42 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 3icj h LEU 301 Cb 1.20 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 3icj h LEU 301 CO 0.51 0.51 0.28 1.23 0.09 0.00 0.00 178.44 181.06 3icj h GLY 302 N 0.94 1.18 -0.22 0.83 0.00 -1.99 -2.45 103.07 101.37 3icj h GLY 302 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3icj h GLY 302 CO 0.04 0.61 -0.09 0.00 0.00 0.00 0.00 176.54 177.09 3icj n ALA 303 N -2.41 2.76 -2.44 3.60 0.00 -1.20 -4.94 120.51 115.87 3icj n ALA 303 Ca 0.06 -0.43 -0.18 0.00 0.00 0.00 0.00 53.44 52.88 3icj n ALA 303 Cb 0.19 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.48 3icj n ALA 303 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3icj n ARG 304 N -0.12 -1.93 0.00 0.00 1.74 -0.92 -4.91 116.66 110.53 3icj n ARG 304 Ca 0.16 0.87 0.06 0.00 -0.77 0.00 0.00 57.85 58.18 3icj n ARG 304 Cb 0.36 -5.40 0.00 0.00 -1.02 0.00 0.00 32.46 26.39 3icj n ARG 304 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3icj n THR 305 N -4.07 0.00 -2.09 0.55 -2.24 -0.04 -3.86 114.28 102.53 3icj n THR 305 Ca -0.20 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 60.79 3icj n THR 305 Cb 0.66 1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 70.01 3icj n THR 305 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3icj s ALA 306 N -1.52 3.56 -0.40 6.98 0.00 -0.50 -1.29 121.76 128.59 3icj s ALA 306 Ca 0.10 1.25 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 3icj s ALA 306 Cb 0.10 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.72 3icj s ALA 306 CO 0.30 -0.66 0.80 -1.17 0.00 0.00 0.00 175.76 175.03 3icj s LEU 307 N -0.76 4.15 0.17 0.00 2.96 -1.26 -4.02 118.68 119.92 3icj s LEU 307 Ca 0.55 0.20 0.05 0.00 -0.22 0.00 0.00 54.13 54.71 3icj s LEU 307 Cb -0.40 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 3icj s LEU 307 CO 0.45 -0.82 0.14 -0.76 -1.32 0.00 0.00 176.35 174.05 3icj s LEU 308 N 3.22 3.81 0.34 -0.68 1.43 0.51 -1.95 118.68 125.37 3icj s LEU 308 Ca 0.31 -0.13 0.18 0.00 -1.03 0.00 0.00 54.13 53.46 3icj s LEU 308 Cb -0.13 -2.42 0.33 0.00 0.03 0.00 0.00 46.19 44.00 3icj s LEU 308 CO 0.20 0.06 1.57 0.28 0.23 0.00 0.00 176.35 178.68 3icj h SER 309 N 2.33 0.00 -3.82 2.29 0.02 -1.91 -3.44 113.55 109.02 3icj h SER 309 Ca -0.48 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.09 3icj h SER 309 Cb 1.20 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.58 3icj h SER 309 CO 0.63 0.36 -0.73 -1.61 -1.14 0.00 0.00 176.83 174.34 3icj s GLU 310 N -3.18 1.11 0.82 3.45 2.02 -1.26 -5.09 118.70 116.57 3icj s GLU 310 Ca 0.03 -1.40 -0.12 0.00 0.02 0.00 0.00 54.97 53.50 3icj s GLU 310 Cb 0.08 -0.84 0.09 0.00 0.10 0.00 0.00 34.13 33.56 3icj s GLU 310 CO 0.71 0.14 1.18 -2.14 0.02 0.00 0.00 175.26 175.16 3icj s PRO 311 N -3.32 1.59 0.33 0.39 0.02 -1.26 -4.80 135.00 127.96 3icj s PRO 311 Ca 0.15 1.65 -0.28 0.00 0.02 0.00 0.00 61.00 62.53 3icj s PRO 311 Cb -0.01 -1.78 -0.12 0.00 0.02 0.00 0.00 34.50 32.61 3icj s PRO 311 CO 0.03 -2.23 1.32 0.66 -0.33 0.00 0.00 177.00 176.45 3icj n TYR 312 N -3.49 2.32 -0.20 6.54 4.02 -0.50 -4.89 117.16 120.96 3icj n TYR 312 Ca 0.13 0.53 -0.03 0.00 -0.01 0.00 0.00 57.90 58.52 3icj n TYR 312 Cb 0.51 -2.43 0.16 0.00 -0.02 0.00 0.00 39.34 37.56 3icj n TYR 312 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3icj h THR 313 N 2.63 1.23 -0.66 -0.72 2.02 -0.92 -2.76 112.91 113.73 3icj h THR 313 Ca -0.46 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 65.99 3icj h THR 313 Cb 1.28 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3icj h THR 313 CO 0.64 0.29 0.00 -0.90 0.37 0.00 0.00 175.52 175.92 3icj n ASP 314 N -4.30 4.65 -3.03 4.18 5.75 -1.18 -4.53 116.55 118.09 3icj n ASP 314 Ca 0.06 -2.39 -0.02 0.00 -0.01 0.00 0.00 54.79 52.43 3icj n ASP 314 Cb 0.17 -0.56 -0.01 0.00 -1.03 0.00 0.00 41.12 39.69 3icj n ASP 314 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3icj s ASN 315 N -0.94 -1.36 0.00 -1.12 3.84 -1.11 -5.05 114.94 109.20 3icj s ASN 315 Ca 0.51 -1.25 0.10 0.00 0.21 0.00 0.00 52.86 52.42 3icj s ASN 315 Cb 0.32 1.85 0.57 0.00 -0.55 0.00 0.00 41.25 43.44 3icj s ASN 315 CO 0.26 -0.12 1.05 -2.65 -2.79 0.00 0.00 177.10 172.85 3icj n PRO 316 N 3.76 0.28 0.00 0.43 -0.02 -1.06 -2.30 135.00 136.09 3icj n PRO 316 Ca 0.14 0.03 0.13 0.00 -2.02 0.00 0.00 63.50 61.78 3icj n PRO 316 Cb 0.56 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.84 3icj n PRO 316 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3icj n THR 317 N -1.04 0.00 -4.03 3.45 -2.24 -1.26 -4.82 114.28 104.34 3icj n THR 317 Ca 0.07 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 3icj n THR 317 Cb 0.04 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 3icj n THR 317 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3icj s THR 318 N -2.56 0.33 -0.04 4.28 -1.32 -0.97 -5.03 115.64 110.33 3icj s THR 318 Ca 0.22 -1.07 0.05 0.00 -1.21 0.00 0.00 61.69 59.68 3icj s THR 318 Cb 0.19 -0.53 0.08 0.00 -1.51 0.00 0.00 72.50 70.73 3icj s THR 318 CO 0.55 -0.49 0.99 -1.20 -2.21 0.00 0.00 174.62 172.27 3icj n SER 319 N 1.40 1.81 0.00 8.08 7.64 -1.26 -1.40 113.62 129.88 3icj n SER 319 Ca -0.23 -2.22 0.00 0.00 1.01 0.00 0.00 58.87 57.44 3icj n SER 319 Cb 0.55 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 3icj n SER 319 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3icj n GLY 320 N -0.70 -1.73 3.11 0.23 0.00 -1.25 -0.36 105.19 104.49 3icj n GLY 320 Ca 0.05 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 3icj n GLY 320 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3icj s GLU 321 N 0.00 1.79 -0.38 1.61 -1.05 -0.47 -4.90 118.70 115.30 3icj s GLU 321 Ca 0.00 -0.57 -0.22 0.00 -0.15 0.00 0.00 54.97 54.02 3icj s GLU 321 Cb 0.00 -1.53 0.01 0.00 -0.44 0.00 0.00 34.13 32.17 3icj s GLU 321 CO 0.00 0.20 0.74 -1.17 0.95 0.00 0.00 175.26 175.98 3icj s LEU 322 N 0.16 4.19 -0.10 1.83 2.96 -1.26 -4.06 118.68 122.39 3icj s LEU 322 Ca -0.06 0.22 -0.16 0.00 -0.22 0.00 0.00 54.13 53.91 3icj s LEU 322 Cb -0.12 -2.95 -0.27 0.00 0.50 0.00 0.00 46.19 43.34 3icj s LEU 322 CO 0.03 -0.73 0.58 0.58 -1.32 0.00 0.00 176.35 175.49 3icj h VAL 323 N 5.77 1.07 -3.62 1.68 2.07 -0.25 -3.47 116.25 119.51 3icj h VAL 323 Ca -0.25 -2.41 -0.35 0.00 0.82 0.00 0.00 66.70 64.51 3icj h VAL 323 Cb 1.10 2.75 -0.32 0.00 -1.52 0.00 0.00 31.29 33.30 3icj h VAL 323 CO 0.90 0.70 -0.75 -0.04 0.02 0.00 0.00 177.57 178.39 3icj s MET 324 N -2.47 0.46 0.75 1.57 -1.94 -1.12 -5.01 119.30 111.54 3icj s MET 324 Ca -0.19 -0.05 -0.02 0.00 -1.71 0.00 0.00 55.69 53.71 3icj s MET 324 Cb 0.04 -0.52 0.14 0.00 2.01 0.00 0.00 34.83 36.49 3icj s MET 324 CO 0.77 -0.04 1.03 0.54 -0.01 0.00 0.00 175.02 177.31 3icj s ASN 325 N 0.59 4.20 0.17 3.03 2.20 -1.26 -4.61 114.94 119.26 3icj s ASN 325 Ca -0.06 -0.36 -0.15 0.00 -0.94 0.00 0.00 52.86 51.35 3icj s ASN 325 Cb -0.10 0.03 0.13 0.00 -2.00 0.00 0.00 41.25 39.31 3icj s ASN 325 CO -0.01 -1.97 1.71 0.50 -2.94 0.00 0.00 177.10 174.40 3icj h LYS 326 N -0.64 0.16 -0.39 3.55 3.64 -2.00 -2.14 116.57 118.75 3icj h LYS 326 Ca -0.36 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 3icj h LYS 326 Cb 1.26 