#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k99 h MET 12 N 0.00 0.10 -3.64 0.54 2.86 -2.13 -3.46 114.93 109.19 3k99 h MET 12 Ca 0.00 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 3k99 h MET 12 Cb 0.00 -0.02 -0.16 0.00 0.06 0.00 0.00 31.60 31.47 3k99 h MET 12 CO 0.00 0.06 -0.40 -2.00 1.06 0.00 0.00 176.91 175.64 3k99 s GLU 13 N -6.19 0.72 -0.19 1.72 2.12 -1.26 -5.15 118.70 110.48 3k99 s GLU 13 Ca -0.13 -0.72 -0.04 0.00 0.36 0.00 0.00 54.97 54.43 3k99 s GLU 13 Cb 0.10 0.30 0.09 0.00 0.26 0.00 0.00 34.13 34.88 3k99 s GLU 13 CO 0.69 -0.21 0.24 -2.00 -0.54 0.00 0.00 175.26 173.44 3k99 s GLU 14 N -2.90 0.19 -0.03 4.30 2.56 -1.26 -5.15 118.70 116.41 3k99 s GLU 14 Ca -0.02 0.33 0.05 0.00 0.00 0.00 0.00 54.97 55.33 3k99 s GLU 14 Cb 0.01 -0.92 -0.01 0.00 2.00 0.00 0.00 34.13 35.21 3k99 s GLU 14 CO -0.06 -0.58 -0.18 -1.21 -0.56 0.00 0.00 175.26 172.67 3k99 s GLU 15 N 2.36 1.72 -0.00 4.30 2.02 -1.26 -5.12 118.70 122.72 3k99 s GLU 15 Ca 0.06 -0.65 -0.25 0.00 0.02 0.00 0.00 54.97 54.16 3k99 s GLU 15 Cb -0.15 -1.55 -0.05 0.00 0.10 0.00 0.00 34.13 32.48 3k99 s GLU 15 CO -0.12 0.32 0.75 -2.00 0.02 0.00 0.00 175.26 174.23 3k99 s GLU 16 N -0.17 4.47 -0.12 1.61 2.56 -1.26 -5.06 118.70 120.74 3k99 s GLU 16 Ca 0.01 1.01 0.00 0.00 0.00 0.00 0.00 54.97 55.99 3k99 s GLU 16 Cb -0.10 -3.40 0.02 0.00 2.00 0.00 0.00 34.13 32.65 3k99 s GLU 16 CO 0.01 0.18 -0.11 0.08 -0.56 0.00 0.00 175.26 174.87 3k99 s VAL 17 N 0.33 1.24 -0.12 3.70 1.01 -1.26 -4.37 120.40 120.93 3k99 s VAL 17 Ca 0.39 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 3k99 s VAL 17 Cb -0.19 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3k99 s VAL 17 CO 0.21 0.40 0.07 -1.61 0.00 0.00 0.00 175.10 174.18 3k99 s GLU 18 N 1.50 3.42 -0.17 2.72 2.02 -0.61 -4.95 118.70 122.63 3k99 s GLU 18 Ca 0.03 -0.28 -0.05 0.00 0.02 0.00 0.00 54.97 54.69 3k99 s GLU 18 Cb -0.13 -3.06 -0.03 0.00 0.10 0.00 0.00 34.13 31.01 3k99 s GLU 18 CO -0.08 0.63 -0.01 0.99 0.02 0.00 0.00 175.26 176.82 3k99 s THR 19 N -0.64 4.13 0.05 3.63 2.01 -1.26 -0.74 115.64 122.82 3k99 s THR 19 Ca 0.12 -0.27 0.08 0.00 0.31 0.00 0.00 61.69 61.93 3k99 s THR 19 Cb -0.12 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 3k99 s THR 19 CO 0.02 0.47 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.86 3k99 s PHE 20 N 0.49 2.49 0.22 4.92 0.40 0.64 -4.98 117.98 122.16 3k99 s PHE 20 Ca -0.01 -0.30 -0.23 0.00 -0.60 0.00 0.00 56.93 55.79 3k99 s PHE 20 Cb -0.14 -1.43 -0.08 0.00 0.51 0.00 0.00 43.02 41.88 3k99 s PHE 20 CO 0.02 0.24 0.78 0.00 0.70 0.00 0.00 175.22 176.96 3k99 s ALA 21 N -0.92 3.39 0.36 5.36 0.00 -1.26 -0.85 121.76 127.84 3k99 s ALA 21 Ca 0.14 0.30 -0.27 0.00 0.00 0.00 0.00 51.96 52.13 3k99 s ALA 21 Cb -0.10 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 3k99 s ALA 21 CO 0.05 0.29 1.17 -0.06 0.00 