#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kz4 h ASP 2 N 0.00 0.09 0.00 6.12 3.04 -2.01 1.02 116.42 124.68 3kz4 h ASP 2 Ca 0.00 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 3kz4 h ASP 2 Cb 0.00 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.33 3kz4 h ASP 2 CO 0.00 -0.06 0.00 0.52 -2.04 0.00 0.00 179.24 177.66 3kz4 n VAL 3 N -4.25 0.00 -0.20 4.15 0.31 -1.26 -1.75 118.33 115.33 3kz4 n VAL 3 Ca 0.38 1.38 -0.03 0.00 -0.01 0.00 0.00 64.34 66.07 3kz4 n VAL 3 Cb 1.66 -2.06 -0.01 0.00 -0.91 0.00 0.00 33.84 32.53 3kz4 n VAL 3 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3kz4 n LEU 4 N -2.22 -0.40 0.00 7.52 7.94 0.35 -0.99 117.00 129.20 3kz4 n LEU 4 Ca 0.00 0.87 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 3kz4 n LEU 4 Cb 0.00 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 43.79 3kz4 n LEU 4 CO 0.00 -0.75 0.46 0.00 -1.11 0.00 0.00 177.39 175.99 3kz4 n TYR 5 N -4.68 0.00 -0.29 1.96 9.36 -0.72 -1.53 117.16 121.27 3kz4 n TYR 5 Ca 0.03 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.22 3kz4 n TYR 5 Cb 0.17 -0.42 -0.01 0.00 -0.63 0.00 0.00 39.34 38.45 3kz4 n TYR 5 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3kz4 n SER 6 N -2.64 -0.59 -0.27 2.98 7.64 -0.16 0.66 113.62 121.25 3kz4 n SER 6 Ca 0.00 1.29 0.29 0.00 1.01 0.00 0.00 58.87 61.46 3kz4 n SER 6 Cb 0.00 -0.25 0.44 0.00 -1.01 0.00 0.00 64.21 63.39 3kz4 n SER 6 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3kz4 n LEU 7 N -5.02 0.00 -0.00 -3.43 4.77 -0.58 -0.69 117.00 112.05 3kz4 n LEU 7 Ca 0.05 0.71 -0.00 0.00 -0.03 0.00 0.00 56.01 56.74 3kz4 n LEU 7 Cb 0.26 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3kz4 n LEU 7 CO -0.11 -0.71 -0.02 -1.20 -1.33 0.00 0.00 177.39 174.03 3kz4 n SER 8 N -3.13 0.08 0.28 -1.43 7.64 0.21 -3.49 113.62 113.77 3kz4 n SER 8 Ca 0.24 0.18 0.06 0.00 1.01 0.00 0.00 58.87 60.36 3kz4 n SER 8 Cb 1.43 -0.51 0.30 0.00 -1.01 0.00 0.00 64.21 64.42 3kz4 n SER 8 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3kz4 h LYS 9 N -0.04 0.00 0.57 1.43 1.63 -1.45 3.03 116.57 121.73 3kz4 h LYS 9 Ca 0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 3kz4 h LYS 9 Cb 0.03 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.66 3kz4 h LYS 9 CO 0.00 0.00 -0.27 1.15 -3.45 0.00 0.00 179.45 176.88 3kz4 h THR 10 N 0.00 0.00 -0.21 1.00 2.02 -1.07 -1.95 112.91 112.69 3kz4 h THR 10 Ca 0.00 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3kz4 h THR 10 Cb 1.30 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3kz4 h THR 10 CO 0.00 0.00 0.09 -0.07 0.37 0.00 0.00 175.52 175.91 3kz4 h LEU 11 N -1.02 0.29 0.55 2.58 3.38 0.53 -2.13 115.31 119.49 3kz4 h LEU 11 Ca -0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3kz4 h LEU 11 Cb 0.59 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3kz4 h LEU 11 CO 0.13 0.37 -0.28 0.50 0.09 0.00 0.00 178.44 179.25 3kz4 h LYS 12 N 0.19 -0.73 0.00 1.13 3.64 -1.06 2.84 116.57 122.59 3kz4 h LYS 12 Ca 0.07 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3kz4 h LYS 12 Cb 0.17 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3kz4 h LYS 12 CO -0.01 -0.49 0.00 -0.25 -2.27 0.00 0.00 179.45 176.44 3kz4 n ASP 13 N -4.09 0.00 0.00 4.20 9.92 -0.73 -1.03 116.55 124.81 3kz4 n ASP 13 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 3kz4 n ASP 13 Cb 0.30 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 3kz4 n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kz4 n ALA 14 N -0.77 1.26 0.00 2.24 0.00 0.59 -3.58 120.51 120.25 3kz4 n ALA 14 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3kz4 n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kz4 n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kz4 n ARG 15 N -2.46 0.00 -0.08 0.00 0.63 0.92 -1.68 116.66 113.98 3kz4 n ARG 15 Ca 0.00 0.18 -0.18 0.00 -0.92 0.00 0.00 57.85 56.94 3kz4 n ARG 15 Cb 0.00 -1.57 -0.06 0.00 0.45 0.00 0.00 32.46 31.28 3kz4 n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3kz4 n ASP 16 N -1.11 1.36 0.00 6.15 8.00 -0.20 -4.68 116.55 126.07 3kz4 n ASP 16 Ca 0.00 0.23 0.15 0.00 0.71 0.00 0.00 54.79 55.88 3kz4 n ASP 16 Cb 0.07 -0.55 0.82 0.00 -0.02 0.00 0.00 41.12 41.44 3kz4 n ASP 16 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kz4 n LYS 17 N -3.88 0.66 -3.75 -1.24 5.02 -0.86 -4.57 118.16 109.54 3kz4 n LYS 17 Ca -0.32 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.63 3kz4 n LYS 17 Cb 0.69 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.10 3kz4 n LYS 17 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kz4 s ILE 18 N -2.32 3.63 0.28 -0.18 1.01 -0.68 -4.97 121.20 117.98 3kz4 s ILE 18 Ca 0.36 -3.30 0.05 0.00 0.00 0.00 0.00 60.65 57.76 3kz4 s ILE 18 Cb 0.20 -3.36 -0.06 0.00 0.01 0.00 0.00 42.46 39.26 3kz4 s ILE 18 CO 0.41 -0.92 -0.02 0.68 0.00 0.00 0.00 174.94 175.09 3kz4 s VAL 19 N -0.47 1.45 -0.32 2.92 -7.23 -1.26 -4.90 120.40 110.58 3kz4 s VAL 19 Ca 0.20 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 3kz4 s VAL 19 Cb -0.17 -2.52 -0.07 0.00 0.56 0.00 0.00 36.38 34.17 3kz4 s VAL 19 CO -0.06 -0.23 2.27 1.21 -0.31 0.00 0.00 175.10 177.98 3kz4 n GLU 20 N -0.59 1.51 0.00 4.82 2.13 -1.26 -3.16 120.64 124.08 3kz4 n GLU 20 Ca -0.05 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.13 3kz4 n GLU 20 Cb 0.64 -3.03 0.00 0.00 0.27 0.00 0.00 31.44 29.32 3kz4 n GLU 20 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kz4 n GLY 21 N 6.04 2.41 3.42 8.31 0.00 -0.44 -5.01 105.19 119.92 3kz4 n GLY 21 Ca 0.35 -0.71 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 3kz4 n GLY 21 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kz4 n THR 22 N 0.00 1.64 -2.13 2.61 5.66 -1.19 -4.22 114.28 116.65 3kz4 n THR 22 Ca 0.00 -0.50 -0.36 0.00 -3.05 0.00 0.00 64.05 60.14 3kz4 n THR 22 Cb 0.00 -0.30 0.01 0.00 -1.55 0.00 0.00 70.33 68.49 3kz4 n THR 22 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3kz4 s LEU 23 N 2.57 3.83 0.02 1.09 0.20 -1.26 -3.10 118.68 122.03 3kz4 s LEU 23 Ca 0.62 2.36 -0.12 0.00 0.69 0.00 0.00 54.13 57.68 3kz4 s LEU 23 Cb -0.74 -4.42 -0.06 0.00 -0.43 0.00 0.00 46.19 40.53 3kz4 s LEU 23 CO 0.59 -1.26 1.17 0.22 -0.29 0.00 0.00 176.35 176.78 3kz4 h TYR 24 N 1.45 -0.40 -0.11 5.38 3.20 0.15 -3.35 116.97 123.30 3kz4 h TYR 24 Ca -0.50 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.40 3kz4 h TYR 24 Cb 1.27 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.66 3kz4 h TYR 24 CO 0.50 -0.24 0.03 -1.13 -1.64 0.00 0.00 178.16 175.69 3kz4 n SER 25 N -3.16 0.02 0.00 -2.11 3.41 -1.26 0.06 113.62 110.57 3kz4 n SER 25 Ca -0.05 0.18 0.07 0.00 -0.26 0.00 0.00 58.87 58.81 3kz4 n SER 25 Cb 0.16 -0.08 0.41 0.00 -0.26 0.00 0.00 64.21 64.44 3kz4 n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kz4 n ASN 26 N -3.51 0.00 0.00 4.04 6.94 -1.26 -2.96 115.26 118.51 3kz4 n ASN 26 Ca 0.03 -0.96 0.00 0.00 -0.02 0.00 0.00 54.58 53.63 3kz4 n ASN 26 Cb 0.12 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 3kz4 n ASN 26 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3kz4 n VAL 27 N -0.81 0.00 -0.18 3.53 0.24 0.11 -4.79 118.33 116.43 3kz4 n VAL 27 Ca 0.10 -0.28 -0.03 0.00 -2.04 0.00 0.00 64.34 62.09 3kz4 n VAL 27 Cb 0.05 0.85 0.03 0.00 -1.47 0.00 0.00 33.84 33.30 3kz4 n VAL 27 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3kz4 h SER 28 N 0.00 -0.80 0.31 -1.34 4.64 -1.59 1.62 113.55 116.38 3kz4 h SER 28 Ca 0.00 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3kz4 h SER 28 Cb 0.00 0.45 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3kz4 h SER 28 CO 0.00 -0.25 0.00 0.44 -0.87 0.00 0.00 176.83 176.15 3kz4 h ASP 29 N -0.10 0.00 0.00 4.97 3.32 -1.87 -3.03 116.42 119.71 3kz4 h ASP 29 Ca 0.25 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 3kz4 h ASP 29 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3kz4 h ASP 29 CO -0.61 0.00 -0.72 -0.11 -1.72 0.00 0.00 179.24 176.08 3kz4 n LEU 30 N -2.83 1.83 -0.31 1.55 7.94 0.48 -4.01 117.00 121.64 3kz4 n LEU 30 Ca -0.01 0.58 -0.08 0.00 -1.11 0.00 0.00 56.01 55.38 3kz4 n LEU 30 Cb 0.13 -0.88 -0.07 0.00 0.53 0.00 0.00 43.42 43.12 3kz4 n LEU 30 CO 0.19 -0.30 0.47 -0.38 -1.11 0.00 0.00 177.39 176.27 3kz4 n ILE 31 N -4.57 -0.50 0.00 1.96 2.08 0.30 -1.80 119.36 116.83 3kz4 n ILE 31 Ca -0.13 2.13 0.00 0.00 0.56 0.00 0.00 62.75 65.30 3kz4 n ILE 31 Cb 0.37 -2.66 0.00 0.00 -0.75 0.00 0.00 39.64 36.60 3kz4 n ILE 31 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kz4 n GLN 32 N -4.69 0.00 -0.22 0.38 1.13 -1.15 -0.07 117.38 112.75 3kz4 n GLN 32 Ca 0.01 0.52 0.02 0.00 -1.94 0.00 0.00 57.00 55.61 3kz4 n GLN 32 Cb 0.19 -0.91 0.06 0.00 0.11 0.00 0.00 30.24 29.69 3kz4 n GLN 32 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 3kz4 n GLN 33 N -1.52 -0.09 0.00 -1.09 -0.06 -0.74 -0.91 117.38 112.96 3kz4 n GLN 33 Ca 0.00 0.94 0.00 0.00 -2.00 0.00 0.00 57.00 55.94 3kz4 n GLN 33 Cb 0.00 -1.40 0.00 0.00 -4.06 0.00 0.00 30.24 24.78 3kz4 n GLN 33 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3kz4 n PHE 34 N -4.94 0.00 -0.36 3.69 7.35 0.89 -2.95 117.46 121.14 3kz4 n PHE 34 Ca 0.08 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.68 3kz4 n PHE 34 Cb 0.28 -0.48 -0.09 0.00 0.35 0.00 0.00 39.48 39.54 3kz4 n PHE 34 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3kz4 n ASN 35 N -2.46 -0.91 -0.14 -2.13 3.02 -0.09 -0.07 115.26 112.49 3kz4 n ASN 35 Ca 0.00 1.63 0.08 0.00 -0.03 0.00 0.00 54.58 56.26 3kz4 n ASN 35 Cb 0.00 -0.25 0.15 0.00 -0.61 0.00 0.00 39.78 39.07 3kz4 n ASN 35 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3kz4 n GLN 36 N -4.96 -0.03 0.00 3.52 -0.06 -1.05 0.29 117.38 115.09 3kz4 n GLN 36 Ca 0.02 0.60 0.00 0.00 -2.00 0.00 0.00 57.00 55.62 3kz4 n GLN 36 Cb 0.22 -0.99 0.00 0.00 -4.06 0.00 0.00 30.24 25.42 3kz4 n GLN 36 CO 0.00 0.00 0.00 -0.12 -0.20 0.00 0.00 177.06 176.74 3kz4 n MET 37 N -4.30 0.00 -0.15 3.69 1.56 0.91 -2.93 117.12 115.90 3kz4 n MET 37 Ca 0.11 0.42 0.00 0.00 -0.27 0.00 0.00 57.70 57.97 3kz4 n MET 37 Cb 0.37 -1.41 0.03 0.00 2.15 0.00 0.00 33.22 34.35 3kz4 n MET 37 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 3kz4 n ILE 38 N -1.76 -0.20 0.02 1.12 5.41 0.15 -0.03 119.36 124.06 3kz4 n ILE 38 Ca 0.00 0.94 -0.03 0.00 1.00 0.00 0.00 62.75 64.67 3kz4 n ILE 38 Cb 0.00 -1.26 -0.02 0.00 -0.71 0.00 0.00 39.64 37.65 3kz4 n ILE 38 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3kz4 h ILE 39 N 0.00 0.00 -1.21 1.39 2.04 -1.45 -1.96 117.51 116.32 3kz4 h ILE 39 Ca 0.16 0.00 0.43 0.00 1.00 0.00 0.00 64.86 66.45 3kz4 h ILE 39 Cb 0.26 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.19 3kz4 h ILE 39 CO -0.41 0.00 0.74 0.74 0.00 0.00 0.00 178.15 179.22 3kz4 h THR 40 N -0.12 0.07 0.00 -0.27 2.02 -0.33 -3.21 112.91 111.07 3kz4 h THR 40 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3kz4 h THR 40 Cb 0.12 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3kz4 h THR 40 CO -0.05 0.01 0.00 0.23 0.37 0.00 0.00 175.52 176.08 3kz4 n MET 41 N -4.92 0.00 -0.13 6.66 2.81 -0.80 -4.79 117.12 115.95 3kz4 n MET 41 Ca 0.38 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 56.21 3kz4 n MET 41 Cb 1.38 -0.54 -0.01 0.00 -0.71 0.00 0.00 33.22 33.35 3kz4 n MET 41 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kz4 n ASN 42 N -0.34 0.09 0.00 7.83 3.02 -0.84 -1.66 115.26 123.35 3kz4 n ASN 42 Ca 0.00 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 3kz4 n ASN 42 Cb 0.00 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 3kz4 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kz4 n GLY 43 N 0.45 3.55 3.77 7.41 0.00 -1.25 -4.96 105.19 114.15 3kz4 n GLY 43 Ca 0.03 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 3kz4 n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kz4 s ASN 44 N 0.00 7.45 0.20 1.61 0.01 -0.67 -4.96 114.94 118.59 3kz4 s ASN 44 Ca 0.00 1.85 0.06 0.00 -0.71 0.00 0.00 52.86 54.06 3kz4 s ASN 44 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 3kz4 s ASN 44 CO 0.00 0.04 0.17 -1.61 -1.51 0.00 0.00 177.10 174.19 3kz4 s GLU 45 N -1.67 2.93 0.05 -0.60 2.02 -1.26 -4.57 118.70 115.60 3kz4 s GLU 45 Ca 0.46 -0.94 0.02 0.00 0.02 0.00 0.00 54.97 54.53 3kz4 s GLU 45 Cb -0.22 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 3kz4 s GLU 45 CO 0.27 0.45 -0.08 -0.06 0.02 0.00 0.00 175.26 175.86 3kz4 s PHE 46 N -1.91 0.70 -0.16 1.61 0.40 -1.18 -5.03 117.98 112.41 3kz4 s PHE 46 Ca 0.32 -0.52 -0.00 0.00 -0.60 0.00 0.00 56.93 56.12 3kz4 s PHE 46 Cb -0.09 -0.42 -0.01 0.00 0.51 0.00 0.00 43.02 43.02 3kz4 s PHE 46 CO 0.24 -0.08 -0.13 -1.14 0.70 0.00 0.00 175.22 174.81 3kz4 s GLN 47 N -1.72 3.30 -0.08 0.44 2.00 -1.26 -2.92 119.66 119.42 3kz4 s GLN 47 Ca -0.08 -0.71 0.02 0.00 -2.00 0.00 0.00 55.36 52.58 3kz4 s GLN 47 Cb -0.09 -2.68 0.02 0.00 0.80 0.00 0.00 33.01 31.05 3kz4 s GLN 47 CO 0.00 0.05 -0.12 0.99 -0.50 0.00 0.00 175.29 175.71 3kz4 s THR 48 N 0.75 1.19 0.00 -0.34 2.01 -1.02 -4.17 115.64 114.06 3kz4 s THR 48 Ca -0.05 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.46 3kz4 s THR 48 Cb -0.15 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.25 3kz4 s THR 48 CO 0.01 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 3kz4 n GLY 49 N 4.08 -1.84 0.00 4.40 0.00 -1.26 -2.15 105.19 108.43 3kz4 n GLY 49 Ca -0.20 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3kz4 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kz4 n GLY 50 N 0.00 1.60 3.01 -0.02 0.00 -1.24 -4.97 105.19 103.56 3kz4 n GLY 50 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3kz4 n GLY 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kz4 s ILE 51 N -2.00 -0.26 0.00 -0.61 2.07 -1.26 -5.06 121.20 114.09 3kz4 s ILE 51 Ca 0.00 0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.48 3kz4 s ILE 51 Cb 0.00 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 42.18 3kz4 s ILE 51 CO 0.00 0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.74 3kz4 n GLY 52 N 4.91 1.20 2.42 1.50 0.00 -1.26 -2.89 105.19 111.08 3kz4 n GLY 52 Ca -0.14 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 3kz4 n GLY 52 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kz4 n ASN 53 N 0.10 6.33 -4.26 1.61 3.02 -0.96 -4.82 115.26 116.28 3kz4 n ASN 53 Ca 0.00 -3.12 -0.37 0.00 -0.03 0.00 0.00 54.58 51.05 3kz4 n ASN 53 Cb 0.00 -1.25 -0.13 0.00 -0.61 0.00 0.00 39.78 37.79 3kz4 n ASN 53 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3kz4 s LEU 54 N -1.93 4.25 1.03 3.41 2.96 -1.14 -4.72 118.68 122.54 3kz4 s LEU 54 Ca 0.59 -1.14 -0.19 0.00 -0.22 0.00 0.00 54.13 53.17 3kz4 s LEU 54 Cb 0.37 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 3kz4 s LEU 54 CO -0.19 -0.31 -0.34 -2.65 -1.32 0.00 0.00 176.35 171.53 3kz4 n PRO 55 N 4.79 -0.70 -3.74 0.98 -0.02 -1.26 -3.71 135.00 131.34 3kz4 n PRO 55 Ca -0.13 -0.19 -0.29 0.00 -2.02 0.00 0.00 63.50 60.88 3kz4 n PRO 55 Cb 0.45 -1.49 -0.12 0.00 -0.02 0.00 0.00 33.50 32.31 3kz4 n PRO 55 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kz4 s ILE 56 N -2.19 1.77 0.08 4.25 1.01 -1.25 -3.89 121.20 120.98 3kz4 s ILE 56 Ca 0.50 -3.14 -0.06 0.00 0.00 0.00 0.00 60.65 57.95 3kz4 s ILE 56 Cb -0.10 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 3kz4 s ILE 56 CO 0.69 -0.97 0.33 -0.13 0.00 0.00 0.00 174.94 174.86 3kz4 s ARG 57 N -0.27 3.62 0.17 2.79 0.52 -0.91 -4.92 118.95 119.94 3kz4 s ARG 57 Ca 0.22 -0.07 0.06 0.00 -0.52 0.00 0.00 55.73 55.42 3kz4 s ARG 57 Cb -0.14 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 3kz4 s ARG 57 CO -0.08 0.55 0.10 -0.80 0.02 0.00 0.00 175.30 175.09 3kz4 s ASN 58 N -2.09 5.29 0.00 0.23 -0.87 -1.26 -2.44 114.94 113.80 3kz4 s ASN 58 Ca 0.35 -0.21 -0.02 0.00 -1.57 0.00 0.00 52.86 51.41 3kz4 s ASN 58 Cb -0.13 -1.31 -0.01 0.00 -0.02 0.00 0.00 41.25 39.78 3kz4 s ASN 58 CO 0.21 0.07 0.03 0.26 -2.57 0.00 0.00 177.10 175.10 3kz4 s TRP 59 N -1.75 0.10 0.14 2.20 0.52 -1.15 -5.03 118.94 113.97 3kz4 s TRP 59 Ca 0.30 -0.20 0.01 0.00 0.02 0.00 0.00 56.10 56.23 3kz4 s TRP 59 Cb -0.10 -0.08 -0.04 0.00 -1.15 0.00 0.00 33.47 32.10 3kz4 s TRP 59 CO 0.22 -0.14 0.00 -0.80 0.02 0.00 0.00 176.95 176.26 3kz4 s ASN 60 N -0.83 0.93 0.03 2.95 0.01 -1.26 -3.10 114.94 113.67 3kz4 s ASN 60 Ca -0.09 -1.15 -0.02 0.00 -0.71 0.00 0.00 52.86 50.89 3kz4 s ASN 60 Cb -0.06 0.16 -0.02 0.00 0.41 0.00 0.00 41.25 41.75 3kz4 s ASN 60 CO -0.00 -0.59 0.01 -0.36 -1.51 0.00 0.00 177.10 174.64 3kz4 s PHE 61 N -3.77 0.27 0.00 2.20 0.40 -1.26 -5.04 117.98 110.78 3kz4 s PHE 61 Ca 0.21 -0.57 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 3kz4 s PHE 61 Cb 0.06 -0.20 0.00 0.00 0.51 0.00 0.00 43.02 43.40 3kz4 s PHE 61 CO 0.01 -0.26 0.00 -0.40 0.70 0.00 0.00 175.22 175.27 3kz4 n ASP 62 N 1.22 0.00 -4.41 1.36 3.85 -1.26 -3.78 116.55 113.53 3kz4 n ASP 62 Ca -0.22 0.00 -0.33 0.00 -0.71 0.00 0.00 54.79 53.53 3kz4 n ASP 62 Cb 0.57 0.00 -0.14 0.00 -1.35 0.00 0.00 41.12 40.20 3kz4 n ASP 62 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 3kz4 s PHE 63 N 0.00 2.84 1.00 2.11 0.40 -1.26 -5.11 117.98 117.96 3kz4 s PHE 63 Ca 0.00 -0.53 -0.16 0.00 -0.60 0.00 0.00 56.93 55.64 3kz4 s PHE 63 Cb 0.00 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 3kz4 s PHE 63 CO 0.00 -0.13 -0.09 0.41 0.70 0.00 0.00 175.22 176.11 3kz4 n GLY 64 N 3.37 -2.76 0.00 4.36 0.00 -1.26 -4.98 105.19 103.93 3kz4 n GLY 64 Ca -0.18 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3kz4 n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kz4 n LEU 65 N 0.00 0.00 -4.11 0.99 4.77 -1.26 -5.12 117.00 112.28 3kz4 n LEU 65 Ca 0.03 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.84 3kz4 n LEU 65 Cb 0.58 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.54 3kz4 n LEU 65 CO 0.51 0.00 -0.43 -0.76 -1.33 0.00 0.00 177.39 175.37 3kz4 s LEU 66 N 0.00 2.22 1.12 2.23 1.43 -1.26 -5.12 118.68 119.30 3kz4 s LEU 66 Ca 0.00 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 3kz4 s LEU 66 Cb 0.00 -0.39 0.26 0.00 0.03 0.00 0.00 46.19 46.09 3kz4 s LEU 66 CO 0.00 -0.08 1.01 0.61 0.23 0.00 0.00 176.35 178.12 3kz4 n GLY 67 N 1.63 -1.69 0.36 -3.19 0.00 -1.26 -5.03 105.19 96.02 3kz4 n GLY 67 Ca -0.20 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3kz4 n GLY 67 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kz4 n THR 68 N -4.82 0.00 -2.64 2.61 -1.04 -1.26 -4.96 114.28 102.16 3kz4 n THR 68 Ca 0.05 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.63 3kz4 n THR 68 Cb 0.54 -0.47 -0.00 0.00 -1.82 0.00 0.00 70.33 68.57 3kz4 n THR 68 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3kz4 s THR 69 N -0.28 4.25 0.00 12.58 2.01 -1.26 -4.82 115.64 128.12 3kz4 s THR 69 Ca 0.00 -1.93 0.00 0.00 0.31 0.00 0.00 61.69 60.07 3kz4 s THR 69 Cb 0.00 -5.14 0.00 0.00 0.01 0.00 0.00 72.50 67.37 3kz4 s THR 69 CO 0.00 -1.95 0.00 0.18 -0.69 0.00 0.00 174.62 172.16 3kz4 n LEU 70 N 7.99 0.00 0.00 4.42 4.77 -1.26 -5.13 117.00 127.79 3kz4 n LEU 70 Ca 0.45 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3kz4 n LEU 70 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3kz4 n LEU 70 CO 0.73 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.97 3kz4 n LEU 71 N 0.00 0.00 -4.51 2.23 4.77 -1.26 -4.95 117.00 113.28 3kz4 n LEU 71 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 3kz4 n LEU 71 Cb 0.00 0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.02 3kz4 n LEU 71 CO 0.00 -0.05 -0.35 0.20 -1.33 0.00 0.00 177.39 175.86 3kz4 s ASN 72 N 1.67 4.80 -0.10 -1.43 -0.87 -1.26 0.18 114.94 117.93 3kz4 s ASN 72 Ca 0.00 -0.11 -0.30 0.00 -1.57 0.00 0.00 52.86 50.88 3kz4 s ASN 72 Cb 0.00 -1.73 -0.02 0.00 -0.02 0.00 0.00 41.25 39.47 3kz4 s ASN 72 CO 0.00 0.19 1.20 -0.76 -2.57 0.00 0.00 177.10 175.16 3kz4 s LEU 73 N 0.23 4.24 0.18 0.60 1.43 -1.18 -4.94 118.68 119.25 3kz4 s LEU 73 Ca -0.03 1.74 -0.23 0.00 -1.03 0.00 0.00 54.13 54.59 3kz4 s LEU 73 Cb -0.14 -3.55 -0.08 0.00 0.03 0.00 0.00 46.19 42.45 3kz4 s LEU 73 CO 0.03 -0.63 0.74 1.51 0.23 0.00 0.00 176.35 178.23 3kz4 s ASP 74 N 1.58 7.24 0.18 2.29 -4.77 -1.26 -1.33 116.67 120.59 3kz4 s ASP 74 Ca 0.55 1.54 -0.12 0.00 -3.30 0.00 0.00 52.55 51.21 3kz4 s ASP 74 Cb -0.23 -2.46 0.20 0.00 -1.09 0.00 0.00 42.92 39.34 3kz4 s ASP 74 CO 0.19 0.15 1.15 0.00 0.70 0.00 0.00 175.17 177.36 3kz4 n ALA 75 N 1.27 -0.06 -0.39 2.11 0.00 -1.26 0.18 120.51 122.36 3kz4 n ALA 75 Ca -0.05 0.75 0.36 0.00 0.00 0.00 0.00 53.44 54.51 3kz4 n ALA 75 Cb 0.50 -0.35 0.72 0.00 0.00 0.00 0.00 19.45 20.31 3kz4 n ALA 75 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3kz4 h ASN 76 N 0.00 0.09 -0.28 0.00 -1.24 -2.01 0.31 115.58 112.45 3kz4 h ASN 76 Ca 0.27 0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.24 3kz4 h ASN 76 Cb 0.46 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 3kz4 h ASN 76 CO -0.74 -0.00 -0.08 0.22 -1.29 0.00 0.00 177.43 175.54 3kz4 h TYR 77 N 0.07 0.61 0.00 0.67 3.20 0.15 -3.16 116.97 118.52 3kz4 h TYR 77 Ca 0.65 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 62.39 3kz4 h TYR 77 Cb 2.42 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 40.54 3kz4 h TYR 77 CO -0.00 0.75 0.00 0.28 -1.64 0.00 0.00 178.16 177.55 3kz4 n VAL 78 N -4.50 0.00 -0.31 1.81 0.31 0.11 -3.02 118.33 112.73 3kz4 n VAL 78 Ca -0.03 1.34 0.26 0.00 -0.01 0.00 0.00 64.34 65.89 3kz4 n VAL 78 Cb 0.32 -2.23 0.48 0.00 -0.91 0.00 0.00 33.84 31.50 3kz4 n VAL 78 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kz4 n GLU 79 N -1.70 -0.06 0.00 5.55 -0.58 -1.15 0.25 120.64 122.96 3kz4 n GLU 79 Ca 0.00 1.32 0.09 0.00 -0.42 0.00 0.00 57.16 58.15 3kz4 n GLU 79 Cb 0.00 -2.30 0.43 0.00 -0.57 0.00 0.00 31.44 29.01 3kz4 n GLU 79 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3kz4 n THR 80 N -5.18 0.54 -0.10 2.62 -2.24 -1.19 -2.35 114.28 106.38 3kz4 n THR 80 Ca 0.32 0.13 -0.20 0.00 -2.27 0.00 0.00 64.05 62.04 3kz4 n THR 80 Cb 1.08 -0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 3kz4 n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kz4 n ALA 81 N -1.33 1.56 -0.32 6.98 0.00 0.71 -4.36 120.51 123.74 3kz4 n ALA 81 Ca 0.08 -0.81 0.17 0.00 0.00 0.00 0.00 53.44 52.87 3kz4 n ALA 81 Cb 0.16 0.19 0.41 0.00 0.00 0.00 0.00 19.45 20.20 3kz4 n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kz4 h ARG 82 N -0.77 0.58 0.00 0.00 3.08 -1.05 0.63 114.38 116.85 3kz4 h ARG 82 Ca -0.43 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 3kz4 h ARG 82 Cb 1.33 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 3kz4 h ARG 82 CO -0.26 0.39 -0.11 -0.97 -1.07 0.00 0.00 179.97 177.94 3kz4 h ASN 83 N 0.60 0.00 0.84 7.04 -0.73 -1.70 -0.42 115.58 121.20 3kz4 h ASN 83 Ca 0.56 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.63 3kz4 h ASN 83 Cb 1.10 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.67 3kz4 h ASN 83 CO -0.32 0.11 -1.23 0.74 -0.37 0.00 0.00 177.43 176.36 3kz4 h THR 84 N 0.00 0.30 0.14 -3.57 2.02 -0.00 -3.36 112.91 108.43 3kz4 h THR 84 Ca -0.00 -1.59 -0.25 0.00 0.77 0.00 0.00 66.41 65.34 3kz4 h THR 84 Cb 0.30 1.82 0.03 0.00 -1.74 0.00 0.00 68.15 68.55 3kz4 h THR 84 CO 0.01 0.17 -1.08 0.40 0.37 0.00 0.00 175.52 175.40 3kz4 h ILE 85 N 0.00 1.37 0.00 3.11 2.04 -0.38 -3.27 117.51 120.38 3kz4 h ILE 85 Ca -0.09 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.28 3kz4 h ILE 85 Cb 1.34 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 40.34 3kz4 h ILE 85 CO 0.03 0.73 0.01 0.47 0.00 0.00 0.00 178.15 179.39 3kz4 n ASP 86 N -3.94 0.00 -0.08 1.72 8.00 -0.24 0.49 116.55 122.50 3kz4 n ASP 86 Ca -0.14 0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.38 3kz4 n ASP 86 Cb 0.92 -0.13 -0.15 0.00 -0.02 0.00 0.00 41.12 41.74 3kz4 n ASP 86 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kz4 n TYR 87 N -1.10 0.27 0.09 1.24 9.36 -1.23 -3.56 117.16 122.22 3kz4 n TYR 87 Ca 0.00 0.09 -0.15 0.00 3.32 0.00 0.00 57.90 61.16 3kz4 n TYR 87 Cb 0.01 -1.05 -0.10 0.00 -0.63 0.00 0.00 39.34 37.57 3kz4 n TYR 87 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3kz4 h PHE 88 N 0.00 0.60 0.00 2.98 -1.00 -0.08 -2.38 116.94 117.06 3kz4 h PHE 88 Ca -0.48 -0.38 0.00 0.00 2.81 0.00 0.00 57.97 59.92 3kz4 h PHE 88 Cb 2.16 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 41.68 3kz4 h PHE 88 CO 0.00 1.24 0.00 0.28 -1.61 0.00 0.00 178.31 178.23 3kz4 n VAL 89 N -3.65 0.00 0.07 -0.55 0.31 0.10 -0.25 118.33 114.35 3kz4 n VAL 89 Ca -0.08 1.12 0.01 0.00 -0.01 0.00 0.00 64.34 65.38 3kz4 n VAL 89 Cb 0.94 -2.12 0.05 0.00 -0.91 0.00 0.00 33.84 31.81 3kz4 n VAL 89 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3kz4 n ASP 90 N -0.89 0.05 0.00 4.52 2.03 -1.23 -1.02 116.55 120.01 3kz4 n ASP 90 Ca 0.00 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.52 3kz4 n ASP 90 Cb 0.00 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 3kz4 n ASP 90 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3kz4 n PHE 91 N -1.42 0.00 -0.31 -0.67 7.35 -0.84 -3.85 117.46 117.71 3kz4 n PHE 91 Ca -0.00 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 56.89 3kz4 n PHE 91 Cb 0.48 -0.27 0.39 0.00 0.35 0.00 0.00 39.48 40.42 3kz4 n PHE 91 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3kz4 n VAL 92 N -1.93 -0.39 0.09 -2.13 0.31 0.66 0.44 118.33 115.37 3kz4 n VAL 92 Ca 0.00 1.98 -0.15 0.00 -0.01 0.00 0.00 64.34 66.16 3kz4 n VAL 92 Cb 0.00 -3.02 -0.09 0.00 -0.91 0.00 0.00 33.84 29.82 3kz4 n VAL 92 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 3kz4 h ASP 93 N 0.00 -1.44 0.00 4.52 3.58 -1.64 0.65 116.42 122.08 3kz4 h ASP 93 Ca 0.66 0.15 0.00 0.00 0.42 0.00 0.00 57.03 58.26 3kz4 h ASP 93 Cb 1.55 0.53 0.00 0.00 1.72 0.00 0.00 39.33 43.13 3kz4 h ASP 93 CO -0.81 -0.49 0.06 0.59 -2.88 0.00 0.00 179.24 175.71 3kz4 n ASN 94 N -5.15 0.35 -0.10 2.28 3.02 0.17 -1.76 115.26 114.07 3kz4 n ASN 94 Ca -0.07 0.63 -0.21 0.00 -0.03 0.00 0.00 54.58 54.90 3kz4 n ASN 94 Cb 0.37 -0.66 -0.10 0.00 -0.61 0.00 0.00 39.78 38.77 3kz4 n ASN 94 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3kz4 n VAL 95 N -1.98 1.52 0.17 2.41 0.31 0.16 -3.61 118.33 117.31 3kz4 n VAL 95 Ca -0.01 -0.04 -0.15 0.00 -0.01 0.00 0.00 64.34 64.14 3kz4 n VAL 95 Cb 0.08 -2.07 -0.08 0.00 -0.91 0.00 0.00 33.84 30.86 3kz4 n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kz4 h MET 97 N -0.75 0.13 -0.97 0.00 2.07 -1.56 -0.35 114.93 113.51 3kz4 h MET 97 Ca -0.03 -0.01 0.02 0.00 -2.07 0.00 0.00 59.70 57.61 3kz4 h MET 97 Cb 0.69 -0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 30.34 3kz4 h MET 97 CO -0.15 0.08 0.64 0.22 1.07 0.00 0.00 176.91 178.78 3kz4 h ASP 98 N 0.13 1.10 -0.38 1.22 3.58 -1.49 -1.61 116.42 118.97 3kz4 h ASP 98 Ca 0.59 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.02 3kz4 h ASP 98 Cb 1.26 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.04 3kz4 h ASP 98 CO -0.74 0.79 0.00 1.21 -2.88 0.00 0.00 179.24 177.61 3kz4 n GLU 99 N -4.40 2.26 -1.23 0.28 4.07 -0.30 -4.16 120.64 117.16 3kz4 n GLU 99 Ca 0.12 -1.91 -0.25 0.00 -0.06 0.00 0.00 57.16 55.06 3kz4 n GLU 99 Cb 0.03 -1.47 0.16 0.00 -0.06 0.00 0.00 31.44 30.11 3kz4 n GLU 99 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 3kz4 n MET 100 N 1.11 2.31 0.00 5.31 2.81 -0.31 -4.31 117.12 124.03 3kz4 n MET 100 Ca 0.18 -3.07 0.00 0.00 -1.81 0.00 0.00 57.70 53.00 3kz4 n MET 100 Cb 0.50 -2.18 0.00 0.00 -0.71 0.00 0.00 33.22 30.83 3kz4 n MET 100 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3kz4 n VAL 101 N -1.11 0.00 -2.32 2.03 0.24 -1.25 -4.76 118.33 111.16 3kz4 n VAL 101 Ca 0.59 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.50 3kz4 n VAL 101 Cb 1.48 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.83 3kz4 n VAL 101 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3kz4 s ARG 102 N -0.91 4.28 -0.04 7.34 0.52 -1.26 -4.96 118.95 123.92 3kz4 s ARG 102 Ca 0.00 1.89 -0.04 0.00 -0.52 0.00 0.00 55.73 57.07 3kz4 s ARG 102 Cb 0.00 -2.89 0.01 0.00 0.52 0.00 0.00 34.95 32.58 3kz4 s ARG 102 CO 0.00 -0.14 0.11 -1.83 0.02 0.00 0.00 175.30 173.46 3kz4 