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 3icj h LYS 326 CO 0.39 0.11 0.13 -0.44 -2.27 0.00 0.00 179.45 177.36 3icj h ASP 327 N 0.16 0.51 0.46 4.20 3.32 -1.96 -1.25 116.42 121.87 3icj h ASP 327 Ca 0.21 -0.06 -0.18 0.00 0.02 0.00 0.00 57.03 57.02 3icj h ASP 327 Cb 0.27 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3icj h ASP 327 CO -0.30 0.49 -0.77 -0.33 -1.72 0.00 0.00 179.24 176.61 3icj h GLU 328 N 0.56 0.24 -0.00 3.56 5.08 -1.81 -1.75 114.58 120.46 3icj h GLU 328 Ca 0.13 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3icj h GLU 328 Cb 0.16 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3icj h GLU 328 CO -0.01 0.89 -0.01 0.82 -1.00 0.00 0.00 179.01 179.71 3icj h ILE 329 N 0.15 1.44 -0.95 3.13 2.04 -1.06 -3.01 117.51 119.26 3icj h ILE 329 Ca -0.03 -1.31 0.14 0.00 1.00 0.00 0.00 64.86 64.67 3icj h ILE 329 Cb 1.35 2.32 -0.09 0.00 -0.74 0.00 0.00 36.82 39.66 3icj h ILE 329 CO 0.12 0.34 0.56 0.58 0.00 0.00 0.00 178.15 179.75 3icj h VAL 330 N -0.54 0.81 -0.69 1.67 2.07 -1.25 -0.87 116.25 117.45 3icj h VAL 330 Ca 0.00 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3icj h VAL 330 Cb 0.56 -0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 3icj h VAL 330 CO 0.00 0.15 0.42 -0.08 0.02 0.00 0.00 177.57 178.08 3icj h GLU 331 N 0.82 0.78 -0.23 1.57 4.22 -1.32 -0.19 114.58 120.24 3icj h GLU 331 Ca 0.50 -0.05 -0.09 0.00 0.08 0.00 0.00 59.36 59.81 3icj h GLU 331 Cb 0.63 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3icj h GLU 331 CO -0.32 0.52 -0.21 0.28 -2.18 0.00 0.00 179.01 177.10 3icj h VAL 332 N 0.80 1.32 -0.87 0.32 2.07 -1.20 -2.93 116.25 115.75 3icj h VAL 332 Ca 0.28 -1.36 0.12 0.00 0.82 0.00 0.00 66.70 66.56 3icj h VAL 332 Cb 0.07 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 31.45 3icj h VAL 332 CO -0.13 0.42 0.50 0.40 0.02 0.00 0.00 177.57 178.78 3icj h ILE 333 N 0.24 0.85 0.00 4.57 2.04 -0.89 0.11 117.51 124.42 3icj h ILE 333 Ca 0.04 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 3icj h ILE 333 Cb 0.75 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3icj h ILE 333 CO 0.05 0.14 -0.23 -0.33 0.00 0.00 0.00 178.15 177.79 3icj h GLU 334 N 0.78 0.00 0.03 2.37 4.39 -0.91 -0.24 114.58 121.00 3icj h GLU 334 Ca 0.45 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.92 3icj h GLU 334 Cb 0.50 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 3icj h GLU 334 CO -0.29 0.23 -1.05 0.00 -1.16 0.00 0.00 179.01 176.73 3icj h ARG 335 N 0.00 0.08 -0.11 2.33 3.08 -1.02 -3.34 114.38 115.39 3icj h ARG 335 Ca -0.00 -0.13 -0.21 0.00 0.07 0.00 0.00 59.98 59.71 3icj h ARG 335 Cb 0.57 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3icj h ARG 335 CO 0.03 1.05 -0.77 0.00 -1.07 0.00 0.00 179.97 179.21 3icj h ALA 336 N 0.90 0.44 -0.32 0.04 0.00 -0.18 -3.36 119.26 116.77 3icj h ALA 336 Ca -0.04 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.30 3icj h ALA 336 Cb 1.81 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 3icj h ALA 336 CO 0.15 0.73 -0.50 0.87 0.00 0.00 0.00 179.25 180.50 3icj h LYS 337 N 0.40 -0.37 0.00 0.00 1.57 -1.19 -1.73 116.57 115.25 3icj h LYS 337 Ca -0.05 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3icj h LYS 337 Cb 1.38 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.77 3icj h LYS 337 CO 0.15 -0.25 0.00 -0.35 -0.57 0.00 0.00 179.45 178.43 3icj n PRO 338 N -5.08 0.16 0.00 3.15 -0.04 -1.26 -1.47 135.00 130.46 3icj n PRO 338 Ca -0.04 0.31 0.15 0.00 -0.04 0.00 0.00 63.50 63.89 3icj n PRO 338 Cb 0.31 -1.77 0.75 0.00 -0.04 0.00 0.00 33.50 32.75 3icj n PRO 338 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3icj n LEU 339 N -2.07 0.59 -1.21 1.53 4.77 -0.83 -4.93 117.00 114.86 3icj n LEU 339 Ca 0.04 -0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 55.69 3icj n LEU 339 Cb 0.28 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 3icj n LEU 339 CO 0.22 0.10 -0.15 0.61 -1.33 0.00 0.00 177.39 176.84 3icj n GLY 340 N 1.10 1.59 3.82 -0.72 0.00 -0.54 -0.84 105.19 109.59 3icj n GLY 340 Ca 0.21 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3icj n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3icj s LEU 341 N -3.58 4.48 0.73 0.99 1.43 -0.72 -4.50 118.68 117.52 3icj s LEU 341 Ca 0.00 1.26 -0.13 0.00 -1.03 0.00 0.00 54.13 54.23 3icj s LEU 341 Cb 0.00 -3.05 0.04 0.00 0.03 0.00 0.00 46.19 43.21 3icj s LEU 341 CO 0.00 0.22 1.11 -0.62 0.23 0.00 0.00 176.35 177.29 3icj s ASP 342 N -1.28 4.61 -0.11 2.29 2.15 -0.22 -4.53 116.67 119.58 3icj s ASP 342 Ca 0.32 1.97 0.01 0.00 0.43 0.00 0.00 52.55 55.29 3icj s ASP 342 Cb -0.19 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 39.91 3icj s ASP 342 CO 0.20 -1.97 -0.14 -0.69 -0.17 0.00 0.00 175.17 172.40 3icj s VAL 343 N -2.57 1.44 -0.14 1.11 1.01 -1.26 -0.36 120.40 119.63 3icj s VAL 343 Ca 0.65 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3icj s VAL 343 Cb -0.20 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3icj s VAL 343 CO 0.49 0.43 -0.10 0.00 0.00 0.00 0.00 175.10 175.92 3icj s ALA 344 N 1.13 2.75 -0.20 5.51 0.00 0.02 -1.86 121.76 129.11 3icj s ALA 344 Ca -0.04 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.07 3icj s ALA 344 Cb -0.14 -1.33 0.04 0.00 0.00 0.00 0.00 23.12 21.69 3icj s ALA 344 CO -0.04 0.24 -0.11 0.08 0.00 0.00 0.00 175.76 175.93 3icj s VAL 345 N 0.35 1.72 -0.12 0.00 1.01 -0.41 -0.75 120.40 122.20 3icj s VAL 345 Ca -0.09 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.56 3icj s VAL 345 Cb -0.15 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 3icj s VAL 345 CO 0.05 0.20 1.70 -2.28 0.00 0.00 0.00 175.10 174.76 3icj s HIS 346 N 1.37 1.93 -0.10 5.22 2.46 -0.13 -1.36 115.29 124.68 3icj s HIS 346 Ca -0.01 0.31 -0.03 0.00 0.47 0.00 0.00 55.06 55.80 3icj s HIS 346 Cb -0.16 -3.96 0.04 0.00 -0.13 0.00 0.00 32.58 28.37 3icj s HIS 346 CO -0.08 -3.61 0.08 0.00 -2.47 0.00 0.00 174.74 168.66 3icj s ALA 347 N 4.80 0.25 -0.17 1.58 0.00 -0.88 -1.31 121.76 126.03 3icj s ALA 347 Ca 0.75 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 3icj s ALA 347 Cb -0.31 -0.81 -0.07 0.00 0.00 0.00 0.00 23.12 21.93 3icj s ALA 347 CO 0.30 -0.78 -0.26 -0.89 0.00 0.00 0.00 175.76 174.13 3icj n ILE 348 N 5.30 1.24 -1.75 0.00 5.41 -1.26 -1.71 119.36 126.58 3icj n ILE 348 Ca -0.05 -0.12 -0.32 0.00 1.00 0.00 0.00 62.75 63.26 3icj n ILE 348 Cb 0.50 -1.91 0.04 0.00 -0.71 0.00 0.00 39.64 37.56 3icj n ILE 348 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3icj s GLY 349 N -5.14 2.02 0.41 7.39 0.00 -1.26 -1.40 107.32 109.35 3icj s GLY 349 Ca -0.26 0.40 0.09 0.00 0.00 0.00 0.00 44.72 44.95 3icj s GLY 349 CO 0.35 0.74 2.01 1.29 0.00 0.00 0.00 173.10 177.48 3icj h ASP 350 N -0.11 0.32 0.49 1.64 2.03 -1.66 -2.07 116.42 117.06 3icj h ASP 350 Ca -0.46 -0.03 -0.22 0.00 -0.73 0.00 0.00 57.03 55.59 3icj h ASP 350 Cb 1.23 -0.08 -0.00 0.00 -0.83 0.00 0.00 39.33 39.65 3icj h ASP 350 CO 0.55 0.33 -0.97 0.50 -1.03 0.00 0.00 179.24 178.62 3icj h LYS 351 N 0.35 0.30 -0.96 4.15 3.64 -1.68 -2.78 116.57 119.59 3icj h LYS 351 Ca 0.09 -0.35 0.05 0.00 -1.27 0.00 0.00 60.65 59.17 3icj h LYS 351 Cb 0.14 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 