0.00 0.00 175.76 177.20 3k99 s PHE 22 N -1.40 3.20 0.50 0.00 0.08 0.04 -4.61 117.98 115.79 3k99 s PHE 22 Ca 0.41 1.57 -0.22 0.00 0.12 0.00 0.00 56.93 58.82 3k99 s PHE 22 Cb -0.19 -3.40 -0.07 0.00 -0.57 0.00 0.00 43.02 38.79 3k99 s PHE 22 CO 0.23 -1.18 1.14 0.94 -0.10 0.00 0.00 175.22 176.25 3k99 n GLN 23 N 0.44 1.43 -0.09 0.44 0.00 0.36 -4.70 117.38 115.26 3k99 n GLN 23 Ca 0.02 0.52 -0.09 0.00 -0.00 0.00 0.00 57.00 57.46 3k99 n GLN 23 Cb 0.46 -2.28 -0.03 0.00 0.00 0.00 0.00 30.24 28.39 3k99 n GLN 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k99 h ALA 24 N 1.32 -0.28 -0.26 1.69 0.00 -1.93 -0.77 119.26 119.03 3k99 h ALA 24 Ca -0.48 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 3k99 h ALA 24 Cb 1.33 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 3k99 h ALA 24 CO 0.56 -0.77 -0.26 0.93 0.00 0.00 0.00 179.25 179.71 3k99 h GLU 25 N -0.30 0.51 -0.57 0.00 5.08 -1.98 -1.63 114.58 115.69 3k99 h GLU 25 Ca 0.15 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3k99 h GLU 25 Cb 0.55 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3k99 h GLU 25 CO -0.50 0.72 0.30 0.82 -1.00 0.00 0.00 179.01 179.35 3k99 h ILE 26 N 0.44 1.19 -0.73 3.13 2.04 -1.66 0.31 117.51 122.24 3k99 h ILE 26 Ca 0.06 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 3k99 h ILE 26 Cb 0.69 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3k99 h ILE 26 CO 0.05 0.21 0.35 0.00 0.00 0.00 0.00 178.15 178.76 3k99 h ALA 27 N 1.13 0.94 -0.51 1.87 0.00 -0.82 -0.69 119.26 121.18 3k99 h ALA 27 Ca 0.20 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3k99 h ALA 27 Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3k99 h ALA 27 CO -0.03 0.51 -0.01 0.37 0.00 0.00 0.00 179.25 180.10 3k99 h GLN 28 N 1.03 0.87 -0.61 0.00 4.15 -0.93 -1.60 115.11 118.02 3k99 h GLN 28 Ca 0.25 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3k99 h GLN 28 Cb 0.13 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 3k99 h GLN 28 CO -0.03 0.87 0.30 1.25 -1.93 0.00 0.00 178.83 179.29 3k99 h LEU 29 N 0.80 0.79 -0.42 -2.39 5.85 0.10 -1.65 115.31 118.39 3k99 h LEU 29 Ca 0.15 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3k99 h LEU 29 Cb 0.49 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3k99 h LEU 29 CO 0.02 0.69 0.09 0.24 -0.34 0.00 0.00 178.44 179.14 3k99 h MET 30 N 0.83 0.69 -0.84 1.25 2.86 -0.75 -1.22 114.93 117.74 3k99 h MET 30 Ca 0.21 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3k99 h MET 30 Cb 0.11 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 3k99 h MET 30 CO -0.03 0.71 0.56 0.77 1.06 0.00 0.00 176.91 179.98 3k99 h SER 31 N 0.55 0.97 -0.49 1.22 0.02 -1.15 -0.51 113.55 114.17 3k99 h SER 31 Ca 0.13 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3k99 h SER 31 Cb 0.34 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3k99 