s GLU 103 N -1.97 0.15 0.12 3.54 -1.05 -1.26 -5.02 118.70 113.21 3kz4 s GLU 103 Ca 0.52 0.10 0.04 0.00 -0.15 0.00 0.00 54.97 55.48 3kz4 s GLU 103 Cb -0.33 0.07 -0.04 0.00 -0.44 0.00 0.00 34.13 33.40 3kz4 s GLU 103 CO 0.42 -0.02 -0.11 0.45 0.95 0.00 0.00 175.26 176.95 3kz4 s SER 104 N -0.07 1.63 -0.12 0.83 0.15 -1.26 -4.83 113.70 110.03 3kz4 s SER 104 Ca -0.01 -0.88 -0.12 0.00 0.70 0.00 0.00 55.95 55.64 3kz4 s SER 104 Cb -0.01 -0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 3kz4 s SER 104 CO 0.00 -0.27 -0.23 0.00 1.20 0.00 0.00 173.24 173.94 3kz4 n GLN 105 N 0.32 0.36 -0.27 5.44 6.02 -1.26 -2.49 117.38 125.49 3kz4 n GLN 105 Ca -0.14 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3kz4 n GLN 105 Cb 0.59 -1.16 0.07 0.00 1.02 0.00 0.00 30.24 30.76 3kz4 n GLN 105 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 3kz4 h ARG 106 N -0.68 -0.04 -2.00 -1.09 -0.00 -2.02 -3.11 114.38 105.44 3kz4 h ARG 106 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 59.98 59.48 3kz4 h ARG 106 Cb 0.65 0.01 -0.40 0.00 -0.00 0.00 0.00 29.97 30.23 3kz4 h ARG 106 CO 0.00 -0.02 -1.17 -1.71 -0.00 0.00 0.00 179.97 177.06 3kz4 n ASN 107 N -5.50 0.74 -0.94 0.08 5.15 -1.26 -4.90 115.26 108.63 3kz4 n ASN 107 Ca 0.10 -2.95 0.05 0.00 -0.60 0.00 0.00 54.58 51.18 3kz4 n ASN 107 Cb 0.39 -0.62 0.19 0.00 -0.53 0.00 0.00 39.78 39.22 3kz4 n ASN 107 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kz4 n GLY 108 N 0.52 1.43 0.09 8.20 0.00 -1.04 -3.64 105.19 110.76 3kz4 n GLY 108 Ca 0.24 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.91 3kz4 n GLY 108 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3kz4 n ILE 109 N 0.55 0.47 -3.14 -0.61 0.13 -1.26 -4.00 119.36 111.50 3kz4 n ILE 109 Ca 0.14 -0.54 -0.01 0.00 -1.10 0.00 0.00 62.75 61.24 3kz4 n ILE 109 Cb 0.50 -0.26 0.00 0.00 -0.84 0.00 0.00 39.64 39.05 3kz4 n ILE 109 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3kz4 n ALA 110 N -2.20 0.08 -1.76 1.51 0.00 -1.24 -4.87 120.51 112.02 3kz4 n ALA 110 Ca -0.01 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 52.91 3kz4 n ALA 110 Cb 0.56 0.05 0.01 0.00 0.00 0.00 0.00 19.45 20.07 3kz4 n ALA 110 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kz4 s PRO 111 N -2.18 3.46 0.09 0.00 0.02 -1.26 -5.01 135.00 130.12 3kz4 s PRO 111 Ca 0.04 1.90 0.00 0.00 0.02 0.00 0.00 61.00 62.95 3kz4 s PRO 111 Cb -0.00 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.24 3kz4 s PRO 111 CO 0.02 -0.83 0.00 1.04 -0.33 0.00 0.00 177.00 176.90 3kz4 n GLN 112 N -0.83 0.00 -1.46 5.54 1.13 -1.26 -4.86 117.38 115.63 3kz4 n GLN 112 Ca 0.09 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.76 3kz4 n GLN 112 Cb 0.48 -0.32 0.03 0.00 0.11 0.00 0.00 30.24 30.54 3kz4 n GLN 112 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3kz4 n SER 113 N -3.23 -0.99 0.01 1.08 3.41 -1.26 -4.60 113.62 108.04 3kz4 n SER 113 Ca 0.00 0.78 0.05 0.00 -0.26 0.00 0.00 58.87 59.44 3kz4 n SER 113 Cb 0.00 -1.16 0.20 0.00 -0.26 0.00 0.00 64.21 62.99 3kz4 n SER 113 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kz4 n ASP 114 N 0.73 0.03 -0.08 4.04 10.43 -1.26 -0.53 116.55 129.91 3kz4 n ASP 114 Ca 0.11 0.51 -0.13 0.00 2.57 0.00 0.00 54.79 57.85 3kz4 n ASP 114 Cb 0.45 -0.52 -0.09 0.00 1.84 0.00 0.00 41.12 42.81 3kz4 n ASP 114 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 3kz4 h SER 115 N 0.00 0.00 0.07 -2.24 0.02 -1.89 -3.38 113.55 106.13 3kz4 h SER 115 Ca 0.00 -0.51 -0.25 0.00 -0.84 0.00 0.00 61.79 60.19 3kz4 h SER 115 Cb 0.15 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.72 3kz4 h SER 115 CO 0.00 1.06 -1.00 0.25 -1.14 0.00 0.00 176.83 175.99 3kz4 h LEU 116 N -1.00 0.76 -1.62 5.07 5.85 -1.78 -3.19 115.31 119.40 3kz4 h LEU 116 Ca -0.12 -0.81 0.17 0.00 0.84 0.00 0.00 57.88 57.96 3kz4 h LEU 116 Cb 0.88 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3kz4 h LEU 116 CO -0.08 1.48 0.71 -0.09 -0.34 0.00 0.00 178.44 180.13 3kz4 h ARG 117 N 0.13 0.00 0.00 1.25 9.65 -1.04 1.45 114.38 125.83 3kz4 h ARG 117 Ca -0.15 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 3kz4 h ARG 117 Cb 1.70 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.28 3kz4 h ARG 117 CO 0.19 0.00 -0.82 -0.22 2.80 0.00 0.00 179.97 181.92 3kz4 h LYS 118 N 0.00 0.00 0.11 0.20 3.64 -1.73 -3.36 116.57 115.43 3kz4 h LYS 118 Ca 0.28 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.37 3kz4 h LYS 118 Cb 1.70 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.55 3kz4 h LYS 118 CO -0.00 0.00 -1.19 -0.07 -2.27 0.00 0.00 179.45 175.92 3kz4 h LEU 119 N 0.00 0.86 0.00 5.20 3.38 0.20 -3.03 115.31 121.92 3kz4 h LEU 119 Ca 0.00 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.15 3kz4 h LEU 119 Cb 0.97 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3kz4 h LEU 119 CO 0.00 1.59 0.00 -1.54 0.09 0.00 0.00 178.44 178.58 3kz4 n SER 120 N -3.83 0.00 -4.35 -0.43 3.41 -0.95 -4.69 113.62 102.77 3kz4 n SER 120 Ca -0.13 0.49 -0.34 0.00 -0.26 0.00 0.00 58.87 58.62 3kz4 n SER 120 Cb 0.96 -0.49 0.09 0.00 -0.26 0.00 0.00 64.21 64.51 3kz4 n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kz4 n GLY 121 N -1.03 -2.44 0.13 5.00 0.00 -1.15 -4.91 105.19 100.79 3kz4 n GLY 121 Ca 0.01 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 3kz4 n GLY 121 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kz4 h LEU 122 N -1.21 0.38 0.00 0.99 5.85 -1.89 -3.24 115.31 116.19 3kz4 h LEU 122 Ca -0.44 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 57.63 3kz4 h LEU 122 Cb 1.30 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3kz4 h LEU 122 CO 0.34 0.97 0.05 2.29 -0.34 0.00 0.00 178.44 181.75 3kz4 n LYS 123 N -4.44 0.00 -0.10 1.25 2.85 -1.26 -1.47 118.16 114.99 3kz4 n LYS 123 Ca -0.08 0.13 -0.11 0.00 -1.05 0.00 0.00 58.31 57.20 3kz4 n LYS 123 Cb 0.49 -1.55 -0.13 0.00 -0.65 0.00 0.00 35.03 33.19 3kz4 n LYS 123 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3kz4 n PHE 124 N -1.04 0.00 0.00 5.58 3.01 -1.22 -4.47 117.46 119.31 3kz4 n PHE 124 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3kz4 n PHE 124 Cb 0.05 -0.88 0.00 0.00 -0.01 0.00 0.00 39.48 38.64 3kz4 n PHE 124 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3kz4 n LYS 125 N -2.83 0.00 0.00 -1.08 3.00 -0.54 -2.79 118.16 113.91 3kz4 n LYS 125 Ca -0.33 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.09 3kz4 n LYS 125 Cb 1.03 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 34.21 3kz4 n LYS 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3kz4 n ARG 126 N -1.09 0.24 0.00 1.64 1.74 -1.26 -3.75 116.66 114.19 3kz4 n ARG 126 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kz4 n ARG 126 Cb 0.36 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 3kz4 n ARG 126 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3kz4 n ILE 127 N 0.34 0.00 -0.37 0.55 5.41 -1.12 -4.85 119.36 119.32 3kz4 n ILE 127 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 3kz4 n ILE 127 Cb 0.06 -0.36 -0.02 0.00 -0.71 0.00 0.00 39.64 38.61 3kz4 n ILE 127 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3kz4 n ASN 128 N -2.13 -0.04 -3.65 4.38 5.15 -1.25 -4.95 115.26 112.77 3kz4 n ASN 128 Ca 0.00 0.28 -0.01 0.00 -0.60 0.00 0.00 54.58 54.25 3kz4 n ASN 128 Cb 0.28 -0.23 -0.01 0.00 -0.53 0.00 0.00 39.78 39.29 3kz4 n ASN 128 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 3kz4 s PHE 129 N -0.03 -0.10 -0.45 1.20 -0.71 -1.26 -5.06 117.98 111.57 3kz4 s PHE 129 Ca 0.22 -0.06 -0.07 0.00 -1.04 0.00 0.00 56.93 55.98 3kz4 s PHE 129 Cb -0.30 0.57 0.01 0.00 -1.21 0.00 0.00 43.02 42.09 3kz4 s PHE 129 CO 0.14 -0.45 0.38 -3.47 -1.34 0.00 0.00 175.22 170.48 3kz4 n ASP 130 N -0.43 -3.06 -3.70 1.98 4.64 -1.26 -4.66 116.55 110.07 3kz4 n ASP 130 Ca -0.07 -0.47 -0.41 0.00 -1.38 0.00 0.00 54.79 52.46 3kz4 n ASP 130 Cb 0.62 -0.98 0.01 0.00 -1.04 0.00 0.00 41.12 39.72 3kz4 n ASP 130 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 3kz4 n ASN 131 N -0.98 6.88 -0.82 1.67 5.03 -1.26 -4.60 115.26 121.18 3kz4 n ASN 131 Ca -0.16 -3.29 0.09 0.00 0.87 0.00 0.00 54.58 52.09 3kz4 n ASN 131 Cb 0.43 -1.34 0.13 0.00 -1.02 0.00 0.00 39.78 37.98 3kz4 n ASN 131 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3kz4 n SER 132 N 1.86 2.81 -4.55 6.41 3.41 -1.26 -4.38 113.62 117.91 3kz4 n SER 132 Ca 0.47 -1.83 -0.41 0.00 -0.26 0.00 0.00 58.87 56.85 3kz4 n SER 132 Cb 0.29 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 3kz4 n SER 132 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3kz4 s SER 133 N -1.36 6.06 0.00 4.04 0.15 -1.26 -4.87 113.70 116.45 3kz4 s SER 133 Ca 0.26 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.62 3kz4 s SER 133 Cb 0.17 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 3kz4 s SER 133 CO 0.24 -1.88 0.00 1.21 1.20 0.00 0.00 173.24 174.00 3kz4 n GLU 134 N 9.27 0.00 -0.03 5.44 2.13 -1.26 0.39 120.64 136.58 3kz4 n GLU 134 Ca 0.06 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.71 3kz4 n GLU 134 Cb 0.49 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.13 3kz4 n GLU 134 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 3kz4 h TYR 135 N 0.00 0.90 -0.27 4.31 -1.99 -1.98 -2.86 116.97 115.08 3kz4 h TYR 135 Ca 0.00 -0.39 -0.12 0.00 2.00 0.00 0.00 58.73 60.23 3kz4 h TYR 135 Cb 0.00 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 38.58 3kz4 h TYR 135 CO 0.00 1.19 -0.29 0.97 -0.00 0.00 0.00 178.16 180.04 3kz4 h ILE 136 N 0.35 1.31 -1.00 -2.88 6.09 -0.43 0.63 117.51 121.58 3kz4 h ILE 136 Ca -0.04 -1.46 0.32 0.00 -1.37 0.00 0.00 64.86 62.32 3kz4 h ILE 136 Cb 1.25 1.62 -0.15 0.00 0.47 0.00 0.00 36.82 40.01 3kz4 h ILE 136 CO 0.13 0.46 0.55 -0.08 -3.07 0.00 0.00 178.15 176.14 3kz4 h GLU 137 N 0.41 0.30 0.00 2.19 4.81 -1.52 0.62 114.58 121.38 3kz4 h GLU 137 Ca 0.04 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.06 3kz4 h GLU 137 Cb 0.86 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 3kz4 h GLU 137 CO 0.07 0.20 -1.18 -0.91 -0.73 0.00 0.00 179.01 176.45 3kz4 h ASN 138 N 0.31 0.00 0.48 1.04 2.35 -1.22 -3.27 115.58 115.27 3kz4 h ASN 138 Ca 0.73 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.45 3kz4 h ASN 138 Cb 1.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.04 3kz4 h ASN 138 CO -0.62 0.76 -0.23 -0.25 -1.65 0.00 0.00 177.43 175.44 3kz4 h TRP 139 N 0.00 -0.60 -0.02 1.19 2.91 0.26 -2.99 115.95 116.69 3kz4 h TRP 139 Ca -0.12 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 59.90 3kz4 h TRP 139 Cb 1.68 0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 30.50 3kz4 h TRP 139 CO 0.00 -0.35 -0.31 -0.91 -1.03 0.00 0.00 178.44 175.84 3kz4 h ASN 140 N -0.71 -0.97 -0.51 2.65 2.35 -1.42 -1.59 115.58 115.38 3kz4 h ASN 140 Ca -0.07 0.11 0.15 0.00 -0.55 0.00 0.00 56.30 55.94 3kz4 h ASN 140 Cb 0.53 0.37 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 3kz4 h ASN 140 CO 0.11 -0.30 0.87 -0.07 -1.65 0.00 0.00 177.43 176.39 3kz4 h LEU 141 N -0.38 0.00 0.10 1.61 3.38 -1.61 1.46 115.31 119.87 3kz4 h LEU 141 Ca 0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.69 3kz4 h LEU 141 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3kz4 h LEU 141 CO -0.22 0.00 -1.48 -0.61 0.09 0.00 0.00 178.44 176.22 3kz4 h GLN 142 N 0.00 0.20 0.43 1.13 -0.00 -1.15 -0.28 115.11 115.44 3kz4 h GLN 142 Ca 0.24 -0.35 -0.02 0.00 -0.00 0.00 0.00 58.65 58.53 3kz4 h GLN 142 Cb 1.98 0.13 0.00 0.00 0.00 0.00 0.00 27.48 29.59 3kz4 h GLN 142 CO -0.00 1.05 -0.20 -0.97 0.00 0.00 0.00 178.83 178.71 3kz4 h ASN 143 N 0.06 -0.49 0.59 -0.69 -0.73 0.26 -2.47 115.58 112.11 3kz4 h ASN 143 Ca -0.22 -0.07 -0.06 0.00 1.87 0.00 0.00 56.30 57.82 3kz4 h ASN 143 Cb 1.99 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 40.69 3kz4 h ASN 143 CO 0.15 -0.22 -0.29 0.03 -0.37 0.00 0.00 177.43 176.73 3kz4 h ARG 144 N -0.75 0.00 -0.34 6.67 3.08 -1.42 -3.49 114.38 118.13 3kz4 h ARG 144 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3kz4 h ARG 144 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3kz4 h ARG 144 CO 0.10 0.29 0.00 0.54 -1.07 0.00 0.00 179.97 179.83 3kz4 n ARG 145 N -3.70 0.00 -3.74 0.04 1.74 -0.16 -5.09 116.66 105.75 3kz4 n ARG 145 Ca -0.01 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3kz4 n ARG 145 Cb 0.40 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.84 3kz4 n ARG 145 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3kz4 n GLN 146 N 0.94 -2.69 -1.58 5.56 6.02 -0.92 -4.89 117.38 119.81 3kz4 n GLN 146 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 3kz4 n GLN 146 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 3kz4 n GLN 146 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3kz4 s ARG 147 N -1.73 1.31 0.00 -1.09 3.52 -1.26 -4.79 118.95 114.91 3kz4 s ARG 147 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 3kz4 s ARG 147 Cb 0.00 -4.89 0.00 0.00 -1.56 0.00 0.00 34.95 28.50 3kz4 s ARG 147 CO 0.00 -5.13 0.00 0.25 -0.81 0.00 0.00 175.30 169.61 3kz4 n THR 148 N 8.98 0.00 0.00 4.11 -2.24 -1.26 -5.07 114.28 118.80 3kz4 n THR 148 Ca 0.44 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.22 3kz4 n THR 148 Cb 0.45 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3kz4 n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kz4 n GLY 149 N 2.92 3.04 3.26 3.38 0.00 -1.26 -4.96 105.19 111.58 3kz4 n GLY 149 Ca 0.00 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 3kz4 n GLY 149 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kz4 s PHE 150 N -1.84 1.41 -0.15 1.61 0.40 -0.91 -4.89 117.98 113.61 3kz4 s PHE 150 Ca 0.00 -1.38 0.00 0.00 -0.60 0.00 0.00 56.93 54.95 3kz4 s PHE 150 Cb 0.00 -0.71 -0.01 0.00 0.51 0.00 0.00 43.02 42.81 3kz4 s PHE 150 CO 0.00 -0.59 -0.14 0.99 0.70 0.00 0.00 175.22 176.18 3kz4 s THR 151 N -3.87 2.83 0.03 0.64 2.01 -1.26 -3.55 115.64 112.47 3kz4 s THR 151 Ca 0.38 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.69 3kz4 s THR 151 Cb 0.06 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 