3icj h LYS 351 CO -0.00 1.06 0.63 0.00 -2.27 0.00 0.00 179.45 178.87 3icj h ALA 352 N 0.81 1.41 -0.78 5.00 0.00 -1.04 -1.56 119.26 123.09 3icj h ALA 352 Ca -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3icj h ALA 352 Cb 1.62 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3icj h ALA 352 CO 0.16 0.47 0.45 0.28 0.00 0.00 0.00 179.25 180.61 3icj h VAL 353 N 1.17 1.23 -0.63 0.00 2.07 -1.26 -1.24 116.25 117.60 3icj h VAL 353 Ca 0.40 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3icj h VAL 353 Cb 0.09 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 3icj h VAL 353 CO -0.14 0.25 0.37 0.44 0.02 0.00 0.00 177.57 178.51 3icj h ASP 354 N 1.08 0.59 -0.46 0.57 3.32 -1.14 -0.69 116.42 119.70 3icj h ASP 354 Ca 0.28 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 3icj h ASP 354 Cb 0.00 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3icj h ASP 354 CO -0.05 0.41 0.21 0.58 -1.72 0.00 0.00 179.24 178.67 3icj h VAL 355 N 0.72 1.19 -0.24 -1.35 2.07 -0.69 0.08 116.25 118.03 3icj h VAL 355 Ca 0.26 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3icj h VAL 355 Cb 0.07 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3icj h VAL 355 CO -0.12 0.21 0.06 0.00 0.02 0.00 0.00 177.57 177.73 3icj h ALA 356 N 1.06 0.32 -0.61 1.67 0.00 -1.10 -1.19 119.26 119.40 3icj h ALA 356 Ca 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3icj h ALA 356 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3icj h ALA 356 CO -0.02 -0.03 0.40 -0.07 0.00 0.00 0.00 179.25 179.53 3icj h LEU 357 N 0.21 0.70 -0.76 0.00 3.38 -1.01 -1.44 115.31 116.39 3icj h LEU 357 Ca 0.08 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3icj h LEU 357 Cb 0.27 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3icj h LEU 357 CO 0.00 0.50 0.46 0.44 0.09 0.00 0.00 178.44 179.94 3icj h ASP 358 N 0.82 0.73 -0.45 -0.43 3.32 -0.87 -0.14 116.42 119.40 3icj h ASP 358 Ca 0.23 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 3icj h ASP 358 Cb -0.09 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3icj h ASP 358 CO -0.05 0.48 -0.09 0.00 -1.72 0.00 0.00 179.24 177.85 3icj h ALA 359 N 1.36 0.62 -0.43 3.45 0.00 -0.84 -1.69 119.26 121.73 3icj h ALA 359 Ca 0.33 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3icj h ALA 359 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3icj h ALA 359 CO -0.16 0.50 -0.22 0.74 0.00 0.00 0.00 179.25 180.11 3icj h PHE 360 N 0.69 1.05 -0.04 0.00 0.04 -1.07 -2.35 116.94 115.25 3icj h PHE 360 Ca 0.12 -0.26 0.01 0.00 2.80 0.00 0.00 57.97 60.63 3icj h PHE 360 Cb 0.63 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 3icj h PHE 360 CO 0.05 1.06 -0.02 0.93 -0.60 0.00 0.00 178.31 179.73 3icj h GLU 361 N 0.74 -0.01 -0.44 1.51 5.08 -0.98 -0.37 114.58 120.11 3icj h GLU 361 Ca 0.10 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3icj h GLU 361 Cb 0.79 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 3icj h GLU 361 CO 0.06 -0.01 -0.01 1.49 -1.00 0.00 0.00 179.01 179.55 3icj h GLU 362 N -0.01 0.79 -0.00 2.33 4.81 -1.30 -2.54 114.58 118.65 3icj h GLU 362 Ca 0.02 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3icj h GLU 362 Cb 0.04 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3icj h GLU 362 CO -0.05 0.86 -0.00 0.00 -0.73 0.00 0.00 179.01 179.08 3icj n ALA 363 N -2.42 2.56 -3.79 2.92 0.00 -0.89 -4.92 120.51 113.98 3icj n ALA 363 Ca -0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 53.44 53.03 3icj n ALA 363 Cb 0.31 -1.49 0.02 0.00 0.00 0.00 0.00 19.45 18.29 3icj n ALA 363 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3icj n GLU 364 N -1.17 -4.84 -4.35 0.00 1.02 -0.54 -4.97 120.64 105.80 3icj n GLU 364 Ca 0.18 0.59 -0.26 0.00 -0.02 0.00 0.00 57.16 57.64 3icj n GLU 364 Cb 0.20 -5.17 -0.17 0.00 -0.02 0.00 0.00 31.44 26.28 3icj n GLU 364 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3icj s PHE 365 N -3.62 1.58 -0.81 -0.32 5.36 -0.26 -5.04 117.98 114.88 3icj s PHE 365 Ca 0.16 -0.69 -0.19 0.00 -0.96 0.00 0.00 56.93 55.25 3icj s PHE 365 Cb -0.08 -1.20 0.13 0.00 -0.34 0.00 0.00 43.02 41.53 3icj s PHE 365 CO 0.83 -0.40 0.97 0.45 -1.46 0.00 0.00 175.22 175.61 3icj s SER 366 N 1.05 6.49 0.17 6.13 0.15 -1.26 -4.61 113.70 121.82 3icj s SER 366 Ca -0.07 -1.86 0.00 0.00 0.70 0.00 0.00 55.95 54.73 3icj s SER 366 Cb -0.15 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 3icj s SER 366 CO -0.01 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 173.98 3icj n GLY 367 N 5.21 1.28 3.39 9.45 0.00 -1.26 -4.88 105.19 118.37 3icj n GLY 367 Ca 0.12 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 3icj n GLY 367 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3icj s ARG 368 N -1.24 1.41 -0.14 1.61 1.70 -0.78 -2.17 118.95 119.34 3icj s ARG 368 Ca 0.00 -1.42 0.01 0.00 -0.47 0.00 0.00 55.73 53.84 3icj s ARG 368 Cb 0.00 -1.73 -0.01 0.00 -0.57 0.00 0.00 34.95 32.64 3icj s ARG 368 CO 0.00 0.38 -0.15 0.42 -1.08 0.00 0.00 175.30 174.87 3icj s ILE 369 N -1.51 2.76 -0.03 4.99 1.01 0.87 -1.28 121.20 128.00 3icj s ILE 369 Ca 0.17 -0.75 -0.19 0.00 0.00 0.00 0.00 60.65 59.87 3icj s ILE 369 Cb -0.08 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 3icj s ILE 369 CO 0.08 0.52 0.54 -1.61 0.00 0.00 0.00 174.94 174.47 3icj s GLU 370 N 0.57 4.27 0.00 2.79 0.41 -0.47 -1.08 118.70 125.19 3icj s GLU 370 Ca -0.09 0.62 0.00 0.00 -0.41 0.00 0.00 54.97 55.08 3icj s GLU 370 Cb -0.16 -3.35 0.00 0.00 -1.78 0.00 0.00 34.13 28.84 3icj s GLU 370 CO 0.04 0.35 0.00 0.72 -0.49 0.00 0.00 175.26 175.88 3icj n HIS 371 N 2.87 0.00 -4.26 1.61 8.25 0.11 -2.06 115.22 121.74 3icj n HIS 371 Ca -0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.07 3icj n HIS 371 Cb 0.51 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.55 3icj n HIS 371 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3icj n ALA 372 N 0.00 -1.89 -0.17 -1.41 0.00 -0.69 -4.62 120.51 111.72 3icj n ALA 372 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 53.44 53.01 3icj n ALA 372 Cb 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.20 3icj n ALA 372 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3icj h SER 373 N -1.69 0.69 -3.55 0.00 0.02 -1.63 -3.38 113.55 104.00 3icj h SER 373 Ca -0.64 -0.17 -0.67 0.00 -0.84 0.00 0.00 61.79 59.46 3icj h SER 373 Cb 1.39 -0.18 -0.29 0.00 0.14 0.00 0.00 62.40 63.47 3icj h SER 373 CO 0.71 0.67 -0.68 -0.76 -1.14 0.00 0.00 176.83 175.63 3icj s LEU 374 N -9.77 3.50 -0.15 5.07 1.43 -0.49 -1.23 118.68 117.04 3icj s LEU 374 Ca -0.13 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.21 3icj s LEU 374 Cb 0.11 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.58 3icj s LEU 374 CO 0.77 -0.15 -0.16 -0.69 0.23 0.00 0.00 176.35 176.35 3icj s VAL 375 N 1.42 1.67 0.52 -1.59 1.01 -0.69 -3.89 120.40 118.85 3icj s VAL 375 Ca 0.02 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 3icj s VAL 375 Cb -0.17 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 3icj s VAL 375 CO -0.01 0.48 1.01 -0.13 0.00 0.00 0.00 175.10 176.44 3icj s ARG 376 N 1.34 3.79 0.27 2.72 0.52 -1.26 -4.55 118.95 121.78 3icj s ARG 376 Ca 0.03 1.09 0.00 0.00 -0.52 0.00 0.00 55.73 56.32 3icj s ARG 376 Cb -0.13 -2.11 0.61 0.00 0.52 0.00 0.00 34.95 33.84 3icj s ARG 376 CO -0.09 -0.41 1.70 -0.44 0.02 0.00 0.00 175.30 176.08 3icj h ASP 377 N 0.96 0.25 0.66 0.23 5.19 -1.98 -0.88 116.42 120.85 3icj h ASP 377 Ca -0.47 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 3icj h ASP 377 Cb 1.20 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.85 3icj h ASP 377 CO 0.60 0.02 0.00 -0.90 -3.12 0.00 0.00 179.24 175.84 3icj n ASP 378 N -5.06 0.39 0.09 6.45 5.68 -1.26 -2.44 116.55 120.40 3icj n ASP 378 Ca 0.19 0.59 0.12 0.00 -0.50 0.00 0.00 54.79 55.19 3icj n ASP 378 Cb 0.56 -0.68 0.05 0.00 -1.14 0.00 0.00 41.12 39.91 3icj n ASP 378 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3icj h GLN 379 N 0.00 0.00 -0.40 0.11 4.20 -1.53 -3.40 115.11 114.08 3icj h GLN 379 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 3icj h GLN 379 Cb 0.33 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3icj h GLN 379 CO 0.00 0.00 0.20 -0.07 -0.67 0.00 0.00 178.83 178.29 3icj h LEU 380 N 0.00 0.29 -1.05 1.46 3.38 -1.41 -2.31 115.31 115.67 3icj h LEU 380 Ca 0.00 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3icj h LEU 380 Cb 0.91 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 3icj h LEU 380 CO 0.00 0.21 0.63 -0.33 0.09 0.00 0.00 178.44 179.04 3icj h GLU 381 N 0.41 1.12 -0.50 1.13 4.39 -1.77 -1.40 114.58 117.96 3icj h GLU 381 Ca 0.17 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 3icj h GLU 381 Cb 0.08 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 3icj h GLU 381 CO -0.12 0.74 -0.13 0.00 -1.16 0.00 0.00 179.01 178.34 3icj h ARG 382 N 1.15 0.94 -0.20 2.33 3.08 -1.70 -1.36 114.38 118.63 3icj h ARG 382 Ca 0.41 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3icj h ARG 382 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3icj h ARG 382 CO -0.16 1.01 -0.02 0.82 -1.07 0.00 0.00 179.97 180.56 3icj h ILE 383 N 0.84 1.27 -0.09 2.04 2.04 -1.05 -1.60 117.51 120.96 3icj h ILE 383 Ca 0.13 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.09 3icj h ILE 383 Cb 0.68 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 3icj h ILE 383 CO 0.05 0.28 -0.04 0.50 0.00 0.00 0.00 178.15 178.94 3icj h LYS 384 N 0.11 -0.03 -0.38 2.37 3.64 -1.22 -1.56 116.57 119.49 3icj h LYS 384 Ca 0.05 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 3icj h LYS 384 Cb 0.43 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3icj h LYS 384 CO 0.01 -0.02 -0.28 1.49 -2.27 0.00 0.00 179.45 178.38 3icj h GLU 385 N -0.04 0.81 -0.00 1.90 4.81 -1.20 -2.60 114.58 118.27 3icj h GLU 385 Ca 0.05 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3icj h GLU 385 Cb 0.11 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3icj h GLU 385 CO -0.11 0.99 -0.17 1.28 -0.73 0.00 0.00 179.01 180.27 3icj n LEU 386 N -4.09 0.40 -3.92 1.64 4.77 -0.61 -4.96 117.00 110.24 3icj n LEU 386 Ca -0.01 0.10 -0.30 0.00 -0.03 0.00 0.00 56.01 55.77 3icj n LEU 386 Cb 0.47 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3icj n LEU 386 CO 0.46 0.08 0.11 0.29 -1.33 0.00 0.00 177.39 177.00 3icj n LYS 387 N -1.16 -5.52 -2.06 3.23 5.02 -0.61 -4.74 118.16 112.33 3icj n LYS 387 Ca 0.11 0.60 -0.42 0.00 -2.02 0.00 0.00 58.31 56.58 3icj n LYS 387 Cb 0.30 -5.49 -0.03 0.00 -0.02 0.00 0.00 35.03 29.80 3icj n LYS 387 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3icj s VAL 388 N -3.30 3.04 0.30 -0.18 1.01 -1.08 -4.84 120.40 115.35 3icj s VAL 388 Ca 0.67 0.71 -0.22 0.00 0.00 0.00 0.00 61.98 63.14 3icj s VAL 388 Cb -0.33 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 3icj s VAL 388 CO 0.83 0.05 0.84 -0.13 0.00 0.00 0.00 175.10 176.69 3icj s ARG 389 N 1.36 4.35 -0.05 2.72 0.52 -0.92 -4.42 118.95 122.51 3icj s ARG 389 Ca 0.68 1.06 0.02 0.00 -0.52 0.00 0.00 55.73 56.97 3icj s ARG 389 Cb -0.39 -2.70 0.02 0.00 0.52 0.00 0.00 34.95 32.39 3icj s ARG 389 CO 0.31 0.26 -0.09 0.42 0.02 0.00 0.00 175.30 176.22 3icj s ILE 390 N -1.71 0.84 -0.27 1.52 1.01 -0.78 -0.09 121.20 121.73 3icj s ILE 390 Ca 0.50 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.76 3icj s ILE 390 Cb -0.16 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.51 3icj s ILE 390 CO 0.21 0.29 0.08 -0.55 0.00 0.00 0.00 174.94 174.96 3icj s SER 391 N 0.70 5.14 0.17 3.58 0.15 -0.24 -1.14 113.70 122.06 3icj s SER 391 Ca -0.12 -0.46 0.11 0.00 0.70 0.00 0.00 55.95 56.18 3icj s SER 391 Cb -0.14 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 3icj s SER 391 CO 0.02 -0.12 -0.23 0.00 1.20 0.00 0.00 173.24 174.11 3icj s ALA 392 N 1.56 2.55 -0.43 5.45 0.00 -0.48 0.08 121.76 130.49 3icj s ALA 392 Ca 0.05 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 50.47 3icj s ALA 392 Cb -0.16 -0.42 0.12 0.00 0.00 0.00 0.00 23.12 22.66 3icj s ALA 392 CO 0.03 0.48 0.18 -0.65 0.00 0.00 0.00 175.76 175.80 3icj s GLN 393 N -2.48 1.85 0.48 0.00 1.11 -1.26 -1.41 119.66 117.95 3icj s GLN 393 Ca 0.19 -2.10 0.18 0.00 0.01 0.00 0.00 55.36 53.65 3icj s GLN 393 Cb -0.09 -3.39 1.19 0.00 -1.01 0.00 0.00 33.01 29.71 3icj s GLN 393 CO 0.09 -1.04 2.05 -1.35 0.01 0.00 0.00 175.29 175.05 3icj h PRO 394 N 7.43 0.00 0.00 2.91 0.11 -1.85 -1.99 132.00 138.61 3icj h PRO 394 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3icj h PRO 394 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3icj h PRO 394 CO 0.62 0.14 0.00 1.25 -0.21 0.00 0.00 178.00 179.80 3icj h HIS 395 N 0.00 0.00 -0.55 0.65 2.76 -1.86 -1.64 115.15 114.52 3icj h HIS 395 Ca -0.00 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.28 3icj h HIS 395 Cb 0.26 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 3icj h HIS 395 CO 0.00 0.00 0.38 0.74 -1.30 0.00 0.00 177.93 177.75 3icj h PHE 396 N 0.00 0.28 -0.43 5.26 -1.00 -1.74 -1.41 116.94 117.89 3icj h PHE 396 Ca 0.00 0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.82 3icj h PHE 396 Cb 0.26 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.70 3icj h PHE 396 CO 0.00 0.13 0.23 0.82 -1.61 0.00 0.00 178.31 177.87 3icj h ILE 397 N 0.26 0.99 -0.18 -0.55 2.04 -1.48 0.12 117.51 118.71 3icj h ILE 397 Ca 0.26 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 3icj h ILE 397 Cb 0.68 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3icj h ILE 397 CO -0.05 0.08 0.01 0.58 0.00 0.00 0.00 178.15 178.76 3icj h VAL 398 N 0.46 1.25 0.06 1.67 2.07 -1.51 -3.36 116.25 116.88 3icj h VAL 398 Ca 0.18 -0.84 -0.24 0.00 0.82 0.00 0.00 66.70 66.63 3icj h VAL 398 Cb 0.07 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3icj h VAL 398 CO -0.12 0.25 -1.06 0.77 0.02 0.00 0.00 177.57 177.44 3icj h SER 399 N 0.08 0.35 -1.69 0.57 4.64 -1.10 -3.37 113.55 113.02 3icj h SER 399 Ca 0.05 -0.33 -0.77 0.00 -0.47 0.00 0.00 61.79 60.27 3icj h SER 399 Cb 0.37 -0.11 -0.18 0.00 -0.31 0.00 0.00 62.40 62.17 3icj h SER 399 CO 0.01 1.20 1.80 0.47 -0.87 0.00 0.00 176.83 179.44 3icj n ASP 400 N -3.58 6.84 0.31 4.97 8.00 0.01 -4.72 116.55 128.37 3icj n ASP 400 Ca -0.06 -3.28 0.20 0.00 0.71 0.00 0.00 54.79 52.37 3icj n ASP 400 Cb 0.92 -1.35 0.96 0.00 -0.02 0.00 0.00 41.12 41.63 3icj n ASP 400 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 3icj