h SER 31 CO 0.00 0.70 0.17 0.25 -1.14 0.00 0.00 176.83 176.82 3k99 h LEU 32 N 1.14 0.69 -0.43 5.07 5.85 -0.76 0.23 115.31 127.10 3k99 h LEU 32 Ca 0.31 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 3k99 h LEU 32 Cb -0.13 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3k99 h LEU 32 CO -0.07 0.69 -0.12 0.40 -0.34 0.00 0.00 178.44 179.01 3k99 h ILE 33 N 0.65 1.27 -0.04 4.05 2.04 -0.79 -3.13 117.51 121.57 3k99 h ILE 33 Ca 0.16 -1.23 -0.11 0.00 1.00 0.00 0.00 64.86 64.68 3k99 h ILE 33 Cb 0.23 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3k99 h ILE 33 CO -0.01 0.42 -0.40 0.40 0.00 0.00 0.00 178.15 178.55 3k99 h ILE 34 N 0.66 1.44 -0.57 -0.67 2.04 -0.95 -3.35 117.51 116.12 3k99 h ILE 34 Ca 0.11 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.09 3k99 h ILE 34 Cb 0.66 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 3k99 h ILE 34 CO 0.04 0.54 0.00 0.59 0.00 0.00 0.00 178.15 179.32 3k99 n ASN 35 N -4.36 5.50 -4.17 1.72 3.02 0.06 -4.86 115.26 112.16 3k99 n ASN 35 Ca -0.09 -2.85 -0.24 0.00 -0.03 0.00 0.00 54.58 51.38 3k99 n ASN 35 Cb 0.56 -0.67 -0.15 0.00 -0.61 0.00 0.00 39.78 38.91 3k99 n ASN 35 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3k99 s THR 36 N -2.61 1.35 0.18 3.41 2.01 -1.18 -5.01 115.64 113.80 3k99 s THR 36 Ca 0.53 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 3k99 s THR 36 Cb 0.39 -1.15 -0.08 0.00 0.01 0.00 0.00 72.50 71.68 3k99 s THR 36 CO 0.17 0.26 1.15 0.12 -0.69 0.00 0.00 174.62 175.63 3k99 s PHE 37 N -0.57 3.50 0.01 4.92 2.19 -1.26 -4.92 117.98 121.85 3k99 s PHE 37 Ca 0.06 1.51 0.01 0.00 0.33 0.00 0.00 56.93 58.84 3k99 s PHE 37 Cb -0.07 -3.36 -0.01 0.00 -1.31 0.00 0.00 43.02 38.27 3k99 s PHE 37 CO 0.00 -0.92 -0.03 0.71 1.83 0.00 0.00 175.22 176.82 3k99 s TYR 38 N -0.18 0.25 -1.54 10.12 1.51 -1.26 -5.06 117.35 121.20 3k99 s TYR 38 Ca 0.51 -0.21 0.22 0.00 -1.01 0.00 0.00 57.07 56.59 3k99 s TYR 38 Cb -0.31 -0.16 0.01 0.00 -0.11 0.00 0.00 41.96 41.38 3k99 s TYR 38 CO 0.36 -0.06 1.08 -1.13 -1.11 0.00 0.00 175.55 174.69 3k99 n SER 39 N 2.50 1.44 -2.27 2.29 3.41 -1.26 -4.46 113.62 115.27 3k99 n SER 39 Ca -0.16 -1.17 -0.29 0.00 -0.26 0.00 0.00 58.87 56.98 3k99 n SER 39 Cb 0.58 0.64 0.03 0.00 -0.26 0.00 0.00 64.21 65.20 3k99 n SER 39 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3k99 n ASN 40 N -0.75 5.85 0.29 4.04 5.15 -1.26 -4.83 115.26 123.75 3k99 n ASN 40 Ca 0.07 -3.76 0.18 0.00 -0.60 0.00 0.00 54.58 50.47 3k99 n ASN 40 Cb 0.40 -0.59 0.81 0.00 -0.53 0.00 0.00 39.78 39.86 3k99 n ASN 40 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3k99 h LYS 41 N 2.29 0.00 0.00 1.20 1.57 -1.98 -2.96 116.57 116.68 3k99 h LYS 41 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3k99 h LYS 41 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3k99 h LYS 41 CO 1.05 0.01 0.00 -0.85 -0.57 0.00 0.00 179.45 179.10 3k99 n GLU 42 N -3.11 0.15 0.07 3.15 0.28 -1.26 -1.75 120.64 118.17 3k99 n GLU 42 Ca -0.00 0.60 0.10 0.00 -0.16 0.00 0.00 57.16 57.69 3k99 n GLU 42 Cb 0.25 -1.94 0.41 0.00 1.43 0.00 0.00 31.44 31.59 3k99 n GLU 42 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 3k99 n ILE 43 N -2.25 0.87 -0.34 3.84 -6.64 -1.12 -2.42 119.36 111.29 3k99 n ILE 43 Ca -0.01 0.21 0.07 0.00 -1.77 0.00 0.00 62.75 61.26 3k99 n ILE 43 Cb 0.07 -1.05 0.26 0.00 -1.44 0.00 0.00 39.64 37.49 3k99 n ILE 43 CO 0.00 0.00 0.00 2.19 -1.77 0.00 0.00 176.55 176.97 3k99 h PHE 44 N 0.00 1.08 -0.28 4.28 -5.15 -1.62 -2.07 116.94 113.18 3k99 h PHE 44 Ca 0.00 0.03 -0.16 0.00 -0.20 0.00 0.00 57.97 57.64 3k99 h PHE 44 Cb 0.33 -0.34 -0.01 0.00 0.22 0.00 0.00 35.95 36.15 3k99 h PHE 44 CO 0.00 0.45 -0.46 1.25 -2.00 0.00 0.00 178.31 177.55 3k99 h LEU 45 N 0.96 0.81 -0.69 2.10 5.85 -1.74 -1.96 115.31 120.64 3k99 h LEU 45 Ca 0.47 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3k99 h LEU 45 Cb 0.47 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3k99 h LEU 45 CO -0.23 1.15 0.40 -0.09 -0.34 0.00 0.00 178.44 179.33 3k99 h ARG 46 N 0.60 0.73 -0.44 1.25 2.43 -1.54 -1.03 114.38 116.38 3k99 h ARG 46 Ca 0.03 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 3k99 h ARG 46 Cb 1.03 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3k99 h ARG 46 CO 0.10 0.48 -0.24 0.93 -1.51 0.00 0.00 179.97 179.73 3k99 h GLU 47 N 0.75 0.92 -0.24 0.20 4.39 -1.13 0.13 114.58 119.60 3k99 h GLU 47 Ca 0.30 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3k99 h GLU 47 Cb 0.15 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3k99 h GLU 47 CO -0.16 1.06 0.10 -0.07 -1.16 0.00 0.00 179.01 178.77 3k99 h LEU 48 N 0.79 0.33 -0.68 1.33 3.38 -1.10 -0.99 115.31 118.36 3k99 h LEU 48 Ca 0.10 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3k99 h LEU 48 Cb 0.80 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3k99 h LEU 48 CO 0.07 0.40 0.20 0.40 0.09 0.00 0.00 178.44 179.59 3k99 h ILE 49 N 0.24 1.26 -0.71 1.22 2.04 -1.07 -1.35 117.51 119.14 3k99 h ILE 49 Ca 0.08 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.04 3k99 h ILE 49 Cb 0.17 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3k99 h ILE 49 CO -0.01 0.35 0.46 -1.28 0.00 0.00 0.00 178.15 177.68 3k99 h SER 50 N 1.01 0.82 -0.79 1.72 0.87 -0.59 0.50 113.55 117.09 3k99 h SER 50 Ca 0.22 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 3k99 h SER 50 Cb 0.33 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 3k99 h SER 50 CO -0.00 0.60 0.31 0.78 -0.53 0.00 0.00 176.83 177.98 3k99 h ASN 51 N 0.96 1.10 -0.45 6.23 2.35 -0.88 -0.21 115.58 124.68 3k99 h ASN 51 Ca 0.26 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3k99 h ASN 51 Cb -0.10 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 