3kz4 s THR 151 CO 0.16 0.52 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.14 3kz4 s PHE 152 N 0.64 0.84 -0.14 4.92 0.40 -1.11 -5.03 117.98 118.50 3kz4 s PHE 152 Ca -0.08 -0.35 -0.02 0.00 -0.60 0.00 0.00 56.93 55.88 3kz4 s PHE 152 Cb -0.16 -0.50 -0.03 0.00 0.51 0.00 0.00 43.02 42.84 3kz4 s PHE 152 CO 0.03 -0.02 -0.06 -1.58 0.70 0.00 0.00 175.22 174.29 3kz4 s HIS 153 N -0.91 2.97 -1.25 0.36 5.65 -1.26 -2.84 115.29 118.02 3kz4 s HIS 153 Ca -0.03 -0.31 -0.32 0.00 0.25 0.00 0.00 55.06 54.65 3kz4 s HIS 153 Cb -0.07 -1.90 0.04 0.00 -1.18 0.00 0.00 32.58 29.47 3kz4 s HIS 153 CO 0.01 -0.01 0.62 1.63 -0.65 0.00 0.00 174.74 176.34 3kz4 n LYS 154 N 3.32 -0.33 -0.74 2.88 5.02 0.38 -1.15 118.16 127.55 3kz4 n LYS 154 Ca -0.18 0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 55.86 3kz4 n LYS 154 Cb 0.53 -2.64 0.14 0.00 -0.02 0.00 0.00 35.03 33.04 3kz4 n LYS 154 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kz4 n PRO 155 N -5.02 -1.26 -3.64 1.97 -0.04 -1.26 -2.45 135.00 123.30 3kz4 n PRO 155 Ca -0.13 -0.35 -0.27 0.00 -0.04 0.00 0.00 63.50 62.70 3kz4 n PRO 155 Cb 0.58 -1.57 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 3kz4 n PRO 155 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3kz4 n ASN 156 N -0.68 2.58 -0.03 3.54 2.85 0.11 -2.65 115.26 120.98 3kz4 n ASN 156 Ca 0.00 -3.13 0.00 0.00 -0.11 0.00 0.00 54.58 51.34 3kz4 n ASN 156 Cb 0.64 -0.70 -0.14 0.00 1.24 0.00 0.00 39.78 40.83 3kz4 n ASN 156 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kz4 n ILE 157 N 1.70 0.86 -3.37 -1.44 0.13 -0.75 -4.56 119.36 111.93 3kz4 n ILE 157 Ca 0.24 -0.69 -0.40 0.00 -1.10 0.00 0.00 62.75 60.80 3kz4 n ILE 157 Cb 0.40 -0.39 -0.09 0.00 -0.84 0.00 0.00 39.64 38.72 3kz4 n ILE 157 CO 0.00 0.00 0.00 -0.36 2.80 0.00 0.00 176.55 178.99 3kz4 s PHE 158 N -2.98 3.21 0.54 9.51 2.99 0.18 -4.61 117.98 126.83 3kz4 s PHE 158 Ca -0.07 0.13 -0.21 0.00 0.00 0.00 0.00 56.93 56.78 3kz4 s PHE 158 Cb 0.09 -2.69 -0.05 0.00 0.00 0.00 0.00 43.02 40.37 3kz4 s PHE 158 CO 0.85 -0.39 1.23 -1.25 -0.00 0.00 0.00 175.22 175.66 3kz4 s PRO 159 N 2.10 3.28 0.19 0.24 0.04 -1.26 -1.62 135.00 137.97 3kz4 s PRO 159 Ca 0.14 1.91 -0.33 0.00 0.04 0.00 0.00 61.00 62.76 3kz4 s PRO 159 Cb -0.16 -2.17 -0.13 0.00 0.04 0.00 0.00 34.50 32.08 3kz4 s PRO 159 CO 0.11 -0.98 1.60 0.98 0.04 0.00 0.00 177.00 178.75 3kz4 n TYR 160 N -1.08 2.41 -3.61 0.56 9.36 -1.25 -4.40 117.16 119.15 3kz4 n TYR 160 Ca 0.11 0.23 -0.08 0.00 3.32 0.00 0.00 57.90 61.48 3kz4 n TYR 160 Cb 0.48 -2.57 -0.09 0.00 -0.63 0.00 0.00 39.34 36.53 3kz4 n TYR 160 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3kz4 s SER 161 N 0.89 -0.29 -0.20 2.98 0.15 -0.06 -4.99 113.70 112.17 3kz4 s SER 161 Ca 0.76 0.95 -0.02 0.00 0.70 0.00 0.00 55.95 58.34 3kz4 s SER 161 Cb -0.62 1.42 0.06 0.00 -1.71 0.00 0.00 66.02 65.16 3kz4 s SER 161 CO 0.38 -0.24 0.02 0.00 1.20 0.00 0.00 173.24 174.60 3kz4 s ALA 162 N 2.63 1.19 0.00 5.45 0.00 -1.26 -0.56 121.76 129.21 3kz4 s ALA 162 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3kz4 s ALA 162 Cb -0.12 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.77 3kz4 s ALA 162 CO -0.14 -1.18 0.00 0.45 0.00 0.00 0.00 175.76 174.90 3kz4 n SER 163 N 4.98 0.00 -3.95 0.00 2.88 -0.98 -5.00 113.62 111.55 3kz4 n SER 163 Ca -0.10 -0.82 -0.10 0.00 -1.33 0.00 0.00 58.87 56.52 3kz4 n SER 163 Cb 0.47 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.86 3kz4 n SER 163 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3kz4 s PHE 164 N -7.22 0.35 -0.09 0.66 -0.12 -1.26 -1.11 117.98 109.19 3kz4 s PHE 164 Ca 0.00 -0.70 -0.03 0.00 -0.05 0.00 0.00 56.93 56.15 3kz4 s PHE 164 Cb 0.00 0.06 0.05 0.00 -0.63 0.00 0.00 43.02 42.50 3kz4 s PHE 164 CO 0.00 -0.83 0.12 0.99 -0.05 0.00 0.00 175.22 175.45 3kz4 s THR 165 N -3.98 -0.20 -0.44 -4.49 2.01 0.48 -4.97 115.64 104.05 3kz4 s THR 165 Ca 0.19 0.29 -0.20 0.00 0.31 0.00 0.00 61.69 62.27 3kz4 s THR 165 Cb 0.02 -0.30 0.03 0.00 0.01 0.00 0.00 72.50 72.25 3kz4 s THR 165 CO 0.03 0.09 0.64 -0.76 -0.69 0.00 0.00 174.62 173.92 3kz4 s LEU 166 N 2.24 4.55 0.31 4.42 1.43 -1.26 -1.50 118.68 128.86 3kz4 s LEU 166 Ca 0.04 -0.40 0.17 0.00 -1.03 0.00 0.00 54.13 52.91 3kz4 s LEU 166 Cb -0.13 -2.69 0.13 0.00 0.03 0.00 0.00 46.19 43.53 3kz4 s LEU 166 CO -0.06 -0.79 1.46 0.78 0.23 0.00 0.00 176.35 177.98 3kz4 h ASN 167 N 8.89 0.00 -3.31 2.29 2.35 0.15 -3.43 115.58 122.52 3kz4 h ASN 167 Ca -0.26 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.19 3kz4 h ASN 167 Cb 1.10 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 39.11 3kz4 h ASN 167 CO 0.90 0.37 -0.68 -0.60 -1.65 0.00 0.00 177.43 175.77 3kz4 s ARG 168 N -3.03 -0.01 0.23 0.81 3.52 -0.70 -4.96 118.95 114.81 3kz4 s ARG 168 Ca 0.04 0.39 -0.16 0.00 -0.13 0.00 0.00 55.73 55.88 3kz4 s ARG 168 Cb 0.07 -0.32 0.01 0.00 -1.56 0.00 0.00 34.95 33.15 3kz4 s ARG 168 CO 0.73 -0.26 0.53 -1.54 -0.81 0.00 0.00 175.30 173.95 3kz4 s SER 169 N 1.78 -0.19 0.12 -2.12 1.04 -1.26 -1.52 113.70 111.56 3kz4 s SER 169 Ca -0.01 -0.67 -0.17 0.00 0.48 0.00 0.00 55.95 55.58 3kz4 s SER 169 Cb -0.12 0.60 0.04 0.00 0.10 0.00 0.00 66.02 66.64 3kz4 s SER 169 CO -0.04 -1.13 0.42 0.00 0.98 0.00 0.00 173.24 173.46 3kz4 s GLN 170 N -3.94 1.08 0.29 4.02 0.00 -1.26 -5.03 119.66 114.82 3kz4 s GLN 170 Ca 0.14 -0.68 -0.02 0.00 -0.00 0.00 0.00 55.36 54.81 3kz4 s GLN 170 Cb -0.02 0.48 0.63 0.00 0.00 0.00 0.00 33.01 34.10 3kz4 s GLN 170 CO 0.03 -0.42 1.58 -1.35 0.00 0.00 0.00 175.29 175.13 3kz4 h PRO 171 N 2.36 0.02 0.00 9.60 0.11 -2.02 0.18 132.00 142.26 3kz4 h PRO 171 Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3kz4 h PRO 171 Cb 1.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kz4 h PRO 171 CO 0.46 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.26 3kz4 h ALA 172 N 1.95 1.00 -6.26 -0.75 0.00 -2.01 -3.47 119.26 109.72 3kz4 h ALA 172 Ca 0.54 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.99 3kz4 h ALA 172 Cb 1.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3kz4 h ALA 172 CO -0.91 0.00 -0.83 0.72 0.00 0.00 0.00 179.25 178.23 3kz4 n HIS 173 N -2.76 -1.92 0.48 0.00 8.25 0.65 -4.89 115.22 115.02 3kz4 n HIS 173 Ca 0.01 0.83 0.05 0.00 -0.26 0.00 0.00 57.72 58.36 3kz4 n HIS 173 Cb 0.27 -4.09 0.02 0.00 1.12 0.00 0.00 29.99 27.31 3kz4 n HIS 173 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3kz4 n ASP 174 N -2.97 1.57 -2.93 0.41 3.85 -1.26 -4.57 116.55 110.65 3kz4 n ASP 174 Ca -0.21 -1.29 -0.14 0.00 -0.71 0.00 0.00 54.79 52.44 3kz4 n ASP 174 Cb 0.64 0.26 -0.00 0.00 -1.35 0.00 0.00 41.12 40.66 3kz4 n ASP 174 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3kz4 n ASN 175 N 0.16 -1.79 -4.95 -1.12 5.15 -1.26 -4.39 115.26 107.06 3kz4 n ASN 175 Ca 0.05 -3.02 -0.23 0.00 -0.60 0.00 0.00 54.58 50.79 3kz4 n ASN 175 Cb 0.25 0.87 -0.01 0.00 -0.53 0.00 0.00 39.78 40.36 3kz4 n ASN 175 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3kz4 s LEU 176 N -0.68 4.00 -0.16 1.20 1.43 -1.26 -4.48 118.68 118.72 3kz4 s LEU 176 Ca 0.33 0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.69 3kz4 s LEU 176 Cb 0.18 -3.21 0.06 0.00 0.03 0.00 0.00 46.19 43.25 3kz4 s LEU 176 CO -0.18 -0.33 0.40 -0.32 0.23 0.00 0.00 176.35 176.14 3kz4 s MET 177 N -4.30 0.38 0.00 1.70 1.75 -0.58 -0.82 119.30 117.42 3kz4 s MET 177 Ca 0.41 0.76 0.00 0.00 -1.25 0.00 0.00 55.69 55.61 3kz4 s MET 177 Cb -0.10 -0.03 0.00 0.00 2.84 0.00 0.00 34.83 37.55 3kz4 s MET 177 CO 0.35 -0.16 0.00 0.41 -0.65 0.00 0.00 175.02 174.98 3kz4 n GLY 178 N 4.22 -0.53 3.13 2.11 0.00 -0.60 0.90 105.19 114.43 3kz4 n GLY 178 Ca -0.23 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 3kz4 n GLY 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kz4 s THR 179 N -3.04 0.67 0.03 2.61 -4.23 -0.56 -0.98 115.64 110.14 3kz4 s THR 179 Ca 0.00 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 3kz4 s THR 179 Cb 0.00 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.54 3kz4 s THR 179 CO 0.00 -0.67 -0.05 0.00 -0.54 0.00 0.00 174.62 173.36 3kz4 s MET 180 N -2.95 0.39 0.28 3.99 0.00 -0.63 -0.38 119.30 120.00 3kz4 s MET 180 Ca 0.04 -0.60 -0.13 0.00 0.00 0.00 0.00 55.69 55.00 3kz4 s MET 180 Cb -0.01 -0.10 0.01 0.00 0.00 0.00 0.00 34.83 34.73 3kz4 s MET 180 CO -0.02 0.01 0.55 1.67 0.00 0.00 0.00 175.02 177.22 3kz4 s TRP 181 N -1.23 0.34 -0.16 3.16 -2.14 -0.27 -1.12 118.94 117.53 3kz4 s TRP 181 Ca -0.11 -0.73 -0.04 0.00 2.66 0.00 0.00 56.10 57.88 3kz4 s TRP 181 Cb -0.09 0.31 0.07 0.00 -3.10 0.00 0.00 33.47 30.66 3kz4 s TRP 181 CO -0.00 -1.11 0.16 -1.17 -2.66 0.00 0.00 176.95 172.17 3kz4 s LEU 182 N -3.04 0.04 -0.23 -4.66 2.96 -0.56 -2.31 118.68 110.89 3kz4 s LEU 182 Ca 0.21 -0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 3kz4 s LEU 182 Cb -0.02 0.15 -0.02 0.00 0.50 0.00 0.00 46.19 46.80 3kz4 s LEU 182 CO 0.10 -0.31 0.01 0.20 -1.32 0.00 0.00 176.35 175.03 3kz4 s ASN 183 N 2.26 4.75 -0.29 3.68 0.01 0.27 -1.58 114.94 124.04 3kz4 s ASN 183 Ca 0.05 -0.28 -0.14 0.00 -0.71 0.00 0.00 52.86 51.78 3kz4 s ASN 183 Cb -0.15 -1.83 0.10 0.00 0.41 0.00 0.00 41.25 39.78 3kz4 s ASN 183 CO -0.10 -0.01 0.69 0.00 -1.51 0.00 0.00 177.10 176.18 3kz4 s ALA 184 N 1.44 -1.96 0.00 0.60 0.00 -0.44 -0.88 121.76 120.51 3kz4 s ALA 184 Ca 0.05 2.39 0.00 0.00 0.00 0.00 0.00 51.96 54.40 3kz4 s ALA 184 Cb -0.15 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.42 3kz4 s ALA 184 CO 0.01 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.62 3kz4 n GLY 185 N 4.65 2.42 0.66 0.00 0.00 -0.64 -1.59 105.19 110.69 3kz4 n GLY 185 Ca -0.17 0.02 0.06 0.00 0.00 0.00 0.00 46.02 45.93 3kz4 n GLY 185 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kz4 n SER 186 N 10.16 2.91 -4.34 1.61 3.41 -1.09 -0.65 113.62 125.62 3kz4 n SER 186 Ca 0.00 -1.97 -0.28 0.00 -0.26 0.00 0.00 58.87 56.37 3kz4 n SER 186 Cb 0.00 -0.23 -0.13 0.00 -0.26 0.00 0.00 64.21 63.59 3kz4 n SER 186 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3kz4 s GLU 187 N -1.00 1.40 -0.04 4.33 2.12 -0.62 -1.07 118.70 123.83 3kz4 s GLU 187 Ca 0.24 -1.22 0.02 0.00 0.36 0.00 0.00 54.97 54.36 3kz4 s GLU 187 Cb 0.12 -1.75 0.01 0.00 0.26 0.00 0.00 34.13 32.77 3kz4 s GLU 187 CO 0.16 0.42 -0.07 0.42 -0.54 0.00 0.00 175.26 175.65 3kz4 s ILE 188 N -1.02 0.69 -0.05 -3.70 1.01 -0.27 -1.32 121.20 116.54 3kz4 s ILE 188 Ca 0.11 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.52 3kz4 s ILE 188 Cb -0.10 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.73 3kz4 s ILE 188 CO 0.04 0.24 -0.10 -1.10 0.00 0.00 0.00 174.94 174.03 3kz4 s GLN 189 N 0.53 1.30 -0.04 2.79 -0.21 -0.62 -0.97 119.66 122.44 3kz4 s GLN 189 Ca -0.08 -0.32 -0.03 0.00 0.02 0.00 0.00 55.36 54.95 3kz4 s GLN 189 Cb -0.12 -1.14 0.01 0.00 1.00 0.00 0.00 33.01 32.77 3kz4 s GLN 189 CO 0.01 0.04 0.09 0.54 -2.12 0.00 0.00 175.29 173.84 3kz4 s VAL 190 N 0.57 -0.01 0.03 1.09 0.11 -0.81 -1.49 120.40 119.89 3kz4 s VAL 190 Ca -0.10 0.05 0.07 0.00 -2.93 0.00 0.00 61.98 59.06 3kz4 s VAL 190 Cb -0.13 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 3kz4 s VAL 190 CO 0.02 0.02 -0.20 0.00 -3.33 0.00 0.00 175.10 171.61 3kz4 s ALA 191 N 0.31 1.67 -0.12 1.54 0.00 -0.27 -1.35 121.76 123.53 3kz4 s ALA 191 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3kz4 s ALA 191 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 3kz4 s ALA 191 CO -0.01 0.38 -0.14 0.20 0.00 0.00 0.00 175.76 176.18 3kz4 s GLY 192 N -1.00 1.52 0.08 0.00 0.00 0.68 -1.60 107.32 106.99 3kz4 s GLY 192 Ca 0.07 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 43.96 3kz4 s GLY 192 CO 0.01 -0.23 -0.20 -0.11 0.00 0.00 0.00 173.10 172.57 3kz4 s PHE 193 N 0.31 1.74 -0.27 1.90 -0.12 -0.15 -1.09 117.98 120.28 3kz4 s PHE 193 Ca -0.11 -0.40 -0.02 0.00 -0.05 0.00 0.00 56.93 56.35 3kz4 s PHE 193 Cb -0.16 -0.99 0.12 0.00 -0.63 0.00 0.00 43.02 41.36 3kz4 s PHE 193 CO 0.06 0.15 0.24 0.34 -0.05 0.00 0.00 175.22 175.95 3kz4 s ASP 194 N -1.59 2.14 0.50 1.98 -1.08 -0.46 -1.56 116.67 116.60 3kz4 s ASP 194 Ca 0.06 -0.81 0.22 0.00 -0.52 0.00 0.00 52.55 51.50 3kz4 s ASP 194 Cb -0.09 0.24 1.29 0.00 -1.46 0.00 0.00 42.92 42.90 3kz4 s ASP 194 CO 0.03 -0.39 1.99 1.88 0.52 0.00 0.00 175.17 179.20 3kz4 h TYR 195 N 8.31 0.13 -0.00 -5.34 0.99 -1.24 -1.12 116.97 118.71 3kz4 h TYR 195 Ca -0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.58 3kz4 h TYR 195 Cb 1.07 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 38.76 3kz4 h TYR 195 CO 0.26 0.06 -0.04 -1.13 -0.00 0.00 0.00 178.16 177.30 3kz4 n SER 196 N -4.41 0.23 -3.89 3.88 3.41 -1.26 -4.64 113.62 106.94 3kz4 n SER 196 Ca 0.10 -0.50 -0.28 0.00 -0.26 0.00 0.00 58.87 57.92 3kz4 n SER 196 Cb 0.54 -0.14 0.02 0.00 -0.26 0.00 0.00 64.21 64.37 3kz4 n SER 196 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kz4 n ALA 198 N -4.56 -0.82 -0.28 0.00 0.00 -1.26 -4.42 120.51 109.17 3kz4 n ALA 198 Ca -0.05 0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.55 3kz4 n ALA 198 Cb 0.57 -1.82 0.27 0.00 0.00 0.00 0.00 19.45 18.47 3kz4 n ALA 198 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3kz4 h ILE 199 N -0.20 1.03 -0.27 0.00 6.09 -1.71 -2.36 117.51 120.09 3kz4 h ILE 199 Ca -0.33 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 62.83 3kz4 h ILE 199 Cb 1.24 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.53 3kz4 h ILE 199 CO 0.39 0.17 0.00 0.59 -3.07 0.00 0.00 178.15 176.24 3kz4 n ASN 200 N -4.50 3.08 -4.84 2.19 3.02 -1.26 -4.95 115.26 108.01 3kz4 n ASN 200 Ca 0.14 -2.35 -0.35 0.00 -0.03 0.00 0.00 54.58 51.99 3kz4 n ASN 200 Cb 0.23 -0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 3kz4 n ASN 200 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kz4 s ALA 201 N -1.63 3.47 0.08 5.41 0.00 -0.89 -5.00 121.76 123.21 3kz4 s ALA 201 Ca 0.27 -0.00 -0.33 0.00 0.00 0.00 0.00 51.96 51.90 3kz4 s ALA 201 Cb 0.18 -2.67 -0.12 0.00 0.00 0.00 0.00 23.12 20.51 3kz4 s ALA 201 CO 0.11 0.39 1.76 -0.35 0.00 0.00 0.00 175.76 177.67 3kz4 n PRO 