h TRP 401 N 4.98 0.00 -0.29 1.24 5.08 -1.80 -2.93 115.95 122.23 3icj h TRP 401 Ca 0.51 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.48 3icj h TRP 401 Cb 0.45 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.61 3icj h TRP 401 CO 1.36 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 175.85 3icj n TRP 402 N -3.07 0.40 -0.05 0.12 4.27 -1.26 -4.46 117.44 113.39 3icj n TRP 402 Ca -0.01 -0.20 -0.08 0.00 -3.89 0.00 0.00 57.50 53.32 3icj n TRP 402 Cb 0.18 -0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.11 3icj n TRP 402 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 3icj h ILE 403 N 1.71 0.71 -0.93 -1.67 1.08 -1.93 -1.69 117.51 114.79 3icj h ILE 403 Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 3icj h ILE 403 Cb 0.40 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 34.82 3icj h ILE 403 CO 0.00 0.00 0.62 0.58 -0.69 0.00 0.00 178.15 178.66 3icj h VAL 404 N -0.04 1.23 -0.94 1.67 2.07 -1.85 -1.70 116.25 116.69 3icj h VAL 404 Ca 0.12 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3icj h VAL 404 Cb 0.21 -0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 29.80 3icj h VAL 404 CO -0.26 0.23 0.61 0.78 0.02 0.00 0.00 177.57 178.95 3icj h ASN 405 N 1.25 1.01 -0.18 0.57 2.35 -1.70 0.31 115.58 119.19 3icj h ASN 405 Ca 0.34 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.91 3icj h ASN 405 Cb -0.13 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.02 3icj h ASN 405 CO -0.08 0.68 -0.60 0.03 -1.65 0.00 0.00 177.43 175.81 3icj h ARG 406 N 1.17 0.72 0.00 0.81 2.47 -0.60 -3.13 114.38 115.82 3icj h ARG 406 Ca 0.38 -0.54 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 3icj h ARG 406 Cb 0.03 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 3icj h ARG 406 CO -0.13 1.16 0.00 1.33 0.56 0.00 0.00 179.97 182.89 3icj n VAL 407 N -4.08 0.00 0.00 2.04 0.24 -0.71 -0.35 118.33 115.48 3icj n VAL 407 Ca -0.07 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 3icj n VAL 407 Cb 0.65 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 3icj n VAL 407 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3icj n GLY 408 N 0.59 -0.97 0.37 7.63 0.00 0.11 -3.99 105.19 108.92 3icj n GLY 408 Ca 0.00 -1.63 0.01 0.00 0.00 0.00 0.00 46.02 44.39 3icj n GLY 408 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3icj h GLU 409 N 0.00 1.21 -0.09 1.61 5.08 -1.95 -1.67 114.58 118.77 3icj h GLU 409 Ca 0.00 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3icj h GLU 409 Cb 0.00 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 28.98 3icj h GLU 409 CO 0.00 0.80 -0.16 0.93 -1.00 0.00 0.00 179.01 179.58 3icj h GLU 410 N 1.25 0.26 0.00 2.33 4.39 -1.97 -3.21 114.58 117.63 3icj h GLU 410 Ca 0.39 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3icj h GLU 410 Cb 0.00 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3icj h GLU 410 CO -0.12 0.75 0.00 0.00 -1.16 0.00 0.00 179.01 178.48 3icj h ARG 411 N -0.19 0.00 0.00 2.33 3.08 -1.68 -2.74 114.38 115.18 3icj h ARG 411 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3icj h ARG 411 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 3icj h ARG 411 CO 0.04 0.00 -0.06 0.00 -1.07 0.00 0.00 179.97 178.87 3icj h ALA 412 N 2.14 1.19 0.00 0.04 0.00 -1.30 -0.98 119.26 120.36 3icj h ALA 412 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3icj h ALA 412 Cb 0.73 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3icj h ALA 412 CO 0.00 0.08 -0.02 0.87 0.00 0.00 0.00 179.25 180.18 3icj h LYS 413 N 0.00 0.00 0.00 0.00 1.57 -1.55 -2.32 116.57 114.27 3icj h LYS 413 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3icj h LYS 413 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3icj h LYS 413 CO 0.01 0.02 -0.00 0.91 -0.57 0.00 0.00 179.45 179.82 3icj n TRP 414 N -3.25 0.40 -2.97 -1.35 8.01 -0.37 -4.93 117.44 112.98 3icj n TRP 414 Ca -0.02 0.12 -0.40 0.00 -1.31 0.00 0.00 57.50 55.88 3icj n TRP 414 Cb 0.15 -0.69 -0.05 0.00 -2.01 0.00 0.00 31.31 28.72 3icj n TRP 414 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3icj s ALA 415 N -3.04 3.32 -1.25 6.99 0.00 -0.87 -1.70 121.76 125.21 3icj s ALA 415 Ca 0.13 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 3icj s ALA 415 Cb 0.16 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 3icj s ALA 415 CO 0.56 -0.05 0.67 0.66 0.00 0.00 0.00 175.76 177.60 3icj n TYR 416 N 3.36 -1.85 -1.73 0.00 4.01 -0.36 -4.74 117.16 115.86 3icj n TYR 416 Ca -0.01 0.62 -0.40 0.00 -0.16 0.00 0.00 57.90 57.95 3icj n TYR 416 Cb 0.51 -3.73 -0.01 0.00 -0.31 0.00 0.00 39.34 35.80 3icj n TYR 416 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3icj n ARG 417 N -4.24 3.85 -0.11 -0.72 1.74 -1.26 -4.75 116.66 111.17 3icj n ARG 417 Ca -0.20 -2.84 -0.08 0.00 -0.77 0.00 0.00 57.85 53.97 3icj n ARG 417 Cb 0.64 -2.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.24 3icj n ARG 417 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3icj h LEU 418 N 7.12 0.32 -0.26 0.55 3.38 -1.89 0.23 115.31 124.75 3icj h LEU 418 Ca 0.71 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.65 3icj h LEU 418 Cb 0.39 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3icj h LEU 418 CO 1.68 0.23 0.01 0.50 0.09 0.00 0.00 178.44 180.96 3icj h LYS 419 N 0.41 0.45 0.21 1.13 1.63 -1.71 -1.66 116.57 117.03 3icj h LYS 419 Ca 0.14 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 3icj h LYS 419 Cb 0.02 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 3icj h LYS 419 CO -0.07 0.60 -0.10 1.15 -3.45 0.00 0.00 179.45 177.58 3icj h THR 420 N 0.24 0.86 -0.80 1.00 2.02 -1.79 -2.33 112.91 112.11 3icj h THR 420 Ca 0.08 -0.42 0.06 0.00 0.77 0.00 0.00 66.41 66.90 3icj h THR 420 Cb 0.39 1.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.85 3icj h THR 420 CO 0.01 0.09 0.49 -0.07 0.37 0.00 0.00 175.52 176.41 3icj h LEU 421 N -0.50 0.76 -1.49 2.58 3.38 -0.99 -2.26 115.31 116.80 3icj h LEU 421 Ca -0.03 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3icj h LEU 421 Cb 0.37 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3icj h LEU 421 CO 0.05 0.49 -0.18 0.77 0.09 0.00 0.00 178.44 179.66 3icj h SER 422 N 0.90 0.00 1.44 -0.43 4.64 -1.24 -2.38 113.55 116.47 3icj h SER 422 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3icj h SER 422 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3icj h SER 422 CO -0.16 0.18 -0.14 0.77 -0.87 0.00 0.00 176.83 176.61 3icj h SER 423 N 0.00 0.00 0.00 4.97 4.64 -0.84 -3.37 113.55 118.96 3icj h SER 423 Ca -0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3icj h SER 423 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3icj h SER 423 CO 0.02 0.02 -1.02 2.30 -0.87 0.00 0.00 176.83 177.29 3icj n ILE 424 N -2.38 0.00 -3.94 0.95 -5.35 -1.03 -5.07 119.36 102.54 3icj n ILE 424 Ca 0.05 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.17 3icj n ILE 424 Cb 0.45 0.59 -0.01 0.00 -1.74 0.00 0.00 39.64 38.93 3icj n ILE 424 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3icj s THR 425 N -2.34 0.00 -0.08 7.28 -1.32 -0.93 -4.37 115.64 113.89 3icj s THR 425 Ca -0.00 -1.28 -0.30 0.00 -1.21 0.00 0.00 61.69 58.90 3icj s THR 425 Cb 0.07 -2.78 -0.03 0.00 -1.51 0.00 0.00 72.50 68.25 3icj s THR 425 CO 0.40 0.00 1.22 -0.54 -2.21 0.00 0.00 174.62 173.49 3icj s LYS 426 N -2.63 4.32 0.07 7.08 1.02 -1.26 -4.51 119.74 123.83 3icj s LYS 426 Ca 0.22 1.68 0.06 0.00 0.02 0.00 0.00 55.97 57.95 3icj s LYS 426 Cb -0.03 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.65 3icj s LYS 426 CO 0.16 -0.51 -0.15 -1.17 -0.92 0.00 0.00 175.35 172.75 3icj s LEU 427 N 2.50 2.26 0.06 3.17 0.20 -1.26 -1.86 118.68 123.75 3icj s LEU 427 Ca 0.56 -0.59 0.00 0.00 0.69 0.00 0.00 54.13 54.79 3icj s LEU 427 Cb -0.24 -0.61 -0.04 0.00 -0.43 0.00 0.00 46.19 44.88 3icj s LEU 427 CO 0.20 -0.03 -0.05 -0.83 -0.29 0.00 0.00 176.35 175.36 3icj s GLY 428 N -1.63 0.56 -0.01 7.98 0.00 -0.29 -4.07 107.32 109.86 3icj s GLY 428 Ca 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 44.72 43.57 3icj s GLY 428 CO 0.02 -1.24 0.11 -1.36 0.00 0.00 0.00 173.10 170.64 3icj s PHE 429 N -3.24 3.36 0.29 1.90 0.08 -0.87 -1.38 117.98 118.11 3icj s PHE 429 Ca 0.04 0.25 -0.11 0.00 0.12 0.00 0.00 56.93 57.23 3icj s PHE 429 Cb 0.03 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.72 3icj s PHE 429 CO -0.06 0.58 0.53 -1.54 -0.10 0.00 0.00 175.22 174.63 3icj s SER 430 N -1.78 0.12 -0.03 1.36 1.04 -0.50 -2.56 113.70 111.35 3icj s SER 430 Ca 0.24 -1.05 0.08 0.00 0.48 0.00 0.00 55.95 55.70 3icj s SER 430 Cb -0.12 0.64 -0.12 0.00 0.10 0.00 0.00 66.02 66.52 3icj s SER 430 CO 0.15 -1.25 0.14 0.35 0.98 0.00 0.00 173.24 173.61 3icj n THR 431 N -0.44 0.14 -2.61 2.02 -2.24 -1.25 -4.08 114.28 105.82 3icj n THR 431 Ca -0.02 -0.23 -0.21 0.00 -2.27 0.00 0.00 64.05 61.32 3icj n THR 431 Cb 0.61 0.02 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 3icj n THR 431 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3icj n ASP 432 N -1.92 -5.86 -4.68 3.42 2.03 -0.63 -3.30 116.55 105.60 3icj n ASP 432 Ca -0.04 -0.12 -0.44 0.00 0.52 0.00 0.00 54.79 54.71 3icj n ASP 432 Cb 0.36 -4.81 -0.02 0.00 -0.72 0.00 0.00 41.12 35.93 3icj n ASP 432 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3icj n SER 433 N -2.06 2.82 -1.11 1.67 2.88 -1.26 -1.08 113.62 115.49 3icj n SER 433 Ca -0.19 1.15 0.06 0.00 -1.33 0.00 0.00 58.87 58.56 3icj n SER 433 Cb 0.66 -1.45 0.22 0.00 -0.75 0.00 0.00 64.21 62.89 3icj n SER 433 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3icj n PRO 434 N 1.76 2.76 0.07 -1.46 -0.04 -1.26 -1.07 135.00 135.76 3icj n PRO 434 Ca 0.10 -1.77 -0.13 0.00 -0.04 0.00 0.00 63.50 61.66 3icj n PRO 434 Cb 0.33 -1.68 -0.07 0.00 -0.04 0.00 0.00 33.50 32.03 3icj n PRO 434 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3icj h ILE 435 N 2.51 0.93 -1.71 0.52 1.08 -1.37 -3.44 117.51 116.04 3icj h ILE 435 Ca 0.00 -0.02 -0.51 0.00 -0.39 0.00 0.00 64.86 63.95 3icj h ILE 435 Cb 1.03 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 35.68 3icj h ILE 435 CO 0.16 0.00 -0.44 -1.61 -0.69 0.00 0.00 178.15 175.58 3icj s GLU 436 N -6.15 2.56 0.50 2.37 0.41 -1.21 -5.10 118.70 112.09 3icj s GLU 436 Ca -0.14 -1.46 -0.23 0.00 -0.41 0.00 0.00 54.97 52.73 3icj s GLU 436 Cb 0.06 -2.36 -0.07 0.00 -1.78 0.00 0.00 34.13 29.98 3icj s GLU 436 CO 0.66 -0.03 1.33 -2.30 -0.49 0.00 0.00 175.26 174.42 3icj n PRO 437 N -1.40 1.83 0.08 0.39 -0.02 -1.26 -4.37 135.00 130.26 3icj n PRO 437 Ca 0.00 0.66 0.13 0.00 -2.02 0.00 0.00 63.50 62.28 3icj n PRO 437 Cb 0.61 -2.51 0.41 0.00 -0.02 0.00 0.00 33.50 31.99 3icj n PRO 437 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3icj n ALA 438 N -0.67 2.40 -1.93 3.55 0.00 -1.26 -4.84 120.51 117.75 3icj n ALA 438 Ca 0.08 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 3icj n ALA 438 Cb 0.43 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 3icj n ALA 438 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3icj s ASP 439 N -4.18 6.09 0.34 0.00 2.15 -1.26 -4.89 116.67 114.92 3icj s ASP 439 Ca 0.11 1.73 0.04 0.00 0.43 0.00 0.00 52.55 54.86 3icj s ASP 439 Cb 0.14 -2.53 0.63 0.00 -0.30 0.00 0.00 42.92 40.86 3icj s ASP 439 CO 0.60 -1.47 1.90 -0.65 -0.17 0.00 0.00 175.17 175.38 3icj h PRO 440 N 12.06 0.55 -0.05 4.34 0.11 -1.88 -2.12 132.00 145.00 3icj h PRO 440 Ca -0.37 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3icj h PRO 440 Cb 1.18 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3icj h PRO 440 CO 0.99 0.54 -0.02 -1.49 -0.21 0.00 0.00 178.00 177.81 3icj h TRP 441 N 0.54 0.07 -0.08 0.65 4.06 -1.92 0.13 115.95 119.39 3icj h TRP 441 Ca 0.12 -0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.86 3icj h TRP 441 Cb 0.27 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 3icj h TRP 441 CO 0.01 0.09 -0.82 0.28 -3.56 0.00 0.00 178.44 174.45 3icj h VAL 442 N 0.07 1.34 -0.01 1.49 2.07 -1.79 -2.19 116.25 117.23 3icj h VAL 442 Ca 0.02 -2.16 -0.18 0.00 0.82 0.00 0.00 66.70 65.19 3icj h VAL 442 Cb 0.08 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3icj h VAL 442 CO 0.00 0.66 -0.82 0.28 0.02 0.00 0.00 177.57 177.72 3icj h SER 443 N 0.36 0.23 -0.44 0.57 0.02 -1.30 -3.02 113.55 109.97 3icj h SER 443 Ca -0.06 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3icj h SER 443 Cb 1.43 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.88 3icj h SER 443 CO 0.15 0.95 0.21 0.40 -1.14 0.00 0.00 176.83 177.40 3icj h ILE 444 N 0.11 1.18 -0.88 3.27 2.04 -0.74 -2.15 117.51 120.33 3icj h ILE 444 Ca -0.03 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.36 3icj h ILE 444 Cb 1.42 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 3icj h ILE 444 CO 0.12 0.20 0.57 0.44 0.00 0.00 0.00 178.15 179.47 3icj h ASP 445 N 0.57 0.93 -0.46 1.72 3.32 -1.43 -1.88 116.42 119.19 3icj h ASP 445 Ca 0.15 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3icj h ASP 445 Cb 0.11 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3icj h ASP 445 CO -0.02 0.63 0.26 0.00 -1.72 0.00 0.00 179.24 178.39 3icj h ALA 446 N 1.38 0.58 0.00 3.45 0.00 -1.38 -0.10 119.26 123.18 3icj h ALA 446 Ca 0.36 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3icj h ALA 446 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3icj h ALA 446 CO -0.13 0.09 -0.43 0.00 0.00 0.00 0.00 179.25 178.78 3icj h ALA 447 N 1.11 1.26 0.12 0.00 0.00 -0.92 -1.23 119.26 119.60 3icj h ALA 447 Ca 0.16 -0.39 -0.32 0.00 0.00 0.00 0.00 54.91 54.36 3icj h ALA 447 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3icj h ALA 447 CO -0.03 0.54 -1.68 0.28 0.00 0.00 0.00 179.25 178.36 3icj h VAL 448 N 0.00 0.85 0.00 0.00 2.07 -1.31 -1.21 116.25 116.65 3icj h VAL 448 Ca -0.00 -2.38 -0.16 0.00 0.82 0.00 0.00 66.70 64.98 3icj h VAL 448 Cb 0.78 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 33.12 3icj h VAL 448 CO 0.06 0.77 -2.04 0.59 0.02 0.00 0.00 177.57 176.96 3icj n ASN 449 N -3.75 0.61 -4.70 0.57 3.02 -0.06 -4.57 115.26 106.39 3icj n ASN 449 Ca -0.28 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.03 3icj n ASN 449 Cb 0.97 1.42 -0.07 0.00 -0.61 0.00 0.00 39.78 41.49 3icj n ASN 449 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3icj s ARG 450 N -2.89 2.49 0.10 3.52 1.81 -0.46 -5.05 118.95 118.47 3icj s ARG 450 Ca -0.08 -1.24 -0.17 0.00 -1.72 0.00 0.00 55.73 52.53 3icj s ARG 450 Cb 0.09 -2.32 0.04 0.00 -0.45 0.00 0.00 34.95 32.30 3icj s ARG 450 CO 0.76 0.40 0.41 1.52 -0.68 0.00 0.00 175.30 177.71 3icj s TYR 451 N -2.12 -0.22 -0.04 -0.53 -0.85 -1.26 -4.61 117.35 107.71 3icj s TYR 451 Ca 0.31 -0.02 -0.09 0.00 -0.52 0.00 0.00 57.07 56.75 3icj s TYR 451 Cb -0.08 0.25 -0.05 0.00 0.38 0.00 0.00 41.96 42.46 3icj s TYR 451 CO 0.21 -0.67 0.43 0.28 -1.52 0.00 0.00 175.55 174.29 3icj h VAL 452 N 2.54 0.00 0.00 -3.49 2.07 -1.90 -3.46 116.25 112.01 3icj h VAL 452 Ca -0.33 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3icj h VAL 452 Cb 1.