37.96 3k99 h ASN 51 CO -0.05 0.97 0.26 0.28 -1.65 0.00 0.00 177.43 177.24 3k99 h SER 52 N 1.15 0.55 -0.81 5.81 0.02 -0.74 -1.19 113.55 118.34 3k99 h SER 52 Ca 0.26 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3k99 h SER 52 Cb 0.23 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 3k99 h SER 52 CO -0.02 0.46 0.36 -1.28 -1.14 0.00 0.00 176.83 175.22 3k99 h SER 53 N 0.59 1.09 -0.68 3.07 0.87 -0.40 0.80 113.55 118.89 3k99 h SER 53 Ca 0.16 -0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 3k99 h SER 53 Cb 0.03 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 3k99 h SER 53 CO -0.03 0.93 0.15 0.44 -0.53 0.00 0.00 176.83 177.80 3k99 h ASP 54 N 1.17 1.04 0.23 6.23 3.32 -0.85 0.01 116.42 127.56 3k99 h ASP 54 Ca 0.28 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 3k99 h ASP 54 Cb 0.16 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3k99 h ASP 54 CO -0.03 1.01 -0.38 0.00 -1.72 0.00 0.00 179.24 178.12 3k99 h ALA 55 N 1.07 1.18 -0.04 3.45 0.00 -0.52 -1.84 119.26 122.55 3k99 h ALA 55 Ca 0.21 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3k99 h ALA 55 Cb 0.39 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3k99 h ALA 55 CO 0.01 0.55 -0.52 -0.07 0.00 0.00 0.00 179.25 179.22 3k99 h LEU 56 N 0.18 0.53 -0.98 0.00 3.38 -0.56 -1.19 115.31 116.67 3k99 h LEU 56 Ca 0.02 -0.70 0.15 0.00 0.09 0.00 0.00 57.88 57.44 3k99 h LEU 56 Cb 0.75 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.25 3k99 h LEU 56 CO 0.06 1.16 0.59 0.44 0.09 0.00 0.00 178.44 180.78 3k99 h ASP 57 N -0.05 0.80 -0.15 -0.43 3.32 -0.92 0.89 116.42 119.89 3k99 h ASP 57 Ca -0.05 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3k99 h ASP 57 Cb 1.20 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 3k99 h ASP 57 CO 0.10 0.36 0.08 0.50 -1.72 0.00 0.00 179.24 178.57 3k99 h LYS 58 N 0.84 0.20 -0.00 3.56 1.63 -1.21 0.27 116.57 121.86 3k99 h LYS 58 Ca 0.53 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 60.14 3k99 h LYS 58 Cb 0.69 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.26 3k99 h LYS 58 CO -0.33 0.19 -0.75 0.97 -3.45 0.00 0.00 179.45 176.08 3k99 h ILE 59 N 0.15 1.51 -0.39 2.00 6.09 -1.24 -2.42 117.51 123.22 3k99 h ILE 59 Ca 0.05 -2.51 -0.03 0.00 -1.37 0.00 0.00 64.86 61.00 3k99 h ILE 59 Cb 0.05 2.36 -0.02 0.00 0.47 0.00 0.00 36.82 39.68 3k99 h ILE 59 CO -0.01 0.72 0.11 -0.09 -3.07 0.00 0.00 178.15 175.81 3k99 h ARG 60 N 0.03 0.61 -0.23 2.19 2.43 -0.38 -1.38 114.38 117.65 3k99 h ARG 60 Ca -0.01 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 3k99 h ARG 60 Cb 1.33 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 3k99 h ARG 60 CO 0.10 0.63 -0.07 1.88 -1.51 0.00 0.00 179.97 181.00 3k99 h TYR 61 N 0.48 0.52 -0.47 2.20 0.99 -0.45 -2.87 116.97 117.37 3k99 h TYR 61 Ca 0.12 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 