202 N 0.48 2.41 -1.29 0.00 -0.04 -1.26 0.05 135.00 135.35 3kz4 n PRO 202 Ca -0.02 0.88 -0.10 0.00 -0.04 0.00 0.00 63.50 64.22 3kz4 n PRO 202 Cb 0.52 -2.72 -0.04 0.00 -0.04 0.00 0.00 33.50 31.22 3kz4 n PRO 202 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kz4 n ALA 203 N 5.10 -0.15 -3.81 0.55 0.00 -1.26 -2.48 120.51 118.46 3kz4 n ALA 203 Ca 0.19 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.50 3kz4 n ALA 203 Cb 0.32 -1.49 0.01 0.00 0.00 0.00 0.00 19.45 18.29 3kz4 n ALA 203 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kz4 n ASN 204 N -0.64 -4.41 -3.97 0.00 4.13 0.11 -4.83 115.26 105.64 3kz4 n ASN 204 Ca -0.10 -0.71 -0.22 0.00 1.68 0.00 0.00 54.58 55.23 3kz4 n ASN 204 Cb 0.47 -3.56 -0.16 0.00 -1.54 0.00 0.00 39.78 34.99 3kz4 n ASN 204 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3kz4 s THR 205 N -3.21 0.82 -0.18 3.41 2.01 -1.04 -0.26 115.64 117.20 3kz4 s THR 205 Ca 0.61 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 62.27 3kz4 s THR 205 Cb -0.31 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 3kz4 s THR 205 CO 0.75 0.28 -0.05 -1.58 -0.69 0.00 0.00 174.62 173.33 3kz4 s GLN 206 N 0.68 3.53 0.16 4.92 2.00 0.13 -4.46 119.66 126.61 3kz4 s GLN 206 Ca -0.11 -0.58 -0.18 0.00 -2.00 0.00 0.00 55.36 52.49 3kz4 s GLN 206 Cb -0.14 -2.92 -0.07 0.00 0.80 0.00 0.00 33.01 30.67 3kz4 s GLN 206 CO 0.02 0.07 0.64 -1.14 -0.50 0.00 0.00 175.29 174.38 3kz4 s GLN 207 N 0.79 4.17 0.17 1.67 2.00 -1.26 -1.04 119.66 126.16 3kz4 s GLN 207 Ca -0.02 0.73 0.05 0.00 -2.00 0.00 0.00 55.36 54.12 3kz4 s GLN 207 Cb -0.15 -2.99 -0.05 0.00 0.80 0.00 0.00 33.01 30.63 3kz4 s GLN 207 CO 0.02 0.48 -0.09 -0.06 -0.50 0.00 0.00 175.29 175.14 3kz4 s PHE 208 N -1.40 1.39 -0.19 1.67 0.40 0.10 -4.97 117.98 114.99 3kz4 s PHE 208 Ca 0.38 -0.77 -0.24 0.00 -0.60 0.00 0.00 56.93 55.70 3kz4 s PHE 208 Cb -0.17 -0.72 0.06 0.00 0.51 0.00 0.00 43.02 42.70 3kz4 s PHE 208 CO 0.20 0.09 0.65 -2.00 0.70 0.00 0.00 175.22 174.86 3kz4 s GLU 209 N -3.76 0.83 -0.04 0.44 2.12 -1.26 -2.17 118.70 114.86 3kz4 s GLU 209 Ca 0.20 0.71 -0.01 0.00 0.36 0.00 0.00 54.97 56.23 3kz4 s GLU 209 Cb 0.03 0.40 0.03 0.00 0.26 0.00 0.00 34.13 34.85 3kz4 s GLU 209 CO 0.03 -0.15 0.03 -1.58 -0.54 0.00 0.00 175.26 173.05 3kz4 s HIS 210 N -0.09 0.28 -0.09 5.30 5.65 0.12 -4.99 115.29 121.47 3kz4 s HIS 210 Ca -0.03 0.07 0.03 0.00 0.25 0.00 0.00 55.06 55.37 3kz4 s HIS 210 Cb -0.04 -0.52 -0.01 0.00 -1.18 0.00 0.00 32.58 30.83 3kz4 s HIS 210 CO 0.03 -0.20 -0.18 0.42 -0.65 0.00 0.00 174.74 174.16 3kz4 s ILE 211 N 1.71 2.67 -0.11 0.89 1.01 -1.26 -0.02 121.20 126.09 3kz4 s ILE 211 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3kz4 s ILE 211 Cb -0.13 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.31 3kz4 s ILE 211 CO -0.03 0.55 -0.10 -0.69 0.00 0.00 0.00 174.94 174.67 3kz4 s VAL 212 N 0.00 1.18 -0.33 2.92 1.01 0.08 -5.00 120.40 120.26 3kz4 s VAL 212 Ca -0.06 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 3kz4 s VAL 212 Cb -0.15 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 3kz4 s VAL 212 CO 0.05 0.39 0.23 -1.10 0.00 0.00 0.00 175.10 174.66 3kz4 s GLN 213 N 1.39 3.50 0.46 2.72 -0.21 -1.26 -0.93 119.66 125.33 3kz4 s GLN 213 Ca -0.00 -0.64 -0.21 0.00 0.02 0.00 0.00 55.36 54.53 3kz4 s GLN 213 Cb -0.13 -3.77 -0.09 0.00 1.00 0.00 0.00 33.01 30.02 3kz4 s GLN 213 CO -0.06 -0.43 1.04 -0.51 -2.12 0.00 0.00 175.29 173.22 3kz4 s LEU 214 N 1.71 3.93 0.24 2.90 1.43 0.28 -4.93 118.68 124.24 3kz4 s LEU 214 Ca 0.06 1.97 0.25 0.00 -1.03 0.00 0.00 54.13 55.38 3kz4 s LEU 214 Cb -0.17 -4.45 0.66 0.00 0.03 0.00 0.00 46.19 42.26 3kz4 s LEU 214 CO 0.10 -0.70 1.68 0.03 0.23 0.00 0.00 176.35 177.69 3kz4 h ARG 215 N 1.84 0.00 -3.69 1.70 2.47 -1.85 -3.45 114.38 111.39 3kz4 h ARG 215 Ca -0.49 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.08 3kz4 h ARG 215 Cb 1.22 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.33 3kz4 h ARG 215 CO 0.60 0.00 -0.57 1.03 0.56 0.00 0.00 179.97 181.59 3kz4 s ARG 216 N -3.13 0.43 0.29 0.04 1.81 -1.26 -5.03 118.95 112.10 3kz4 s ARG 216 Ca 0.09 -0.50 -0.29 0.00 -1.72 0.00 0.00 55.73 53.32 3kz4 s ARG 216 Cb 0.11 0.17 -0.10 0.00 -0.45 0.00 0.00 34.95 34.69 3kz4 s ARG 216 CO 0.63 -0.09 1.12 0.08 -0.68 0.00 0.00 175.30 176.36 3kz4 s VAL 217 N -1.48 3.40 -0.06 3.52 1.01 -1.26 -4.80 120.40 120.73 3kz4 s VAL 217 Ca -0.15 1.39 0.03 0.00 0.00 0.00 0.00 61.98 63.26 3kz4 s VAL 217 Cb -0.08 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3kz4 s VAL 217 CO 0.00 0.32 -0.13 -0.76 0.00 0.00 0.00 175.10 174.53 3kz4 s LEU 218 N -1.54 2.78 0.30 3.92 1.43 -0.49 -4.45 118.68 120.62 3kz4 s LEU 218 Ca 0.46 -0.19 0.10 0.00 -1.03 0.00 0.00 54.13 53.46 3kz4 s LEU 218 Cb -0.33 -1.57 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 3kz4 s LEU 218 CO 0.42 0.33 -0.13 0.42 0.23 0.00 0.00 176.35 177.62 3kz4 s THR 219 N -0.63 2.16 -1.63 5.49 -4.23 -0.20 -1.49 115.64 115.10 3kz4 s THR 219 Ca 0.09 -2.26 -0.14 0.00 -1.18 0.00 0.00 61.69 58.20 3kz4 s THR 219 Cb -0.11 -2.43 0.12 0.00 1.34 0.00 0.00 72.50 71.41 3kz4 s THR 219 CO 0.01 -0.33 0.70 0.35 -0.54 0.00 0.00 174.62 174.81 3kz4 n THR 220 N -0.65 -1.48 -2.85 3.99 -2.24 -0.72 -0.78 114.28 109.54 3kz4 n THR 220 Ca -0.05 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 3kz4 n THR 220 Cb 0.62 -1.91 -0.04 0.00 -2.10 0.00 0.00 70.33 66.91 3kz4 n THR 220 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kz4 s ALA 221 N -3.46 3.25 -0.28 6.98 0.00 -0.63 -4.25 121.76 123.38 3kz4 s ALA 221 Ca 0.57 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 3kz4 s ALA 221 Cb -0.31 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 3kz4 s ALA 221 CO 0.92 -0.21 0.20 0.99 0.00 0.00 0.00 175.76 177.65 3kz4 s THR 222 N 1.02 5.31 0.00 0.00 2.01 -0.21 -1.63 115.64 122.14 3kz4 s THR 222 Ca 0.46 0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.67 3kz4 s THR 222 Cb -0.19 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 3kz4 s THR 222 CO 0.23 0.23 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.58 3kz4 s ILE 223 N 1.76 1.45 -0.20 1.82 1.01 0.01 -0.77 121.20 126.27 3kz4 s ILE 223 Ca 0.07 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 3kz4 s ILE 223 Cb -0.16 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 3kz4 s ILE 223 CO 0.11 0.33 0.08 -0.89 0.00 0.00 0.00 174.94 174.56 3kz4 s THR 224 N -0.54 4.74 -0.10 2.92 2.01 0.08 -0.83 115.64 123.92 3kz4 s THR 224 Ca 0.07 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.05 3kz4 s THR 224 Cb -0.07 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.28 3kz4 s THR 224 CO -0.00 0.42 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.96 3kz4 s LEU 225 N 0.74 1.80 0.05 4.42 1.98 -0.22 -0.51 118.68 126.95 3kz4 s LEU 225 Ca 0.04 -0.45 0.04 0.00 -2.89 0.00 0.00 54.13 50.87 3kz4 s LEU 225 Cb -0.13 -1.13 -0.02 0.00 0.66 0.00 0.00 46.19 45.56 3kz4 s LEU 225 CO 0.02 0.05 -0.11 -0.76 -1.89 0.00 0.00 176.35 173.66 3kz4 s LEU 226 N 0.82 2.24 0.57 -0.68 1.43 0.22 -0.27 118.68 123.01 3kz4 s LEU 226 Ca -0.10 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.31 3kz4 s LEU 226 Cb -0.16 -0.34 -0.05 0.00 0.03 0.00 0.00 46.19 45.67 3kz4 s LEU 226 CO 0.01 -0.12 1.02 -2.16 0.23 0.00 0.00 176.35 175.33 3kz4 s PRO 227 N -1.53 3.62 0.00 1.29 0.04 -1.26 -0.88 135.00 136.29 3kz4 s PRO 227 Ca -0.05 0.98 0.00 0.00 0.04 0.00 0.00 61.00 61.96 3kz4 s PRO 227 Cb -0.09 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3kz4 s PRO 227 CO 0.01 -0.55 0.00 -0.25 0.04 0.00 0.00 177.00 176.26 3kz4 n ASP 228 N -2.08 -0.31 -3.90 6.66 8.00 0.15 -4.69 116.55 120.37 3kz4 n ASP 228 Ca 0.07 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.27 3kz4 n ASP 228 Cb 0.54 0.86 -0.14 0.00 -0.02 0.00 0.00 41.12 42.36 3kz4 n ASP 228 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kz4 s ALA 229 N -3.05 2.91 0.36 2.24 0.00 -1.26 -3.25 121.76 119.71 3kz4 s ALA 229 Ca 0.00 -2.93 0.09 0.00 0.00 0.00 0.00 51.96 49.12 3kz4 s ALA 229 Cb 0.00 -2.04 0.82 0.00 0.00 0.00 0.00 23.12 21.90 3kz4 s ALA 229 CO 0.00 -1.95 1.89 0.93 0.00 0.00 0.00 175.76 176.63 3kz4 h GLU 230 N 6.82 0.66 -0.11 0.00 5.08 -1.93 -0.75 114.58 124.36 3kz4 h GLU 230 Ca -0.06 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3kz4 h GLU 230 Cb 0.93 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3kz4 h GLU 230 CO 0.61 0.44 0.11 -0.09 -1.00 0.00 0.00 179.01 179.08 3kz4 h ARG 231 N 0.68 0.00 -0.41 2.33 2.43 -2.00 -2.09 114.38 115.33 3kz4 h ARG 231 Ca 0.42 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.30 3kz4 h ARG 231 Cb 0.65 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.98 3kz4 h ARG 231 CO -0.18 0.00 -0.54 1.19 -1.51 0.00 0.00 179.97 178.93 3kz4 n PHE 232 N -3.90 1.45 0.06 2.20 3.01 -0.30 -4.61 117.46 115.37 3kz4 n PHE 232 Ca -0.00 -1.89 0.05 0.00 1.01 0.00 0.00 57.45 56.62 3kz4 n PHE 232 Cb 0.22 -0.36 0.11 0.00 -0.01 0.00 0.00 39.48 39.44 3kz4 n PHE 232 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3kz4 n SER 233 N -0.93 2.53 -4.45 4.37 7.64 -0.79 -4.89 113.62 117.10 3kz4 n SER 233 Ca 0.33 -1.80 -0.23 0.00 1.01 0.00 0.00 58.87 58.18 3kz4 n SER 233 Cb 0.85 -0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 63.81 3kz4 n SER 233 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3kz4 s PHE 234 N -0.96 2.18 0.28 1.43 -0.12 -1.26 -4.77 117.98 114.76 3kz4 s PHE 234 Ca 0.19 -0.39 -0.30 0.00 -0.05 0.00 0.00 56.93 56.37 3kz4 s PHE 234 Cb 0.11 -0.98 -0.12 0.00 -0.63 0.00 0.00 43.02 41.40 3kz4 s PHE 234 CO 0.15 0.64 1.62 -2.30 -0.05 0.00 0.00 175.22 175.27 3kz4 n PRO 235 N -0.58 2.72 -4.00 1.99 -0.02 -1.26 -4.60 135.00 129.25 3kz4 n PRO 235 Ca -0.06 0.97 -0.09 0.00 -2.02 0.00 0.00 63.50 62.31 3kz4 n PRO 235 Cb 0.60 -2.77 -0.11 0.00 -0.02 0.00 0.00 33.50 31.21 3kz4 n PRO 235 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kz4 s ARG 236 N -0.25 0.41 -0.23 -0.52 0.52 0.51 -4.99 118.95 114.39 3kz4 s ARG 236 Ca 0.66 -0.75 -0.01 0.00 -0.52 0.00 0.00 55.73 55.11 3kz4 s ARG 236 Cb -0.50 0.15 0.02 0.00 0.52 0.00 0.00 34.95 35.15 3kz4 s ARG 236 CO 0.46 -0.07 -0.09 0.08 0.02 0.00 0.00 175.30 175.69 3kz4 s VAL 237 N -2.11 2.68 0.18 3.52 1.01 -1.26 0.13 120.40 124.55 3kz4 s VAL 237 Ca -0.10 -1.02 0.11 0.00 0.00 0.00 0.00 61.98 60.97 3kz4 s VAL 237 Cb -0.05 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3kz4 s VAL 237 CO -0.03 0.27 -0.21 -0.63 0.00 0.00 0.00 175.10 174.49 3kz4 s ILE 238 N 1.31 2.52 0.36 2.22 1.01 -0.06 -4.92 121.20 123.64 3kz4 s ILE 238 Ca 0.01 -1.89 -0.25 0.00 0.00 0.00 0.00 60.65 58.51 3kz4 s ILE 238 Cb -0.16 -2.20 -0.09 0.00 0.01 0.00 0.00 42.46 40.01 3kz4 s ILE 238 CO -0.06 -0.07 1.01 0.20 0.00 0.00 0.00 174.94 176.01 3kz4 s ASN 239 N -2.58 7.03 0.84 3.58 0.02 -1.26 -0.32 114.94 122.25 3kz4 s ASN 239 Ca 0.20 1.96 -0.11 0.00 -1.02 0.00 0.00 52.86 53.89 3kz4 s ASN 239 Cb -0.09 -2.58 0.10 0.00 0.02 0.00 0.00 41.25 38.70 3kz4 s ASN 239 CO 0.10 -0.30 1.09 -0.94 0.02 0.00 0.00 177.10 177.08 3kz4 s SER 240 N -1.56 3.92 0.31 -1.22 1.04 0.57 -4.80 113.70 111.95 3kz4 s SER 240 Ca 0.54 1.61 0.05 0.00 0.48 0.00 0.00 55.95 58.63 3kz4 s SER 240 Cb -0.21 -2.30 0.69 0.00 0.10 0.00 0.00 66.02 64.30 3kz4 s SER 240 CO 0.26 -2.37 1.82 0.00 0.98 0.00 0.00 173.24 173.93 3kz4 h ALA 241 N -1.36 1.66 -0.03 5.32 0.00 -1.96 -0.54 119.26 122.35 3kz4 h ALA 241 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kz4 h ALA 241 Cb 1.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kz4 h ALA 241 CO 0.54 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.43 3kz4 n ASP 242 N -4.65 1.18 0.00 0.00 5.75 -1.26 -4.92 116.55 112.64 3kz4 n ASP 242 Ca 0.20 -1.43 0.00 0.00 -0.01 0.00 0.00 54.79 53.55 3kz4 n ASP 242 Cb 0.47 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 3kz4 n ASP 242 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kz4 n GLY 243 N 1.12 0.52 0.23 6.12 0.00 -0.21 -4.87 105.19 108.10 3kz4 n GLY 243 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 3kz4 n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kz4 h ALA 244 N 0.00 0.97 -2.50 4.61 0.00 -1.92 -3.46 119.26 116.96 3kz4 h ALA 244 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3kz4 h ALA 244 Cb 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kz4 h ALA 244 CO 0.00 0.08 0.03 -2.37 0.00 0.00 0.00 179.25 177.00 3kz4 n THR 245 N -3.13 0.00 -4.52 0.00 5.66 -1.26 -5.03 114.28 106.00 3kz4 n THR 245 Ca 0.03 -0.34 -0.21 0.00 -3.05 0.00 0.00 64.05 60.48 3kz4 n THR 245 Cb 0.49 0.27 -0.15 0.00 -1.55 0.00 0.00 70.33 69.39 3kz4 n THR 245 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3kz4 s THR 246 N -2.68 1.03 0.29 1.09 -4.23 -1.26 -0.32 115.64 109.55 3kz4 s THR 246 Ca 0.05 -0.66 0.09 0.00 -1.18 0.00 0.00 61.69 59.99 3kz4 s THR 246 Cb -0.01 -0.88 -0.04 0.00 1.34 0.00 0.00 72.50 72.91 3kz4 s THR 246 CO 0.04 0.21 0.06 -1.66 -0.54 0.00 0.00 174.62 172.73 3kz4 s TRP 247 N -0.45 2.74 -0.16 3.99 1.48 0.57 -4.91 118.94 122.21 3kz4 s TRP 247 Ca 0.04 -0.26 -0.04 0.00 -1.06 0.00 0.00 56.10 54.78 3kz4 s TRP 247 Cb -0.06 -1.35 -0.03 0.00 -1.16 0.00 0.00 33.47 30.88 3kz4 s TRP 247 CO -0.00 0.53 -0.02 -0.47 -4.06 0.00 0.00 176.95 172.93 3kz4 s TYR 248 N -2.34 3.06 -0.19 1.66 5.04 -1.26 -0.88 117.35 122.44 3kz4 s TYR 248 Ca 0.33 -0.22 -0.00 0.00 -2.44 0.00 0.00 57.07 54.74 3kz4 s TYR 248 Cb -0.05 -1.97 0.01 0.00 0.35 0.00 0.00 41.96 40.30 3kz4 s TYR 248 CO 0.21 0.01 -0.16 0.12 -1.34 0.00 0.00 175.55 174.39 3kz4 s PHE 249 N 0.32 2.83 -0.58 4.97 5.36 0.12 -4.99 117.98 126.00 3kz4 s PHE 249 Ca -0.03 -1.47 0.06 0.00 -0.96 0.00 0.00 56.93 54.53 3kz4 s PHE 249 Cb -0.14 -1.97 0.21 0.00 -0.34 0.00 0.00 43.02 40.78 3kz4 s PHE 249 CO 0.02 -0.74 0.56 -1.71 -1.46 0.00 0.00 175.22 171.89 3kz4 n ASN 250 N 4.66 2.22 -4.77 6.13 5.15 -1.26 -0.36 115.26 127.03 3kz4 n ASN 250 Ca -0.20 -3.07 -0.35 0.00 -0.60 0.00 0.00 54.58 50.36 3kz4 n ASN 250 Cb 0.50 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 