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3icj h VAL 452 CO 0.46 0.00 -0.31 1.33 0.02 0.00 0.00 177.57 179.07 3icj n VAL 453 N -4.45 0.00 -3.60 2.57 0.24 -1.26 -5.06 118.33 106.76 3icj n VAL 453 Ca -0.04 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.86 3icj n VAL 453 Cb 0.13 -0.29 -0.11 0.00 -1.47 0.00 0.00 33.84 32.10 3icj n VAL 453 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3icj s ASP 454 N -1.57 5.70 0.63 -1.34 2.15 -1.26 -4.94 116.67 116.04 3icj s ASP 454 Ca 0.00 -1.11 0.40 0.00 0.43 0.00 0.00 52.55 52.27 3icj s ASP 454 Cb 0.00 -2.01 2.10 0.00 -0.30 0.00 0.00 42.92 42.71 3icj s ASP 454 CO 0.00 -0.42 2.26 -0.65 -0.17 0.00 0.00 175.17 176.19 3icj h PRO 455 N 8.43 0.00 0.00 4.34 0.11 -1.96 -0.51 132.00 142.41 3icj h PRO 455 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3icj h PRO 455 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3icj h PRO 455 CO 0.69 0.01 0.02 0.41 -0.21 0.00 0.00 178.00 178.91 3icj n GLY 456 N -0.82 -0.83 0.48 -0.55 0.00 -1.26 -2.48 105.19 99.73 3icj n GLY 456 Ca -0.02 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3icj n GLY 456 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3icj n GLU 457 N -2.21 1.52 -2.21 1.61 -0.58 -0.20 -4.78 120.64 113.78 3icj n GLU 457 Ca -0.01 -0.96 -0.35 0.00 -0.42 0.00 0.00 57.16 55.41 3icj n GLU 457 Cb 0.05 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.45 3icj n GLU 457 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3icj s ARG 458 N -2.14 3.32 0.26 3.49 0.52 -1.03 -2.31 118.95 121.06 3icj s ARG 458 Ca 0.33 1.67 0.09 0.00 -0.52 0.00 0.00 55.73 57.29 3icj s ARG 458 Cb 0.20 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.61 3icj s ARG 458 CO 0.39 -0.89 0.08 0.14 0.02 0.00 0.00 175.30 175.04 3icj s VAL 459 N -1.72 3.80 0.81 3.52 -7.23 -0.46 -4.61 120.40 114.52 3icj s VAL 459 Ca 0.73 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 59.07 3icj s VAL 459 Cb -0.26 -3.06 0.08 0.00 0.56 0.00 0.00 36.38 33.70 3icj s VAL 459 CO 0.29 -0.36 1.09 -0.94 -0.31 0.00 0.00 175.10 174.87 3icj s SER 460 N -3.74 4.38 0.24 4.85 1.04 -1.26 -4.04 113.70 115.16 3icj s SER 460 Ca 0.32 1.36 -0.06 0.00 0.48 0.00 0.00 55.95 58.05 3icj s SER 460 Cb -0.07 -2.09 0.29 0.00 0.10 0.00 0.00 66.02 64.25 3icj s SER 460 CO 0.22 -2.04 1.88 -0.09 0.98 0.00 0.00 173.24 174.19 3icj h ARG 461 N -1.14 1.08 -0.70 4.02 2.43 -1.95 -1.04 114.38 117.08 3icj h ARG 461 Ca -0.47 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 58.61 3icj h ARG 461 Cb 1.27 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 3icj h ARG 461 CO 0.58 0.71 0.34 1.05 -1.51 0.00 0.00 179.97 181.14 3icj h GLU 462 N 1.11 1.00 -0.36 0.20 9.09 -1.93 -1.77 114.58 121.92 3icj h GLU 462 Ca 0.36 -0.15 -0.05 0.00 0.05 0.00 0.00 59.36 59.57 3icj h GLU 462 Cb 0.03 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 26.93 3icj h GLU 462 CO -0.13 0.79 0.03 0.93 0.05 0.00 0.00 179.01 180.68 3icj h GLU 463 N 0.97 0.62 -0.89 1.06 5.08 -1.73 -0.84 114.58 118.85 3icj h GLU 463 Ca 0.24 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3icj h GLU 463 Cb 0.12 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3icj h GLU 463 CO -0.03 0.71 0.58 0.00 -1.00 0.00 0.00 179.01 179.27 3icj h ALA 464 N 0.89 1.12 -0.42 3.43 0.00 -1.01 0.86 119.26 124.13 3icj h ALA 464 Ca 0.11 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3icj h ALA 464 Cb 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3icj h ALA 464 CO 0.01 0.53 -0.07 -0.07 0.00 0.00 0.00 179.25 179.65 3icj h LEU 465 N 1.20 0.79 -0.19 0.00 3.38 -1.19 -1.73 115.31 117.57 3icj h LEU 465 Ca 0.32 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3icj h LEU 465 Cb -0.14 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.34 3icj h LEU 465 CO -0.07 0.95 -0.17 -0.74 0.09 0.00 0.00 178.44 178.49 3icj h HIS 466 N 0.61 -0.44 -0.12 1.13 2.76 -0.66 -2.47 115.15 115.96 3icj h HIS 466 Ca 0.11 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 3icj h HIS 466 Cb 0.58 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 3icj h HIS 466 CO 0.05 -0.24 0.01 -0.07 -1.30 0.00 0.00 177.93 176.37 3icj h LEU 467 N -0.18 0.15 -1.04 0.26 3.38 -0.71 -0.08 115.31 117.08 3icj h LEU 467 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3icj h LEU 467 Cb 0.36 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3icj h LEU 467 CO -0.30 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.40 3icj n TYR 468 N -4.45 0.09 0.00 1.13 -0.00 -0.66 -1.61 117.16 111.66 3icj n TYR 468 Ca -0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 57.90 57.84 3icj n TYR 468 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.48 3icj n TYR 468 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 3icj n THR 469 N 0.25 0.00 0.11 2.97 -2.24 -0.86 -1.36 114.28 113.15 3icj n THR 469 Ca 0.18 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.94 3icj n THR 469 Cb 0.35 -0.19 0.21 0.00 -2.10 0.00 0.00 70.33 68.60 3icj n THR 469 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3icj h HIS 470 N 0.00 0.23 0.45 4.78 -0.00 -1.26 -2.46 115.15 116.87 3icj h HIS 470 Ca 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 60.37 60.28 3icj h HIS 470 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 3icj h HIS 470 CO 0.00 0.62 -0.21 0.78 -0.00 0.00 0.00 177.93 179.12 3icj h GLY 471 N 1.32 -0.62 0.51 5.26 0.00 -1.14 -0.17 103.07 108.23 3icj h GLY 471 Ca 0.01 0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.66 3icj h GLY 471 CO 0.07 -0.23 0.35 1.76 0.00 0.00 0.00 176.54 178.50 3icj h SER 472 N -0.61 0.47 -0.43 0.19 0.02 -1.30 -1.51 113.55 110.39 3icj h SER 472 Ca -0.06 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3icj h SER 472 Cb 0.46 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 3icj h SER 472 CO 0.10 0.28 0.24 0.00 -1.14 0.00 0.00 176.83 176.31 3icj h ALA 473 N 1.41 0.54 -0.45 3.77 0.00 -1.04 -1.27 119.26 122.23 3icj h ALA 473 Ca 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3icj h ALA 473 Cb 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3icj h ALA 473 CO -0.25 -0.10 0.02 1.96 0.00 0.00 0.00 179.25 180.88 3icj h GLN 474 N 0.48 0.72 0.00 0.00 4.20 -0.63 -0.40 115.11 119.47 3icj h GLN 474 Ca 0.18 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3icj h GLN 474 Cb 0.04 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3icj h GLN 474 CO -0.10 0.72 -0.39 0.28 -0.67 0.00 0.00 178.83 178.67 3icj h VAL 475 N 0.68 1.14 -0.61 -0.54 2.07 -0.92 -2.51 116.25 115.56 3icj h VAL 475 Ca 0.14 