3k99 h TYR 61 Cb 0.28 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 37.86 3k99 h TYR 61 CO 0.01 0.69 0.28 0.93 -0.00 0.00 0.00 178.16 180.08 3k99 h GLU 62 N 0.19 0.63 0.00 4.88 5.08 -1.42 0.14 114.58 124.07 3k99 h GLU 62 Ca 0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3k99 h GLU 62 Cb 0.53 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3k99 h GLU 62 CO 0.02 0.44 -0.04 0.66 -1.00 0.00 0.00 179.01 179.09 3k99 h SER 63 N 0.64 0.00 0.16 1.42 4.64 -1.03 0.24 113.55 119.62 3k99 h SER 63 Ca 0.17 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 3k99 h SER 63 Cb -0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3k99 h SER 63 CO -0.03 0.04 -0.27 -0.07 -0.87 0.00 0.00 176.83 175.62 3k99 h LEU 64 N 0.00 0.19 0.00 5.97 3.38 -0.78 -2.68 115.31 121.39 3k99 h LEU 64 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3k99 h LEU 64 Cb 0.28 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3k99 h LEU 64 CO 0.01 0.47 -1.78 0.35 0.09 0.00 0.00 178.44 177.58 3k99 n THR 65 N -4.15 0.00 -3.42 0.22 -2.24 -0.87 -4.81 114.28 99.01 3k99 n THR 65 Ca -0.01 -0.40 -0.24 0.00 -2.27 0.00 0.00 64.05 61.13 3k99 n THR 65 Cb 0.37 0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 3k99 n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k99 s ASP 66 N -4.02 2.23 0.61 3.42 2.15 0.02 -5.01 116.67 116.06 3k99 s ASP 66 Ca -0.06 -1.96 0.34 0.00 0.43 0.00 0.00 52.55 51.30 3k99 s ASP 66 Cb 0.12 -0.01 1.98 0.00 -0.30 0.00 0.00 42.92 44.71 3k99 s ASP 66 CO 0.76 -0.29 2.27 -0.65 -0.17 0.00 0.00 175.17 177.10 3k99 h PRO 67 N 7.01 0.00 0.00 4.34 0.11 -1.72 -1.82 132.00 139.91 3k99 h PRO 67 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3k99 h PRO 67 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3k99 h PRO 67 CO 0.23 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 176.91 3k99 n SER 68 N -3.57 0.54 0.29 -2.05 3.41 -1.26 -1.96 113.62 109.01 3k99 n SER 68 Ca -0.03 0.64 0.17 0.00 -0.26 0.00 0.00 58.87 59.38 3k99 n SER 68 Cb 0.10 -0.75 0.94 0.00 -0.26 0.00 0.00 64.21 64.24 3k99 n SER 68 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3k99 h LYS 69 N 0.00 0.00 -0.37 4.33 1.79 -1.69 -0.77 116.57 119.87 3k99 h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3k99 h LYS 69 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3k99 h LYS 69 CO 0.00 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.65 3k99 n LEU 70 N -3.71 2.59 -0.10 2.94 4.77 -0.83 -4.22 117.00 118.45 3k99 n LEU 70 Ca -0.02 -1.18 0.14 0.00 -0.03 0.00 0.00 56.01 54.91 3k99 n LEU 70 Cb 0.13 -0.24 0.52 0.00 -2.33 0.00 0.00 43.42 41.50 3k99 n LEU 70 CO 0.26 0.59 1.19 0.44 -1.33 0.00 0.00 177.39 178.54 3k99 h ASP 71 N 3.15 0.34 0.00 -1.43 5.19 -1.30 0.55 116.42 122.92 3k99 h ASP 71 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3k99 