3kz4 n ASN 250 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3kz4 s PRO 251 N -1.51 3.38 -0.06 1.20 0.05 -1.26 -1.15 135.00 135.65 3kz4 s PRO 251 Ca 0.33 1.63 0.01 0.00 0.05 0.00 0.00 61.00 63.02 3kz4 s PRO 251 Cb 0.07 -2.03 0.02 0.00 0.05 0.00 0.00 34.50 32.61 3kz4 s PRO 251 CO -0.11 -0.84 -0.05 0.54 0.05 0.00 0.00 177.00 176.59 3kz4 s VAL 252 N -1.75 0.62 -0.12 -0.36 0.11 -0.73 -4.79 120.40 113.38 3kz4 s VAL 252 Ca 0.72 -0.14 -0.11 0.00 -2.93 0.00 0.00 61.98 59.52 3kz4 s VAL 252 Cb -0.24 -0.66 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 3kz4 s VAL 252 CO 0.28 0.26 0.25 -0.63 -3.33 0.00 0.00 175.10 171.92 3kz4 s ILE 253 N 1.14 5.32 0.24 7.04 -1.09 -1.26 -1.08 121.20 131.51 3kz4 s ILE 253 Ca -0.07 0.46 0.10 0.00 -2.23 0.00 0.00 60.65 58.91 3kz4 s ILE 253 Cb -0.14 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 3kz4 s ILE 253 CO -0.01 0.52 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.27 3kz4 s LEU 254 N -0.39 2.56 0.25 2.97 1.02 -0.35 -4.94 118.68 119.80 3kz4 s LEU 254 Ca 0.17 -1.01 -0.30 0.00 0.02 0.00 0.00 54.13 53.01 3kz4 s LEU 254 Cb -0.13 -0.92 -0.09 0.00 0.02 0.00 0.00 46.19 45.06 3kz4 s LEU 254 CO 0.05 -0.04 1.24 0.00 0.02 0.00 0.00 176.35 177.62 3kz4 s ARG 255 N -3.47 4.45 0.20 1.70 1.70 -1.26 -4.43 118.95 117.85 3kz4 s ARG 255 Ca 0.26 2.02 -0.30 0.00 -0.47 0.00 0.00 55.73 57.23 3kz4 s ARG 255 Cb -0.04 -3.16 -0.09 0.00 -0.57 0.00 0.00 34.95 31.09 3kz4 s ARG 255 CO 0.11 -0.10 1.42 -1.25 -1.08 0.00 0.00 175.30 174.40 3kz4 s PRO 256 N -0.94 4.30 -0.11 3.89 0.04 -1.26 -4.80 135.00 136.12 3kz4 s PRO 256 Ca 0.51 2.21 -0.07 0.00 0.04 0.00 0.00 61.00 63.68 3kz4 s PRO 256 Cb -0.36 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 3kz4 s PRO 256 CO 0.43 -0.41 0.16 1.21 0.04 0.00 0.00 177.00 178.43 3kz4 s ASN 257 N 0.61 6.42 -1.35 6.66 2.47 -0.22 -4.58 114.94 124.95 3kz4 s ASN 257 Ca 0.61 0.50 -0.00 0.00 0.42 0.00 0.00 52.86 54.39 3kz4 s ASN 257 Cb -0.40 -2.08 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 3kz4 s ASN 257 CO 0.38 0.40 0.59 0.59 -3.72 0.00 0.00 177.10 175.34 3kz4 n ASN 258 N 1.94 -0.84 -4.72 -4.21 3.02 -1.26 -0.66 115.26 108.54 3kz4 n ASN 258 Ca -0.19 -0.89 -0.42 0.00 -0.03 0.00 0.00 54.58 53.05 3kz4 n ASN 258 Cb 0.55 -3.67 -0.03 0.00 -0.61 0.00 0.00 39.78 36.01 3kz4 n ASN 258 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kz4 s VAL 259 N -3.78 3.08 -0.04 2.41 1.01 -1.26 -4.42 120.40 117.39 3kz4 s VAL 259 Ca 0.01 0.79 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 3kz4 s VAL 259 Cb -0.00 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.90 3kz4 s VAL 259 CO 0.84 0.07 0.06 -1.61 0.00 0.00 0.00 175.10 174.47 3kz4 s GLU 260 N 0.88 -0.08 -0.17 2.72 2.02 -0.06 0.17 118.70 124.19 3kz4 s GLU 260 Ca 0.65 0.38 -0.04 0.00 0.02 0.00 0.00 54.97 55.98 3kz4 s GLU 260 Cb -0.39 -0.50 -0.03 0.00 0.10 0.00 0.00 34.13 33.32 3kz4 s GLU 260 CO 0.32 -0.33 -0.02 0.08 0.02 0.00 0.00 175.26 175.33 3kz4 s VAL 261 N 2.16 3.93 -0.07 2.63 1.01 -0.08 -1.27 120.40 128.71 3kz4 s VAL 261 Ca 0.05 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.74 3kz4 s VAL 261 Cb -0.12 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 3kz4 s VAL 261 CO -0.03 0.47 -0.23 -1.61 0.00 0.00 0.00 175.10 173.71 3kz4 s GLU 262 N 0.57 2.50 -0.33 2.72 2.02 0.06 -1.30 118.70 124.94 3kz4 s GLU 262 Ca -0.02 -0.82 -0.06 0.00 0.02 0.00 0.00 54.97 54.09 3kz4 s GLU 262 Cb -0.14 -2.05 0.03 0.00 0.10 0.00 0.00 34.13 32.08 3kz4 s GLU 262 CO 0.02 0.28 0.09 -0.06 0.02 0.00 0.00 175.26 175.62 3kz4 s PHE 263 N 0.06 3.23 0.18 1.61 0.40 0.02 -0.55 117.98 122.94 3kz4 s PHE 263 Ca -0.09 -1.37 0.06 0.00 -0.60 0.00 0.00 56.93 54.93 3kz4 s PHE 263 Cb -0.15 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 3kz4 s PHE 263 CO 0.05 -0.71 0.08 -0.51 0.70 0.00 0.00 175.22 174.83 3kz4 s LEU 264 N 1.41 3.60 -0.13 -0.37 1.02 -0.08 -0.74 118.68 123.40 3kz4 s LEU 264 Ca -0.01 -0.25 -0.01 0.00 0.02 0.00 0.00 54.13 53.87 3kz4 s LEU 264 Cb -0.19 -2.22 0.04 0.00 0.02 0.00 0.00 46.19 43.84 3kz4 s LEU 264 CO 0.02 0.07 -0.02 -0.22 0.02 0.00 0.00 176.35 176.23 3kz4 s LEU 265 N -3.11 1.04 -1.55 1.79 2.96 0.57 -0.58 118.68 119.80 3kz4 s LEU 265 Ca 0.30 -0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 53.66 3kz4 s LEU 265 Cb -0.09 -0.64 0.09 0.00 0.50 0.00 0.00 46.19 46.04 3kz4 s LEU 265 CO 0.22 -0.21 0.96 0.59 -1.32 0.00 0.00 176.35 176.59 3kz4 n ASN 266 N 5.03 -4.55 0.00 3.68 3.02 -1.26 -0.98 115.26 120.20 3kz4 n ASN 266 Ca -0.09 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 3kz4 n ASN 266 Cb 0.49 -3.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.89 3kz4 n ASN 266 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kz4 n GLY 267 N -1.67 2.27 3.84 7.41 0.00 -1.26 -5.02 105.19 110.77 3kz4 n GLY 267 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3kz4 n GLY 267 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kz4 s GLN 268 N -0.29 3.78 -0.14 1.61 -1.52 -0.15 -5.04 119.66 117.90 3kz4 s GLN 268 Ca 0.00 0.21 -0.29 0.00 -1.95 0.00 0.00 55.36 53.32 3kz4 s GLN 268 Cb 0.00 -3.22 -0.02 0.00 -0.22 0.00 0.00 33.01 29.54 3kz4 s GLN 268 CO 0.00 0.69 1.32 0.42 -0.25 0.00 0.00 175.29 177.47 3kz4 s ILE 269 N -0.95 4.17 -0.27 1.08 1.01 -1.26 -0.32 121.20 124.66 3kz4 s ILE 269 Ca 0.20 1.42 -0.03 0.00 0.00 0.00 0.00 60.65 62.24 3kz4 s ILE 269 Cb -0.15 -3.91 -0.15 0.00 0.01 0.00 0.00 42.46 38.25 3kz4 s ILE 269 CO 0.10 -0.12 -0.27 -0.38 0.00 0.00 0.00 174.94 174.27 3kz4 n ILE 270 N 5.35 1.50 -4.21 2.92 2.08 0.08 -4.93 119.36 122.15 3kz4 n ILE 270 Ca 0.14 -0.51 -0.16 0.00 0.56 0.00 0.00 62.75 62.77 3kz4 n ILE 270 Cb 0.45 -1.56 -0.14 0.00 -0.75 0.00 0.00 39.64 37.63 3kz4 n ILE 270 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 3kz4 s ASN 271 N -6.83 0.82 -0.01 4.38 -0.87 -0.93 -4.99 114.94 106.50 3kz4 s ASN 271 Ca -0.36 -0.19 -0.01 0.00 -1.57 0.00 0.00 52.86 50.73 3kz4 s ASN 271 Cb 0.11 -0.07 0.01 0.00 -0.02 0.00 0.00 41.25 41.28 3kz4 s ASN 271 CO 0.57 0.04 0.03 0.28 -2.57 0.00 0.00 177.10 175.45 3kz4 s THR 272 N -0.34 -0.02 -0.06 1.60 -1.32 -1.26 -0.80 115.64 113.44 3kz4 s THR 272 Ca 0.01 0.08 0.01 0.00 -1.21 0.00 0.00 61.69 60.58 3kz4 s THR 272 Cb -0.04 -0.06 0.02 0.00 -1.51 0.00 0.00 72.50 70.91 3kz4 s THR 272 CO -0.00 0.03 -0.08 -0.31 -2.21 0.00 0.00 174.62 172.05 3kz4 s TYR 273 N 0.42 1.11 -0.35 9.09 1.51 -0.42 -4.99 117.35 123.72 3kz4 s TYR 273 Ca -0.03 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.54 3kz4 s TYR 273 Cb -0.05 -0.90 0.03 0.00 -0.11 0.00 0.00 41.96 40.93 3kz4 s TYR 273 CO -0.01 -0.26 0.17 -0.65 -1.11 0.00 0.00 175.55 173.68 3kz4 s GLN 274 N 0.93 2.83 -1.35 -0.62 1.11 -1.26 -0.90 119.66 120.40 3kz4 s GLN 274 Ca -0.10 -1.06 -0.07 0.00 0.01 0.00 0.00 55.36 54.13 3kz4 s GLN 274 Cb -0.15 -3.62 0.05 0.00 -1.01 0.00 0.00 33.01 28.28 3kz4 s GLN 274 CO 0.01 -0.65 0.50 0.00 0.01 0.00 0.00 175.29 175.15 3kz4 n ALA 275 N 4.94 -1.02 -2.97 6.09 0.00 0.13 -4.93 120.51 122.74 3kz4 n ALA 275 Ca -0.12 0.14 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 3kz4 n ALA 275 Cb 0.46 -3.03 -0.10 0.00 0.00 0.00 0.00 19.45 16.78 3kz4 n ALA 275 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kz4 s ARG 276 N -5.87 2.78 0.08 0.00 3.52 -1.26 -5.03 118.95 113.18 3kz4 s ARG 276 Ca 0.35 -1.27 -0.01 0.00 -0.13 0.00 0.00 55.73 54.66 3kz4 s ARG 276 Cb -0.18 -3.85 -0.04 0.00 -1.56 0.00 0.00 34.95 29.32 3kz4 s ARG 276 CO 0.43 -0.87 0.25 -0.06 -0.81 0.00 0.00 175.30 174.24 3kz4 s PHE 277 N 1.53 3.51 0.00 5.12 0.40 -1.26 -4.84 117.98 122.44 3kz4 s PHE 277 Ca 0.03 0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.68 3kz4 s PHE 277 Cb -0.22 -1.82 0.00 0.00 0.51 0.00 0.00 43.02 41.50 3kz4 s PHE 277 CO 0.05 0.55 0.00 0.41 0.70 0.00 0.00 175.22 176.94 3kz4 n GLY 278 N 0.25 0.09 3.65 4.36 0.00 0.62 -4.96 105.19 109.20 3kz4 n GLY 278 Ca -0.04 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 3kz4 n GLY 278 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kz4 s THR 279 N 0.00 5.33 0.10 2.61 2.01 -1.26 -1.05 115.64 123.37 3kz4 s THR 279 Ca 0.00 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.31 3kz4 s THR 279 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 3kz4 s THR 279 CO 0.00 0.32 -0.14 0.27 -0.69 0.00 0.00 174.62 174.38 3kz4 s ILE 280 N 1.21 1.23 -0.16 1.82 -4.36 -0.01 -4.98 121.20 115.95 3kz4 s ILE 280 Ca 0.09 -1.57 -0.05 0.00 -0.26 0.00 0.00 60.65 58.87 3kz4 s ILE 280 Cb -0.14 -1.36 -0.03 0.00 1.25 0.00 0.00 42.46 42.18 3kz4 s ILE 280 CO 0.06 -0.36 0.01 -0.63 0.24 0.00 0.00 174.94 174.26 3kz4 s ILE 281 N -1.85 4.29 -0.27 8.37 -1.09 -1.26 -0.81 121.20 128.57 3kz4 s ILE 281 Ca 0.05 -0.22 0.03 0.00 -2.23 0.00 0.00 60.65 58.27 3kz4 s ILE 281 Cb -0.07 -2.89 0.06 0.00 -1.58 0.00 0.00 42.46 37.99 3kz4 s ILE 281 CO 0.02 0.50 -0.08 0.00 -1.23 0.00 0.00 174.94 174.16 3kz4 s ALA 282 N 0.18 2.64 -0.49 9.38 0.00 -0.65 -4.99 121.76 127.84 3kz4 s ALA 282 Ca 0.01 -1.86 0.24 0.00 0.00 0.00 0.00 51.96 50.34 3kz4 s ALA 282 Cb -0.13 -1.68 0.37 0.00 0.00 0.00 0.00 23.12 21.68 3kz4 s ALA 282 CO 0.02 -1.27 1.50 0.07 0.00 0.00 0.00 175.76 176.08 3kz4 h ARG 283 N 7.78 0.00 -0.32 0.00 0.11 -1.90 -1.67 114.38 118.38 3kz4 h ARG 283 Ca -0.18 0.00 0.24 0.00 0.10 0.00 0.00 59.98 60.15 3kz4 h ARG 283 Cb 1.04 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 31.91 3kz4 h ARG 283 CO 0.48 0.00 0.17 1.21 0.10 0.00 0.00 179.97 181.93 3kz4 s ASN 284 N -5.44 -0.41 0.05 0.08 3.04 -1.25 -1.76 114.94 109.25 3kz4 s ASN 284 Ca 0.06 0.28 -0.26 0.00 0.04 0.00 0.00 52.86 52.98 3kz4 s ASN 284 Cb 0.08 1.35 0.07 0.00 -1.54 0.00 0.00 41.25 41.21 3kz4 s ASN 284 CO 0.68 -0.08 0.61 0.72 -3.04 0.00 0.00 177.10 176.00 3kz4 s PHE 285 N 2.91 -0.56 0.00 0.43 -0.12 -0.55 -4.55 117.98 115.53 3kz4 s PHE 285 Ca -0.02 0.67 0.00 0.00 -0.05 0.00 0.00 56.93 57.53 3kz4 s PHE 285 Cb -0.10 0.45 0.00 0.00 -0.63 0.00 0.00 43.02 42.75 3kz4 s PHE 285 CO -0.11 -0.71 0.47 -0.40 -0.05 0.00 0.00 175.22 174.42 3kz4 n ASP 286 N 0.30 0.90 -3.74 1.98 5.68 0.25 -1.39 116.55 120.52 3kz4 n ASP 286 Ca -0.18 -1.13 -0.13 0.00 -0.50 0.00 0.00 54.79 52.85 3kz4 n ASP 286 Cb 0.61 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.49 3kz4 n ASP 286 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3kz4 s THR 287 N -0.13 0.02 -0.06 2.12 2.01 -0.85 -0.55 115.64 118.19 3kz4 s THR 287 Ca 0.00 -0.13 0.05 0.00 0.31 0.00 0.00 61.69 61.92 3kz4 s THR 287 Cb 0.00 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 3kz4 s THR 287 CO 0.00 -0.07 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.00 3kz4 s ILE 288 N -0.26 1.90 -0.13 1.82 1.01 -0.11 -0.90 121.20 124.53 3kz4 s ILE 288 Ca -0.04 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.64 3kz4 s ILE 288 Cb -0.03 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.84 3kz4 s ILE 288 CO 0.02 0.53 -0.11 -0.60 0.00 0.00 0.00 174.94 174.78 3kz4 s ARG 289 N 0.01 1.91 -0.23 2.79 3.52 0.29 -0.74 118.95 126.50 3kz4 s ARG 289 Ca -0.07 -0.40 -0.05 0.00 -0.13 0.00 0.00 55.73 55.07 3kz4 s ARG 289 Cb -0.14 -1.84 -0.02 0.00 -1.56 0.00 0.00 34.95 31.39 3kz4 s ARG 289 CO 0.04 -0.25 -0.00 -0.51 -0.81 0.00 0.00 175.30 173.78 3kz4 s LEU 290 N 1.59 3.09 -0.06 -0.88 1.02 0.97 -0.76 118.68 123.65 3kz4 s LEU 290 Ca 0.05 -0.32 0.05 0.00 0.02 0.00 0.00 54.13 53.93 3kz4 s LEU 290 Cb -0.13 -1.81 -0.01 0.00 0.02 0.00 0.00 46.19 44.27 3kz4 s LEU 290 CO -0.09 -0.02 -0.23 -0.44 0.02 0.00 0.00 176.35 175.59 3kz4 s SER 291 N 1.51 3.25 0.14 2.29 0.01 -0.39 0.13 113.70 120.65 3kz4 s SER 291 Ca 0.06 -0.46 -0.20 0.00 1.31 0.00 0.00 55.95 56.66 3kz4 s SER 291 Cb -0.15 -0.91 0.05 0.00 0.21 0.00 0.00 66.02 65.22 3kz4 s SER 291 CO -0.01 0.25 0.51 0.72 0.41 0.00 0.00 173.24 175.12 3kz4 s PHE 292 N -0.18 -0.39 0.16 2.43 -0.12 -0.92 -0.88 117.98 118.08 3kz4 s PHE 292 Ca -0.03 0.13 0.05 0.00 -0.05 0.00 0.00 56.93 57.04 3kz4 s PHE 292 Cb -0.14 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 3kz4 s PHE 292 CO 0.04 -0.78 -0.11 -0.65 -0.05 0.00 0.00 175.22 173.66 3kz4 s GLN 293 N -3.74 1.11 -0.21 1.99 -0.21 0.17 0.02 119.66 118.78 3kz4 s GLN 293 Ca 0.02 -1.45 -0.04 0.00 0.02 0.00 0.00 55.36 53.90 3kz4 s GLN 293 Cb 0.00 -0.76 -0.01 0.00 1.00 0.00 0.00 33.01 33.24 3kz4 s GLN 293 CO -0.12 0.11 -0.02 -1.17 -2.12 0.00 0.00 175.29 171.96 3kz4 s LEU 294 N -3.11 3.03 -0.17 2.90 2.96 -0.20 -1.06 118.68 123.02 3kz4 s LEU 294 Ca 0.17 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 3kz4 s LEU 294 Cb 0.01 -1.77 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 3kz4 s LEU 294 CO 0.02 0.01 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.62 3kz4 s MET 295 N 1.33 3.28 0.18 1.98 -2.45 -1.26 -0.70 119.30 121.66 3kz4 s MET 295 Ca 0.04 -0.70 -0.32 0.00 -1.25 0.00 0.00 55.69 53.46 3kz4 s MET 295 Cb -0.14 -2.73 -0.12 0.00 1.25 0.00 0.00 34.83 33.08 3kz4 s MET 295 CO -0.01 -0.02 1.75 -2.13 1.05 0.00 0.00 175.02 175.66 3kz4 n ARG 296 N 4.20 2.72 -1.68 4.11 0.63 0.64 -4.87 116.66 122.41 3kz4 n ARG 296 Ca -0.19 0.98 -0.45 0.00 -0.92 0.00 0.00 57.85 57.28 3kz4 n ARG 296 Cb 0.51 -2.84 -0.04 0.00 0.45 0.00 0.00 32.46 30.55 3kz4 n ARG 296 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3kz4 n PRO 297 N 4.44 2.54 0.22 -0.14 -0.02 -1.26 -4.86 135.00 135.92 3kz4 n PRO 297 Ca 0.17 0.93 0.08 0.00 -2.02 0.00 0.00 63.50 62.65 3kz4 n PRO 297 Cb 0.35 -2.81 0.50 0.00 -0.02 0.00 0.00 33.50 31.52 3kz4 n PRO 297 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3kz4 h PRO 298 N 9.17 0.00 -4.60 0.52 0.13 -1.98 -3.41 132.00 131.83 3kz4 h PRO 298 Ca -0.48 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.10 3kz4 h PRO 298 Cb 1.25 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.04 3kz4 h PRO 298 CO 0.94 0.26 -0.82 -0.80 -0.23 0.00 0.00 178.00 177.34 3kz4 s ASN 299 N -6.45 2.10 -0.04 1.44 0.01 -1.26 -5.13 114.94 105.60 3kz4 s ASN 299 Ca -0.02 -0.35 0.02 0.00 -0.71 0.00 0.00 52.86 51.80 3kz4 s ASN 299 Cb 0.13 -0.94 0.01 0.00 0.41 0.00 0.00 41.25 40.86 3kz4 s ASN 299 CO 0.65 0.01 -0.08 -0.04 -1.51 0.00 0.00 177.10 176.14 3kz4 s MET 300 N 0.89 1.08 0.85 -0.60 -1.94 -1.26 -5.07 119.30 113.25 3kz4 s MET 300 Ca -0.10 -0.26 -0.11 0.00 -1.71 0.00 0.00 55.69 53.51 3kz4 s MET 300 Cb -0.15 -0.99 0.10 0.00 2.01 0.00 0.00 34.83 35.80 3kz4 s MET 300 CO 0.01 0.03 1.09 0.95 -0.01 0.00 0.00 175.02 177.09 3kz4 s THR 301 N 0.54 2.93 0.23 2.05 -4.23 -1.26 -4.62 115.64 111.27 3kz4 s THR 301 Ca -0.09 0.30 -0.09 0.00 -1.18 0.00 0.00 61.69 60.63 3kz4 s THR 301 Cb -0.12 -2.83 0.22 0.00 1.34 0.00 0.00 72.50 71.11 3kz4 s THR 301 CO 0.01 -0.39 1.66 -0.65 -0.54 0.00 0.00 174.62 174.71 3kz4 h PRO 302 N -1.36 0.14 -0.85 3.99 0.11 -2.00 0.12 132.00 132.14 3kz4 h PRO 302 Ca -0.47 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.70 3kz4 h PRO 302 Cb 1.27 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 3kz4 h PRO 302 CO 0.54 0.09 0.55 0.00 -0.21 0.00 0.00 178.00 178.98 3kz4 h ALA 303 N 1.60 1.60 0.00 -0.75 0.00 -2.00 -0.50 119.26 119.21 3kz4 h ALA 303 Ca 0.36 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3kz4 h ALA 303 Cb 0.60 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3kz4 h ALA 303 CO -0.56 0.26 -0.25 0.28 0.00 0.00 0.00 179.25 178.99 3kz4 h VAL 304 N 0.91 1.55 -0.94 0.00 2.07 -1.53 -3.27 116.25 115.05 3kz4 h VAL 304 Ca 0.37 -1.97 0.18 0.00 0.82 0.00 0.00 66.70 66.11 3kz4 h VAL 304 Cb 0.27 2.80 -0.08 0.00 -1.52 0.00 0.00 31.29 32.76 3kz4 h VAL 304 CO -0.14 0.54 0.60 0.00 0.02 0.00 0.00 177.57 178.59 3kz4 h ALA 305 N 0.25 1.91 0.00 1.67 0.00 -0.38 -0.05 119.26 122.66 3kz4 h ALA 305 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kz4 h ALA 305 Cb 1.