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.27 3icj h VAL 475 Cb 0.39 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3icj h VAL 475 CO 0.01 0.38 0.00 0.41 0.02 0.00 0.00 177.57 178.39 3icj n THR 476 N -3.88 1.80 -3.92 2.57 -1.04 -0.51 -4.93 114.28 104.37 3icj n THR 476 Ca -0.01 -1.12 -0.30 0.00 -2.04 0.00 0.00 64.05 60.57 3icj n THR 476 Cb 0.45 0.05 0.03 0.00 -1.82 0.00 0.00 70.33 69.04 3icj n THR 476 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3icj n LEU 477 N 1.01 -2.54 -4.01 -4.42 4.77 -0.80 -4.93 117.00 106.08 3icj n LEU 477 Ca 0.24 -0.78 -0.33 0.00 -0.03 0.00 0.00 56.01 55.12 3icj n LEU 477 Cb 0.87 -2.56 -0.11 0.00 -2.33 0.00 0.00 43.42 39.30 3icj n LEU 477 CO 0.23 0.47 0.04 0.00 -1.33 0.00 0.00 177.39 176.81 3icj s ALA 478 N -3.30 3.74 -0.23 -1.18 0.00 -0.23 -4.96 121.76 115.60 3icj s ALA 478 Ca 0.67 -3.56 0.28 0.00 0.00 0.00 0.00 51.96 49.35 3icj s ALA 478 Cb -0.34 -2.46 0.88 0.00 0.00 0.00 0.00 23.12 21.21 3icj s ALA 478 CO 0.83 -2.10 1.80 0.93 0.00 0.00 0.00 175.76 177.22 3icj h GLU 479 N 6.23 0.00 -0.47 0.00 4.39 -1.92 -2.91 114.58 119.91 3icj h GLU 479 Ca 0.05 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 3icj h GLU 479 Cb 0.85 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 3icj h GLU 479 CO 0.74 0.00 0.03 -0.40 -1.16 0.00 0.00 179.01 178.22 3icj n ASP 480 N -2.95 4.90 -4.40 1.42 5.75 -1.26 -4.96 116.55 115.05 3icj n ASP 480 Ca 0.02 -3.02 -0.23 0.00 -0.01 0.00 0.00 54.79 51.55 3icj n ASP 480 Cb 0.40 -0.64 -0.11 0.00 -1.03 0.00 0.00 41.12 39.74 3icj n ASP 480 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3icj s LEU 481 N -2.83 2.50 0.00 -2.12 1.43 -1.10 -0.58 118.68 115.98 3icj s LEU 481 Ca 0.50 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3icj s LEU 481 Cb 0.39 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.65 3icj s LEU 481 CO 0.13 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.32 3icj n GLY 482 N -0.08 1.33 3.29 -3.19 0.00 -1.26 -4.72 105.19 100.56 3icj n GLY 482 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 3icj n GLY 482 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3icj s LYS 483 N -0.74 1.23 -0.32 1.61 1.02 -1.26 -3.20 119.74 118.08 3icj s LYS 483 Ca 0.00 -1.60 0.07 0.00 0.02 0.00 0.00 55.97 54.46 3icj s LYS 483 Cb 0.00 -0.53 0.46 0.00 -0.52 0.00 0.00 37.83 37.24 3icj s LYS 483 CO 0.00 -0.07 1.34 1.28 -0.92 0.00 0.00 175.35 176.98 3icj n LEU 484 N -0.33 4.70 -4.90 3.17 4.77 -0.25 -4.73 117.00 119.43 3icj n LEU 484 Ca -0.06 -4.38 -0.29 0.00 -0.03 0.00 0.00 56.01 51.25 3icj n LEU 484 Cb 0.63 -0.50 0.09 0.00 -2.33 0.00 0.00 43.42 41.31 3icj n LEU 484 CO 0.35 1.77 0.79 -1.61 -1.33 0.00 0.00 177.39 177.35 3icj s GLU 485 N -3.50 2.03 0.14 3.23 0.41 -1.26 -4.78 118.70 114.98 3icj s GLU 485 Ca 0.49 0.15 -0.34 0.00 -0.41 0.00 0.00 54.97 54.85 3icj s GLU 485 Cb 0.41 -1.96 -0.15 0.00 -1.78 0.00 0.00 34.13 30.66 3icj s GLU 485 CO 0.01 -1.55 1.44 -2.13 -0.49 0.00 0.00 175.26 172.53 3icj n ARG 486 N -3.30 1.69 0.00 1.61 0.63 -1.26 -2.50 116.66 113.53 3icj n ARG 486 Ca 0.08 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 3icj n ARG 486 Cb 0.61 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 31.22 3icj n ARG 486 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3icj n GLY 487 N 2.82 3.39 3.79 5.14 0.00 0.04 -4.97 105.19 115.40 3icj n GLY 487 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3icj n GLY 487 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3icj s PHE 488 N -2.64 2.98 0.26 1.61 0.40 -1.04 -4.72 117.98 114.83 3icj s PHE 488 Ca 0.00 1.58 -0.30 0.00 -0.60 0.00 0.00 56.93 57.61 3icj s PHE 488 Cb 0.00 -3.16 -0.10 0.00 0.51 0.00 0.00 43.02 40.27 3icj s PHE 488 CO 0.00 -1.01 1.48 1.03 0.70 0.00 0.00 175.22 177.42 3icj s ARG 489 N -3.01 4.23 -1.30 0.44 0.52 0.26 -0.86 118.95 119.22 3icj s ARG 489 Ca 0.66 2.37 -0.15 0.00 -0.52 0.00 0.00 55.73 58.09 3icj s ARG 489 Cb -0.21 -3.09 0.11 0.00 0.52 0.00 0.00 34.95 32.28 3icj s ARG 489 CO 0.25 -0.48 1.76 0.00 0.02 0.00 0.00 175.30 176.85 3icj n ALA 490 N 2.35 4.28 -3.15 2.13 0.00 -0.40 -4.81 120.51 120.89 3icj n ALA 490 Ca 0.07 -4.04 -0.40 0.00 0.00 0.00 0.00 53.44 49.08 3icj n ALA 490 Cb 0.39 -3.34 -0.11 0.00 0.00 0.00 0.00 19.45 16.39 3icj n ALA 490 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3icj s GLU 491 N 2.71 2.66 0.08 0.00 0.41 -1.26 -4.92 118.70 118.37 3icj s GLU 491 Ca 0.47 -1.29 0.02 0.00 -0.41 0.00 0.00 54.97 53.76 3icj s GLU 491 Cb 0.05 -3.68 -0.04 0.00 -1.78 0.00 0.00 34.13 28.68 3icj s GLU 491 CO 0.02 -0.81 -0.07 1.52 -0.49 0.00 0.00 175.26 175.43 3icj s TYR 492 N 1.45 0.80 0.12 1.61 -0.85 -1.26 -1.20 117.35 118.01 3icj s TYR 492 Ca 0.02 -0.82 0.07 0.00 -0.52 0.00 0.00 57.07 55.82 3icj s TYR 492 Cb -0.21 -0.47 -0.04 0.00 0.38 0.00 0.00 41.96 41.62 3icj s TYR 492 CO 0.03 -0.15 -0.17 0.96 -1.52 0.00 0.00 175.55 174.70 3icj s ILE 493 N -3.07 1.54 -0.16 -3.49 -4.36 -0.21 -4.68 121.20 106.77 3icj s ILE 493 Ca 0.06 -1.64 -0.02 0.00 -0.26 0.00 0.00 60.65 58.79 3icj s ILE 493 Cb 0.02 -1.54 -0.01 0.00 1.25 0.00 0.00 42.46 42.17 3icj s ILE 493 CO -0.04 -0.24 -0.09 -0.63 0.24 0.00 0.00 174.94 174.18 3icj s ILE 494 N -1.66 3.30 0.01 8.37 1.01 -1.26 -1.89 121.20 129.08 3icj s ILE 494 Ca 0.08 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.25 3icj s ILE 494 Cb -0.08 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 3icj s ILE 494 CO 0.04 0.49 -0.23 -0.76 0.00 0.00 0.00 174.94 174.49 3icj s LEU 495 N 0.68 2.10 0.18 2.97 1.43 0.11 -4.98 118.68 121.16 3icj s LEU 495 Ca -0.05 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 52.51 3icj s LEU 495 Cb -0.15 -1.13 0.06 0.00 0.03 0.00 0.00 46.19 45.01 3icj s LEU 495 CO 0.02 0.24 1.55 0.44 0.23 0.00 0.00 176.35 178.83 3icj h ASP 496 N 5.25 0.90 -2.66 2.29 3.32 -1.97 0.14 116.42 123.68 3icj h ASP 496 Ca -0.42 -0.37 -0.57 0.00 0.02 0.00 0.00 57.03 55.69 3icj h ASP 496 Cb 1.14 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.38 3icj h ASP 496 CO 0.46 1.13 -0.55 0.00 -1.72 0.00 0.00 179.24 178.56 3icj s ARG 497 N -4.49 2.97 0.05 3.56 1.70 -1.26 -4.65 118.95 116.82 3icj s ARG 497 Ca -0.10 -0.84 -0.30 0.00 -0.47 0.00 0.00 55.73 54.02 3icj s ARG 497 Cb 0.12 -2.68 -0.09 0.00 -0.57 0.00 0.00 34.95 31.73 3icj s ARG 497 CO 0.86 0.49 1.88 0.34 -1.08 0.00 0.00 175.30 177.79 3icj s ASP 498 N -3.15 6.47 0.29 -2.89 3.68 -1.26 -4.75 116.67 115.07 3icj s ASP 498 Ca 0.31 2.64 0.24 0.00 2.13 0.00 0.00 52.55 57.87 3icj s ASP 498 Cb -0.10 -2.54 1.06 0.00 -1.45 0.00 0.00 42.92 39.89 3icj s ASP 498 CO 0.24 -1.02 1.71 -0.81 0.13 0.00 0.00 175.17 175.42 3icj n PRO 499 N 6.96 0.19 0.00 4.34 -0.04 -1.26 -2.57 135.00 142.62 3icj n PRO 499 Ca 0.19 0.49 0.13 0.00 -0.04 0.00 0.00 63.50 64.27 3icj n PRO 499 Cb 0.41 -1.92 0.39 0.00 -0.04 0.00 0.00 33.50 32.34 3icj n PRO 499 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3icj n LEU 500 N -2.28 0.74 -0.16 1.53 4.77 -1.26 -5.01 117.00 115.32 3icj n LEU 500 Ca 0.01 -0.11 0.15 0.00 -0.03 0.00 0.00 56.01 56.03 3icj n LEU 500 Cb 0.18 -0.19 0.81 0.00 -2.33 0.00 0.00 43.42 41.89 3icj n LEU 500 CO 0.17 0.15 1.03 0.29 -1.33 0.00 0.00 177.39 177.70