h ASP 71 Cb 0.70 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.15 3k99 h ASP 71 CO 0.00 0.20 0.00 -1.54 -3.12 0.00 0.00 179.24 174.78 3k99 n SER 72 N -4.46 0.00 0.00 6.45 3.41 -1.26 -4.86 113.62 112.89 3k99 n SER 72 Ca 0.11 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 3k99 n SER 72 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3k99 n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k99 n GLY 73 N 0.91 3.74 0.09 5.00 0.00 0.18 -4.25 105.19 110.86 3k99 n GLY 73 Ca 0.22 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.87 3k99 n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k99 n LYS 74 N 0.00 0.63 -2.06 1.61 5.02 -1.23 -4.73 118.16 117.40 3k99 n LYS 74 Ca 0.00 0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 3k99 n LYS 74 Cb 0.00 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.22 3k99 n LYS 74 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3k99 s GLU 75 N -2.99 4.28 -0.27 1.97 2.02 -1.26 -4.99 118.70 117.46 3k99 s GLU 75 Ca -0.04 2.23 0.03 0.00 0.02 0.00 0.00 54.97 57.21 3k99 s GLU 75 Cb 0.09 -3.16 0.07 0.00 0.10 0.00 0.00 34.13 31.23 3k99 s GLU 75 CO 0.82 -0.44 -0.06 -0.51 0.02 0.00 0.00 175.26 175.08 3k99 s LEU 76 N 0.37 3.58 0.29 1.80 1.43 -1.26 -4.76 118.68 120.13 3k99 s LEU 76 Ca 0.63 -1.54 -0.19 0.00 -1.03 0.00 0.00 54.13 52.00 3k99 s LEU 76 Cb -0.40 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.38 3k99 s LEU 76 CO 0.37 -0.24 0.88 -1.38 0.23 0.00 0.00 176.35 176.20 3k99 s HIS 77 N 1.11 0.05 -0.07 0.29 -3.43 -1.26 -4.32 115.29 107.67 3k99 s HIS 77 Ca -0.04 -0.59 0.01 0.00 -0.80 0.00 0.00 55.06 53.64 3k99 s HIS 77 Cb -0.20 0.77 0.02 0.00 -1.43 0.00 0.00 32.58 31.74 3k99 s HIS 77 CO -0.06 -1.27 -0.07 0.42 -2.00 0.00 0.00 174.74 171.76 3k99 s ILE 78 N -2.50 0.79 -0.07 -5.38 1.01 -0.29 -2.77 121.20 111.99 3k99 s ILE 78 Ca 0.17 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.62 3k99 s ILE 78 Cb -0.04 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 3k99 s ILE 78 CO 0.08 0.30 -0.13 0.20 0.00 0.00 0.00 174.94 175.39 3k99 s ASN 79 N 1.16 4.09 -0.16 3.58 0.01 0.16 -1.01 114.94 122.77 3k99 s ASN 79 Ca -0.06 -0.20 -0.01 0.00 -0.71 0.00 0.00 52.86 51.87 3k99 s ASN 79 Cb -0.14 -1.04 -0.01 0.00 0.41 0.00 0.00 41.25 40.47 3k99 s ASN 79 CO -0.01 0.31 -0.12 -0.76 -1.51 0.00 0.00 177.10 175.01 3k99 s LEU 80 N -0.51 2.67 -0.37 0.60 1.43 -0.17 -0.19 118.68 122.14 3k99 s LEU 80 Ca 0.07 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3k99 s LEU 80 Cb -0.12 -1.62 0.13 0.00 0.03 0.00 0.00 46.19 44.61 3k99 s LEU 80 CO 0.02 0.10 0.19 -0.63 0.23 0.00 0.00 176.35 176.25 3k99 s ILE 81 N 0.76 0.72 0.12 -0.59 1.01 0.97 -0.91 121.20 123.28 3k99 s ILE 81 Ca -0.05 -1.87 -0.30 0.00 0.00 0.00 0.00 60.65 58.43 3k99 s ILE 81 Cb -0.15 -1.52 -0.06 0.00 0.01 0.00 0.00 42.46 40.73 3k99 