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3kz4 h ALA 305 CO 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 179.25 179.04 3kz4 h ALA 306 N 1.61 1.18 0.00 0.00 0.00 -1.15 -2.32 119.26 118.58 3kz4 h ALA 306 Ca 0.50 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.23 3kz4 h ALA 306 Cb 0.95 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3kz4 h ALA 306 CO -0.25 0.06 -0.82 -0.07 0.00 0.00 0.00 179.25 178.17 3kz4 h LEU 307 N 0.00 0.00 -6.98 0.00 3.38 -1.09 -3.41 115.31 107.20 3kz4 h LEU 307 Ca -0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 3kz4 h LEU 307 Cb 0.22 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.55 3kz4 h LEU 307 CO 0.01 0.64 -0.56 0.49 0.09 0.00 0.00 178.44 179.10 3kz4 n PHE 308 N -3.18 3.34 -1.33 1.13 0.99 -0.87 -4.26 117.46 113.28 3kz4 n PHE 308 Ca -0.01 -4.30 -0.30 0.00 -0.00 0.00 0.00 57.45 52.85 3kz4 n PHE 308 Cb 0.81 -0.63 0.13 0.00 -1.00 0.00 0.00 39.48 38.78 3kz4 n PHE 308 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3kz4 s PRO 309 N -1.60 1.42 0.43 -1.08 0.04 -1.26 -4.95 135.00 128.00 3kz4 s PRO 309 Ca 0.27 0.70 0.25 0.00 0.04 0.00 0.00 61.00 62.26 3kz4 s PRO 309 Cb -0.02 -1.84 0.53 0.00 0.04 0.00 0.00 34.50 33.22 3kz4 s PRO 309 CO -0.15 -2.10 1.68 -0.91 0.04 0.00 0.00 177.00 175.56 3kz4 h ASN 310 N -1.44 0.00 -4.40 6.66 4.21 -1.98 -3.46 115.58 115.18 3kz4 h ASN 310 Ca -0.49 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 56.70 3kz4 h ASN 310 Cb 1.29 0.00 -0.18 0.00 -1.12 0.00 0.00 38.32 38.31 3kz4 h ASN 310 CO 0.57 0.00 -0.73 0.00 -1.29 0.00 0.00 177.43 175.97 3kz4 s ALA 311 N -3.26 1.10 0.95 -0.83 0.00 -1.26 -5.07 121.76 113.38 3kz4 s ALA 311 Ca 0.06 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.74 3kz4 s ALA 311 Cb 0.06 0.03 0.16 0.00 0.00 0.00 0.00 23.12 23.37 3kz4 s ALA 311 CO 0.64 -0.03 1.10 -0.65 0.00 0.00 0.00 175.76 176.82 3kz4 s GLN 312 N -2.73 0.75 0.31 0.00 -0.21 -1.26 -4.64 119.66 111.88 3kz4 s GLN 312 Ca 0.05 1.20 -0.29 0.00 0.02 0.00 0.00 55.36 56.34 3kz4 s GLN 312 Cb -0.03 -1.72 -0.10 0.00 1.00 0.00 0.00 33.01 32.16 3kz4 s GLN 312 CO 0.00 -2.70 1.24 -1.25 -2.12 0.00 0.00 175.29 170.46 3kz4 s PRO 313 N -4.69 4.45 -0.47 2.91 0.04 -1.26 -5.13 135.00 130.84 3kz4 s PRO 313 Ca 0.66 2.09 -0.18 0.00 0.04 0.00 0.00 61.00 63.60 3kz4 s PRO 313 Cb -0.22 -3.11 0.05 0.00 0.04 0.00 0.00 34.50 31.26 3kz4 s PRO 313 CO 0.59 -0.06 0.52 -0.06 0.04 0.00 0.00 177.00 178.03 3kz4 s PHE 314 N -1.14 3.13 -0.30 0.56 2.99 -1.26 -4.90 117.98 117.06 3kz4 s PHE 314 Ca 0.48 -0.53 0.22 0.00 0.00 0.00 0.00 56.93 57.09 3kz4 s PHE 314 Cb -0.37 -3.24 -0.31 0.00 0.00 0.00 0.00 43.02 39.10 3kz4 s PHE 314 CO 0.49 -0.87 0.60 0.39 -0.00 0.00 0.00 175.22 175.83 3kz4 n GLU 315 N 5.80 0.48 -4.29 0.44 1.02 -1.26 -4.84 120.64 117.99 3kz4 n GLU 315 Ca -0.08 -0.14 -0.32 0.00 -0.02 0.00 0.00 57.16 56.60 3kz4 n GLU 315 Cb 0.46 -1.52 -0.16 0.00 -0.02 0.00 0.00 31.44 30.20 3kz4 n GLU 315 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3kz4 s HIS 316 N -3.38 2.66 -0.46 -0.32 3.76 -1.26 -4.83 115.29 111.46 3kz4 s HIS 316 Ca -0.04 -1.50 -0.15 0.00 -0.15 0.00 0.00 55.06 53.23 3kz4 s HIS 316 Cb 0.15 -1.84 0.07 0.00 1.11 0.00 0.00 32.58 32.06 3kz4 s HIS 316 CO 0.90 -0.73 0.38 -1.01 -0.85 0.00 0.00 174.74 173.43 3kz4 s HIS 317 N 1.16 3.25 0.05 1.40 3.76 -0.30 -4.90 115.29 119.71 3kz4 s HIS 317 Ca 0.01 -0.88 -0.34 0.00 -0.15 0.00 0.00 55.06 53.69 3kz4 s HIS 317 Cb -0.14 -3.08 -0.13 0.00 1.11 0.00 0.00 32.58 30.34 3kz4 s HIS 317 CO -0.09 -0.77 1.69 0.00 -0.85 0.00 0.00 174.74 174.72 3kz4 n ALA 318 N 5.19 1.04 -3.09 -1.40 0.00 -1.23 -1.78 120.51 119.24 3kz4 n ALA 318 Ca -0.12 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.55 3kz4 n ALA 318 Cb 0.44 -2.39 -0.15 0.00 0.00 0.00 0.00 19.45 17.35 3kz4 n ALA 318 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kz4 s THR 319 N 2.14 0.26 0.07 0.00 2.01 -0.24 -1.36 115.64 118.51 3kz4 s THR 319 Ca 0.85 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.83 3kz4 s THR 319 Cb -0.70 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 3kz4 s THR 319 CO 0.44 0.10 -0.18 0.68 -0.69 0.00 0.00 174.62 174.97 3kz4 s VAL 320 N 0.27 1.43 0.33 3.82 -7.23 -0.25 -1.22 120.40 117.55 3kz4 s VAL 320 Ca -0.03 -1.28 -0.10 0.00 -1.81 0.00 0.00 61.98 58.76 3kz4 s VAL 320 Cb -0.05 -1.30 0.02 0.00 0.56 0.00 0.00 36.38 35.61 3kz4 s VAL 320 CO -0.01 -0.02 0.59 -0.83 -0.31 0.00 0.00 175.10 174.53 3kz4 s GLY 321 N -1.51 0.79 0.02 2.32 0.00 -1.26 -0.23 107.32 107.45 3kz4 s GLY 321 Ca 0.04 -1.03 -0.06 0.00 0.00 0.00 0.00 44.72 43.66 3kz4 s GLY 321 CO 0.03 -0.63 0.11 1.08 0.00 0.00 0.00 173.10 173.69 3kz4 s LEU 322 N -3.11 1.70 -0.06 0.66 1.43 -0.46 0.30 118.68 119.14 3kz4 s LEU 322 Ca 0.22 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3kz4 s LEU 322 Cb -0.02 0.62 0.02 0.00 0.03 0.00 0.00 46.19 46.83 3kz4 s LEU 322 CO 0.14 -0.43 -0.08 -0.89 0.23 0.00 0.00 176.35 175.31 3kz4 s THR 323 N -1.96 0.85 -0.07 5.49 2.01 -0.06 -1.92 115.64 119.99 3kz4 s THR 323 Ca -0.10 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.61 3kz4 s THR 323 Cb -0.05 -0.82 0.02 0.00 0.01 0.00 0.00 72.50 71.66 3kz4 s THR 323 CO -0.01 0.30 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.90 3kz4 s LEU 324 N 0.85 1.48 -0.08 4.42 0.20 -0.14 -0.61 118.68 124.81 3kz4 s LEU 324 Ca -0.12 -0.26 0.02 0.00 0.69 0.00 0.00 54.13 54.46 3kz4 s LEU 324 Cb -0.15 -0.75 0.02 0.00 -0.43 0.00 0.00 46.19 44.88 3kz4 s LEU 324 CO 0.01 -0.02 -0.11 -0.13 -0.29 0.00 0.00 176.35 175.82 3kz4 s ARG 325 N 0.93 1.63 -0.57 1.98 0.52 0.33 -1.12 118.95 122.65 3kz4 s ARG 325 Ca -0.10 -0.37 -0.22 0.00 -0.52 0.00 0.00 55.73 54.52 3kz4 s ARG 325 Cb -0.15 -1.43 0.05 0.00 0.52 0.00 0.00 34.95 33.95 3kz4 s ARG 325 CO 0.01 -0.04 0.87 0.42 0.02 0.00 0.00 175.30 176.58 3kz4 s ILE 326 N 0.91 4.49 0.05 1.52 1.01 -0.23 -0.74 121.20 128.20 3kz4 s ILE 326 Ca -0.10 -0.10 -0.20 0.00 0.00 0.00 0.00 60.65 60.26 3kz4 s ILE 326 Cb -0.15 -4.53 -0.13 0.00 0.01 0.00 0.00 42.46 37.66 3kz4 s ILE 326 CO 0.01 -1.14 1.37 -0.33 0.00 0.00 0.00 174.94 174.85 3kz4 h GLU 327 N 9.31 0.38 -3.39 2.79 4.39 -1.28 -3.34 114.58 123.44 3kz4 h GLU 327 Ca -0.27 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.16 3kz4 h GLU 327 Cb 1.08 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.58 3kz4 h GLU 327 CO 1.09 0.73 -0.21 -1.54 -1.16 0.00 0.00 179.01 177.92 3kz4 s SER 328 N -6.11 -0.12 0.07 1.42 1.04 -1.19 0.14 113.70 108.95 3kz4 s SER 328 Ca -0.14 -0.29 -0.27 0.00 0.48 0.00 0.00 55.95 55.73 3kz4 s SER 328 Cb 0.06 0.39 0.09 0.00 0.10 0.00 0.00 66.02 66.66 3kz4 s SER 328 CO 0.75 -0.71 1.05 0.00 0.98 0.00 0.00 173.24 175.32 3kz4 s ALA 329 N -3.13 -1.85 -0.02 5.32 0.00 -1.13 -1.04 121.76 119.91 3kz4 s ALA 329 Ca -0.01 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.47 3kz4 s ALA 329 Cb 0.01 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 3kz4 s ALA 329 CO -0.07 -0.98 -0.17 0.08 0.00 0.00 0.00 175.76 174.62 3kz4 s VAL 330 N -2.99 2.86 0.01 0.00 1.01 0.04 -2.76 120.40 118.58 3kz4 s VAL 330 Ca 0.12 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3kz4 s VAL 330 Cb 0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3kz4 s VAL 330 CO -0.01 0.51 -0.08 0.00 0.00 0.00 0.00 175.10 175.52 3kz4 h GLU 332 N 5.42 0.00 -6.35 0.00 4.81 -1.93 -2.43 114.58 114.11 3kz4 h GLU 332 Ca -0.32 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.25 3kz4 h GLU 332 Cb 1.19 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.43 3kz4 h GLU 332 CO 0.46 0.00 -0.69 -1.12 -0.73 0.00 0.00 179.01 176.94 3kz4 s SER 333 N -4.91 4.81 0.51 1.04 0.01 -1.26 -4.34 113.70 109.56 3kz4 s SER 333 Ca 0.07 -0.19 -0.22 0.00 1.31 0.00 0.00 55.95 56.92 3kz4 s SER 333 Cb 0.10 -1.11 -0.06 0.00 0.21 0.00 0.00 66.02 65.16 3kz4 s SER 333 CO 0.55 0.22 1.24 0.68 0.41 0.00 0.00 173.24 176.33 3kz4 s VAL 334 N -1.18 2.67 0.13 3.43 -7.23 -1.26 -4.90 120.40 112.06 3kz4 s VAL 334 Ca 0.22 0.49 -0.09 0.00 -1.81 0.00 0.00 61.98 60.79 3kz4 s VAL 334 Cb -0.11 -3.24 -0.01 0.00 0.56 0.00 0.00 36.38 33.58 3kz4 s VAL 334 CO 0.14 -0.02 0.24 -0.76 -0.31 0.00 0.00 175.10 174.39 3kz4 s LEU 335 N -3.36 1.17 0.43 1.32 1.43 -1.26 -5.03 118.68 113.38 3kz4 s LEU 335 Ca 0.68 -0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 3kz4 s LEU 335 Cb -0.33 1.12 -0.08 0.00 0.03 0.00 0.00 46.19 46.93 3kz4 s LEU 335 CO 0.39 -0.82 0.86 0.00 0.23 0.00 0.00 176.35 177.01 3kz4 s ALA 336 N -3.92 3.22 0.02 4.21 0.00 -1.26 -4.93 121.76 119.10 3kz4 s ALA 336 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.10 3kz4 s ALA 336 Cb 0.04 -2.90 -0.00 0.00 0.00 0.00 0.00 23.12 20.26 3kz4 s ALA 336 CO -0.05 -0.02 0.03 -0.40 0.00 0.00 0.00 175.76 175.31 3kz4 n ASP 337 N -1.20 -0.07 -0.39 0.00 5.75 -1.26 0.10 116.55 119.48 3kz4 n ASP 337 Ca 0.04 -1.12 0.14 0.00 -0.01 0.00 0.00 54.79 53.84 3kz4 n ASP 337 Cb 0.54 0.14 0.58 0.00 -1.03 0.00 0.00 41.12 41.35 3kz4 n ASP 337 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kz4 n ALA 338 N -2.86 2.59 0.00 2.12 0.00 -0.30 -4.40 120.51 117.66 3kz4 n ALA 338 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3kz4 n ALA 338 Cb 0.04 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3kz4 n ALA 338 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kz4 n SER 339 N -0.05 3.86 -4.77 0.00 7.64 -1.26 -5.04 113.62 113.99 3kz4 n SER 339 Ca 0.19 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.69 3kz4 n SER 339 Cb 0.29 0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.52 3kz4 n SER 339 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3kz4 s GLU 340 N -1.93 4.38 0.00 1.43 2.02 -1.26 -4.97 118.70 118.37 3kz4 s GLU 340 Ca 0.00 1.58 0.23 0.00 0.02 0.00 0.00 54.97 56.80 3kz4 s GLU 340 Cb 0.00 -2.80 0.46 0.00 0.10 0.00 0.00 34.13 31.89 3kz4 s GLU 340 CO 0.00 0.04 1.41 0.25 0.02 0.00 0.00 175.26 176.98 3kz4 n THR 341 N 0.44 0.36 0.05 3.63 -2.24 -1.26 -4.65 114.28 110.62 3kz4 n THR 341 Ca 0.03 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 61.04 3kz4 n THR 341 Cb 0.48 0.96 -0.07 0.00 -2.10 0.00 0.00 70.33 69.60 3kz4 n THR 341 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3kz4 h MET 342 N 4.11 -0.54 -0.40 -0.78 2.86 -1.93 0.30 114.93 118.55 3kz4 h MET 342 Ca 0.00 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 3kz4 h MET 342 Cb 0.90 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.64 3kz4 h MET 342 CO 0.00 -0.36 0.12 1.25 1.06 0.00 0.00 176.91 178.98 3kz4 h LEU 343 N -0.56 0.11 -1.21 1.22 5.85 -1.94 -1.34 115.31 117.44 3kz4 h LEU 343 Ca 0.05 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3kz4 h LEU 343 Cb 0.65 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3kz4 h LEU 343 CO -0.32 0.10 0.33 0.00 -0.34 0.00 0.00 178.44 178.21 3kz4 h ALA 344 N 1.27 1.39 0.00 1.25 0.00 -1.75 0.00 119.26 121.43 3kz4 h ALA 344 Ca 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kz4 h ALA 344 Cb 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kz4 h ALA 344 CO -0.21 0.49 -0.00 -0.91 0.00 0.00 0.00 179.25 178.63 3kz4 h ASN 345 N 0.89 -0.00 -0.13 0.00 2.35 0.28 0.16 115.58 119.12 3kz4 h ASN 345 Ca 0.22 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3kz4 h ASN 345 Cb 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3kz4 h ASN 345 CO -0.03 0.26 0.07 0.58 -1.65 0.00 0.00 177.43 176.66 3kz4 h VAL 346 N -0.27 1.09 -0.76 2.81 2.07 -1.10 -0.64 116.25 119.45 3kz4 h VAL 346 Ca -0.00 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3kz4 h VAL 346 Cb 0.27 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3kz4 h VAL 346 CO 0.00 0.08 0.37 0.74 0.02 0.00 0.00 177.57 178.78 3kz4 h THR 347 N 0.12 1.24 -0.43 2.57 2.02 -0.99 -2.33 112.91 115.11 3kz4 h THR 347 Ca 0.05 -0.67 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 3kz4 h THR 347 Cb 0.07 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3kz4 h THR 347 CO -0.01 0.28 -0.07 0.28 0.37 0.00 0.00 175.52 176.38 3kz4 h SER 348 N 1.06 0.81 -0.47 4.18 0.02 -0.46 -1.32 113.55 117.38 3kz4 h SER 348 Ca 0.26 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 3kz4 h SER 348 Cb 0.11 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3kz4 h SER 348 CO -0.03 0.97 0.11 0.58 -1.14 0.00 0.00 176.83 177.31 3kz4 h VAL 349 N 0.64 1.24 -0.75 2.27 2.07 -0.99 -0.49 116.25 120.24 3kz4 h VAL 349 Ca 0.11 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3kz4 h VAL 349 Cb 0.59 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3kz4 h VAL 349 CO 0.04 0.30 0.44 0.03 0.02 0.00 0.00 177.57 178.39 3kz4 h ARG 350 N 0.63 1.03 -0.19 1.57 3.08 -1.29 -2.23 114.38 116.97 3kz4 h ARG 350 Ca 0.15 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3kz4 h ARG 350 Cb 0.33 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3kz4 h ARG 350 CO 0.00 0.74 -0.03 1.96 -1.07 0.00 0.00 179.97 181.58 3kz4 h GLN 351 N 1.03 0.35 -0.92 0.04 4.20 -1.02 -0.83 115.11 117.95 3kz4 h GLN 351 Ca 0.27 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.88 3kz4 h GLN 351 Cb -0.01 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 3kz4 h GLN 351 CO -0.05 0.59 0.60 1.49 -0.67 0.00 0.00 178.83 180.79 3kz4 h GLU 352 N 0.08 1.16 -0.66 1.46 4.81 -0.92 -2.56 114.58 117.95 3kz4 h GLU 352 Ca 0.05 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kz4 h GLU 352 Cb 0.45 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3kz4 h GLU 352 CO 0.01 0.76 0.00 0.66 -0.73 0.00 0.00 179.01 179.72 3kz4 n TYR 353 N -4.48 1.31 -4.09 0.92 4.02 -0.85 -4.94 117.16 109.04 3kz4 n TYR 353 Ca 0.11 -0.48 -0.31 0.00 -0.01 0.00 0.00 57.90 57.21 3kz4 n TYR 353 Cb 0.06 -0.30 -0.02 0.00 -0.02 0.00 0.00 39.34 39.06 3kz4 n TYR 353 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kz4 n ALA 354 N 0.60 -1.62 -2.12 -0.72 0.00 -0.97 -2.27 120.51 113.41 3kz4 n ALA 354 Ca 0.19 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 3kz4 n ALA 354 Cb 0.81 -2.55 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 3kz4 n ALA 354 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kz4 s ILE 355 N -3.63 3.38 0.66 0.00 -1.09 -0.35 -4.44 121.20 115.72 3kz4 s ILE 355 Ca 0.38 0.86 -0.17 0.00 -2.23 0.00 0.00 60.65 59.49 3kz4 s ILE 355 Cb -0.21 -3.55 -0.00 0.00 -1.58 0.00 0.00 42.46 37.12 3kz4 s ILE 355 CO 0.91 0.02 1.24 -2.84 -1.23 0.00 0.00 174.94 173.03 3kz4 s PRO 356 N 2.09 2.54 0.35 2.79 0.02 -1.26 -4.91 135.00 136.62 3kz4 s PRO 356 Ca 0.67 1.88 -0.29 0.00 0.02 0.00 0.00 61.00 63.29 3kz4 s PRO 356 Cb -0.36 -1.87 -0.11 0.00 0.02 0.00 0.00 34.50 32.19 3kz4 s PRO 356 CO 0.29 -1.56 1.54 0.28 -0.33 0.00 0.00 177.00 177.22 3kz4 n VAL 357 N -2.09 1.66 -3.18 3.83 0.31 -1.26 -5.00 118.33 112.61 3kz4 n VAL 357 Ca 0.14 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3kz4 n VAL 357 Cb 0.49 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 3kz4 n VAL 357 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kz4 n GLY 358 N 1.04 2.77 0.07 2.92 0.00 -1.26 -5.04 105.19 105.69 3kz4 n GLY 358 Ca 0.04 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 44.04 3kz4 n GLY 358 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kz4 n PRO 359 N -0.60 0.23 -0.09 1.61 -0.04 -1.26 -4.53 135.00 130.31 3kz4 n PRO 359 Ca 0.00 0.14 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 3kz4 n PRO 359 Cb 0.00 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 31.71 3kz4 n PRO 359 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kz4 n VAL 360 N -2.08 1.50 -2.91 0.52 0.31 -1.26 -5.03 118.33 109.38 3kz4 n VAL 360 Ca 0.05 0.09 -0.36 0.00 -0.01 0.00 0.00 64.34 64.11 3kz4 n VAL 360 Cb 0.42 -2.30 -0.06 0.00 -0.91 0.00 0.00 33.84 30.98 3kz4 n VAL 360 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3kz4 s PHE 361 N -2.87 3.63 0.76 3.52 2.99 -1.26 -4.87 117.98 119.88 3kz4 s PHE 361 Ca -0.30 1.61 -0.13 0.00 0.00 0.00 0.00 56.93 58.11 3kz4 s PHE 361 Cb 0.05 -2.79 0.05 0.00 0.00 0.00 0.00 43.02 40.33 3kz4 s PHE 361 CO 0.43 0.23 1.13 -1.25 -0.00 0.00 0.00 175.22 175.76 3kz4 s PRO 362 N -2.15 2.16 0.20 0.24 0.04 -1.26 -4.54 135.00 129.68 3kz4 s PRO 362 Ca 0.49 1.44 -0.32 0.00 0.04 0.00 0.00 61.00 62.64 3kz4 s PRO 362 Cb -0.17 -1.87 -0.15 0.00 0.04 0.00 0.00 34.50 32.36 3kz4 s PRO 362 CO 0.22 -1.76 1.31 -2.30 0.04 0.00 0.00 177.00 174.51 3kz4 n PRO 363 N -3.15 1.63 -1.14 0.56 -0.02 -1.26 -1.31 135.00 130.31 3kz4 n PRO 363 Ca 0.11 0.58 -0.05 0.00 -2.02 0.00 0.00 63.50 62.12 3kz4 n PRO 363 Cb 0.52 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 3kz4 n PRO 363 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kz4 n GLY 364 N 2.20 0.66 2.79 -1.23 0.00 -1.26 -2.48 105.19 105.87 3kz4 n GLY 364 Ca 0.14 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 3kz4 n GLY 364 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kz4 n MET 365 N -1.70 -3.18 -1.65 1.61 2.81 -0.43 -4.83 117.12 109.76 3kz4 n MET 365 Ca -0.05 0.78 -0.53 0.00 -1.81 0.00 0.00 57.70 56.09 3kz4 n MET 365 Cb 0.30 -5.51 -0.06 0.00 -0.71 0.00 0.00 33.22 27.24 3kz4 n MET 365 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3kz4 n ASN 366 N -2.18 2.69 0.02 7.83 2.85 -1.04 -4.88 115.26 120.56 3kz4 n ASN 366 Ca -0.14 0.91 -0.12 0.00 -0.11 0.00 0.00 54.58 55.12 3kz4 n ASN 366 Cb 0.62 -1.24 -0.07 0.00 1.24 0.00 0.00 39.78 40.34 3kz4 n ASN 366 CO 0.00 0.00 0.00 -0.25 -2.11 0.00 0.00 177.26 174.90 3kz4 h TRP 367 N 8.95 0.05 -0.43 1.20 2.91 -1.93 -0.17 115.95 126.53 3kz4 h TRP 367 Ca -0.43 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 59.66 3kz4 h TRP 367 Cb 1.30 -0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 29.87 3kz4 h TRP 367 CO 0.85 0.08 0.05 1.15 -1.03 0.00 0.00 178.44 179.53 3kz4 h THR 368 N 0.01 0.73 -0.76 2.65 2.02 -1.95 -0.12 112.91 115.49 3kz4 h THR 368 Ca 0.01 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 3kz4 h THR 368 Cb 0.04 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3kz4 h THR 368 CO -0.00 0.03 0.36 0.44 0.37 0.00 0.00 175.52 176.71 3kz4 h ASP 369 N 0.17 1.01 0.28 4.18 3.32 -1.87 -0.64 116.42 122.86 3kz4 h ASP 369 Ca 0.21 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3kz4 h ASP 369 Cb 0.29 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3kz4 h ASP 369 CO -0.31 0.87 -0.13 0.25 -1.72 0.00 0.00 179.24 178.19 3kz4 h LEU 370 N 1.08 -0.32 -1.25 1.55 6.46 -0.27 -2.71 115.31 119.84 3kz4 h LEU 370 Ca 0.26 -0.07 -0.07 0.00 -0.12 0.00 0.00 57.88 57.88 3kz4 h LEU 370 Cb 0.13 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3kz4 h LEU 370 CO -0.03 -0.13 -0.34 -0.29 -0.62 0.00 0.00 178.44 177.03 3kz4 h ILE 371 N -0.49 1.01 -0.62 4.05 6.09 -0.94 -2.27 117.51 124.33 3kz4 h ILE 371 Ca -0.04 -1.26 -0.09 0.00 -1.37 0.00 0.00 64.86 62.10 3kz4 h ILE 371 Cb 0.37 1.73 -0.02 0.00 0.47 0.00 0.00 36.82 39.36 3kz4 h ILE 371 CO 0.06 0.33 0.03 0.74 -3.07 0.00 0.00 178.15 176.24 3kz4 h THR 372 N 0.00 1.27 -2.16 2.19 2.02 -0.97 -3.27 112.91 111.99 3kz4 h THR 372 Ca -0.00 -1.13 -0.58 0.00 0.77 0.00 0.00 66.41 65.46 3kz4 h THR 372 Cb 0.70 0.76 -0.41 0.00 -1.74 0.00 0.00 68.15 67.46 3kz4 h THR 372 CO 0.04 0.41 -0.73 0.59 0.37 0.00 0.00 175.52 176.21 3kz4 n ASN 373 N -4.20 3.06 -3.99 4.18 3.02 -1.04 -4.99 115.26 111.30 3kz4 n ASN 373 Ca 0.03 -3.32 -0.42 0.00 -0.03 0.00 0.00 54.58 50.83 3kz4 n ASN 373 Cb 0.34 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 3kz4 n ASN 373 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kz4 n TYR 374 N 0.73 3.80 -1.16 3.10 -0.00 -0.87 -4.86 117.16 117.89 3kz4 n TYR 374 Ca 0.28 -2.94 -0.30 0.00 -0.00 0.00 0.00 57.90 54.94 3kz4 n TYR 374 Cb 0.44 -2.47 0.14 0.00 -0.00 0.00 0.00 39.34 37.45 3kz4 n TYR 374 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 3kz4 s SER 375 N 3.08 3.46 0.24 2.98 1.04 -1.26 -4.79 113.70 118.44 3kz4 s SER 375 Ca 0.47 1.55 -0.06 0.00 0.48 0.00 0.00 55.95 58.39 3kz4 s SER 375 Cb 0.10 -2.22 0.29 0.00 0.10 0.00 0.00 66.02 64.29 3kz4 s SER 375 CO -0.03 -2.66 1.88 -0.65 0.98 0.00 0.00 173.24 172.76 3kz4 h PRO 376 N -1.56 1.05 -0.41 4.02 0.11 -1.99 -1.02 132.00 132.20 3kz4 h PRO 376 Ca -0.49 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 3kz4 h PRO 376 Cb 1.28 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3kz4 h PRO 376 CO 0.54 0.70 0.23 1.03 -0.21 0.00 0.00 178.00 180.28 3kz4 h SER 377 N 1.08 0.52 -0.88 -2.05 0.87 -1.93 0.45 113.55 111.61 3kz4 h SER 377 Ca 0.36 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 3kz4 h SER 377 Cb 0.04 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 3kz4 h SER 377 CO -0.13 0.46 0.46 0.03 -0.53 0.00 0.00 176.83 177.12 3kz4 h ARG 378 N 0.54 1.24 -0.44 2.24 3.08 -1.77 -1.44 114.38 117.84 3kz4 h ARG 378 Ca 0.15 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3kz4 h ARG 378 Cb 0.05 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3kz4 h ARG 378 CO -0.02 0.92 -0.06 1.49 -1.07 0.00 0.00 179.97 181.23 3kz4 h GLU 379 N 1.24 0.82 -0.43 0.04 4.81 -0.54 0.34 114.58 120.85 3kz4 h GLU 379 Ca 0.31 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3kz4 h GLU 379 Cb 0.06 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3kz4 h GLU 379 CO -0.05 0.91 0.08 -0.44 -0.73 0.00 0.00 179.01 178.79 3kz4 h ASP 380 N 0.65 0.68 -0.50 1.04 3.32 -0.78 0.10 116.42 120.93 3kz4 h ASP 380 Ca 0.12 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 3kz4 h ASP 380 Cb 0.58 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3kz4 h ASP 380 CO 0.03 0.75 0.12 0.78 -1.72 0.00 0.00 179.24 179.21 3kz4 h ASN 381 N 0.57 0.75 -0.60 6.45 2.35 -1.16 -1.46 115.58 122.49 3kz4 h ASN 381 Ca 0.13 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3kz4 h ASN 381 Cb 0.36 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 3kz4 h ASN 381 CO 0.01 0.79 0.35 0.25 -1.65 0.00 0.00 177.43 177.17 3kz4 h LEU 382 N 0.68 0.73 -0.59 1.61 6.46 -0.09 -0.14 115.31 123.97 3kz4 h LEU 382 Ca 0.16 -0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.76 3kz4 h LEU 382 Cb 0.33 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 3kz4 h LEU 382 CO 0.00 0.59 0.03 -0.61 -0.62 0.00 0.00 178.44 177.84 3kz4 h GLN 383 N 0.81 1.02 -0.28 1.25 4.15 -0.62 0.40 115.11 121.85 3kz4 h GLN 383 Ca 0.21 -0.31 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 3kz4 h GLN 383 Cb 0.01 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3kz4 h GLN 383 CO -0.04 1.00 0.14 -0.09 -1.93 0.00 0.00 178.83 177.91 3kz4 h ARG 384 N 0.92 0.39 -0.34 1.69 2.43 -0.88 -0.17 114.38 118.42 3kz4 h ARG 384 Ca 0.17 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 3kz4 h ARG 384 Cb 0.51 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3kz4 h ARG 384 CO 0.02 0.36 -0.30 0.28 -1.51 0.00 0.00 179.97 178.82 3kz4 h VAL 385 N 0.32 1.28 -0.26 0.20 2.07 -0.82 -1.80 116.25 117.23 3kz4 h VAL 385 Ca 0.10 -1.44 -0.17 0.00 0.82 0.00 0.00 66.70 66.02 3kz4 h VAL 385 Cb 0.09 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3kz4 h VAL 385 CO -0.01 0.47 -0.48 -0.26 0.02 0.00 0.00 177.57 177.30 3kz4 h PHE 386 N 0.62 0.99 -0.82 1.57 0.05 -0.01 -1.81 116.94 117.53 3kz4 h PHE 386 Ca 0.07 -0.35 -0.02 0.00 3.82 0.00 0.00 57.97 61.49 3kz4 h PHE 386 Cb 0.82 -0.19 -0.04 0.00 2.00 0.00 0.00 35.95 38.54 3kz4 h PHE 386 CO 0.04 1.16 0.43 1.15 -0.18 0.00 0.00 178.31 180.91 3kz4 h THR 387 N 0.54 1.25 -0.60 -1.55 2.02 -0.91 -0.61 112.91 113.06 3kz4 h THR 387 Ca 0.01 -0.65 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 3kz4 h THR 387 Cb 1.09 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3kz4 h THR 387 CO 0.11 0.29 0.04 0.58 0.37 0.00 0.00 175.52 176.90 3kz4 h VAL 388 N 1.16 1.26 -0.94 3.16 2.07 -1.25 -1.63 116.25 120.08 3kz4 h VAL 388 Ca 0.29 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3kz4 h VAL 388 Cb 0.07 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 3kz4 h VAL 388 CO -0.04 0.40 0.58 0.00 0.02 0.00 0.00 177.57 178.53 3kz4 h ALA 389 N 0.99 1.26 -0.03 1.67 0.00 -0.86 -0.11 119.26 122.19 3kz4 h ALA 389 Ca 0.17 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3kz4 h ALA 389 Cb 0.51 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kz4 h ALA 389 CO 0.02 0.65 -0.47 0.77 0.00 0.00 0.00 179.25 180.22 3kz4 h SER 390 N 1.29 0.08 -0.22 0.00 0.02 -0.73 -1.16 113.55 112.82 3kz4 h SER 390 Ca 0.34 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 61.12 3kz4 h SER 390 Cb -0.09 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3kz4 h SER 390 CO -0.07 0.54 -0.38 0.40 -1.14 0.00 0.00 176.83 176.19 3kz4 h ILE 391 N 0.06 1.32 -0.64 3.27 2.04 -0.33 -3.06 117.51 120.17 3kz4 h ILE 391 Ca 0.00 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 3kz4 h ILE 391 Cb 0.86 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 3kz4 h ILE 391 CO 0.06 0.50 0.31 -0.09 0.00 0.00 0.00 178.15 178.93 3kz4 h ARG 392 N 0.35 0.92 0.00 2.37 2.43 -0.85 -2.82 114.38 116.78 3kz4 h ARG 392 Ca 0.02 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3kz4 h ARG 392 Cb 0.98 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3kz4 h ARG 392 CO 0.09 0.74 0.00 0.43 -1.51 0.00 0.00 179.97 179.71 3kz4 n SER 393 N -4.49 0.00 0.20 -3.80 7.64 -0.46 -0.69 113.62 112.02 3kz4 n SER 393 Ca 0.05 0.09 0.09 0.00 1.01 0.00 0.00 58.87 60.11 3kz4 n SER 393 Cb 0.12 -0.23 0.13 0.00 -1.01 0.00 0.00 64.21 63.22 3kz4 n SER 393 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3kz4 h MET 394 N 0.00 0.00 0.00 1.43 2.86 -1.52 -3.38 114.93 114.33 3kz4 h MET 394 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kz4 h MET 394 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3kz4 h MET 394 CO 0.00 0.13 -0.90 1.28 1.06 0.00 0.00 176.91 178.49 3kz4 n LEU 395 N -3.13 1.92 -4.02 1.22 4.77 -0.58 -4.81 117.00 112.37 3kz4 n LEU 395 Ca 0.03 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 3kz4 n LEU 395 Cb 0.59 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 3kz4 n LEU 395 CO 0.36 0.32 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.57 3kz4 s VAL 396 N -1.90 1.64 0.00 4.08 1.01 0.13 -5.14 120.40 120.23 3kz4 s VAL 396 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3kz4 s VAL 396 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3kz4 s VAL 396 CO 0.00 0.35 0.46 0.29 0.00 0.00 0.00 175.10 176.19