s ILE 81 CO 0.01 -0.87 1.08 -2.16 0.00 0.00 0.00 174.94 173.00 3k99 s PRO 82 N 1.01 4.58 -0.38 2.79 0.04 -1.25 -1.04 135.00 140.76 3k99 s PRO 82 Ca 0.15 1.64 0.02 0.00 0.04 0.00 0.00 61.00 62.85 3k99 s PRO 82 Cb -0.22 -3.33 0.11 0.00 0.04 0.00 0.00 34.50 31.10 3k99 s PRO 82 CO -0.08 0.02 0.15 1.21 0.04 0.00 0.00 177.00 178.34 3k99 s ASN 83 N 0.30 4.09 0.38 6.66 3.84 0.43 -1.87 114.94 128.77 3k99 s ASN 83 Ca 0.51 -2.18 0.08 0.00 0.21 0.00 0.00 52.86 51.47 3k99 s ASN 83 Cb -0.27 -1.15 0.77 0.00 -0.55 0.00 0.00 41.25 40.06 3k99 s ASN 83 CO 0.32 -0.34 1.95 0.11 -2.79 0.00 0.00 177.10 176.34 3k99 h LYS 84 N 7.41 0.38 0.00 0.43 1.57 -1.81 0.06 116.57 124.62 3k99 h LYS 84 Ca -0.07 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 3k99 h LYS 84 Cb 0.98 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3k99 h LYS 84 CO 0.50 0.40 -0.40 1.96 -0.57 0.00 0.00 179.45 181.34 3k99 h GLN 85 N 0.37 0.00 0.00 3.15 4.20 -1.94 -2.42 115.11 118.47 3k99 h GLN 85 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3k99 h GLN 85 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3k99 h GLN 85 CO 0.00 0.40 -0.89 -0.25 -0.67 0.00 0.00 178.83 177.43 3k99 n ASP 86 N -3.54 0.71 -3.80 1.46 8.00 -0.94 -4.97 116.55 113.47 3k99 n ASP 86 Ca -0.00 -0.53 -0.26 0.00 0.71 0.00 0.00 54.79 54.71 3k99 n ASP 86 Cb 0.53 0.76 0.03 0.00 -0.02 0.00 0.00 41.12 42.42 3k99 n ASP 86 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3k99 n ARG 87 N -1.65 -5.29 -4.67 -1.24 0.63 -0.04 -4.87 116.66 99.52 3k99 n ARG 87 Ca 0.04 0.61 -0.28 0.00 -0.92 0.00 0.00 57.85 57.30 3k99 n ARG 87 Cb 0.37 -5.34 -0.14 0.00 0.45 0.00 0.00 32.46 27.80 3k99 n ARG 87 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3k99 s THR 88 N -3.49 2.04 -0.17 5.15 -4.23 -0.89 -1.71 115.64 112.33 3k99 s THR 88 Ca 0.33 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.38 3k99 s THR 88 Cb -0.16 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 71.91 3k99 s THR 88 CO 0.82 0.23 -0.17 -0.22 -0.54 0.00 0.00 174.62 174.73 3k99 s LEU 89 N -1.50 2.30 -0.11 4.79 2.96 -0.52 -0.43 118.68 126.18 3k99 s LEU 89 Ca 0.11 -0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 53.45 3k99 s LEU 89 Cb -0.10 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3k99 s LEU 89 CO 0.03 0.03 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.11 3k99 s THR 90 N 1.11 3.38 -0.16 3.68 2.01 -0.20 -1.04 115.64 124.42 3k99 s THR 90 Ca 0.00 -0.57 -0.00 0.00 0.31 0.00 0.00 61.69 61.43 3k99 s THR 90 Cb -0.14 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 3k99 s THR 90 CO -0.07 0.54 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.64 3k99 s ILE 91 N -0.06 2.86 -0.05 1.82 1.09 0.30 -0.02 121.20 127.13 3k99 s ILE 91 Ca -0.01 -0.71 0.05 0.00 -1.10 0.00 0.00 60.65 58.88 3k99 s ILE 91 Cb -0.14 -2.22 -0.01 0.00 -1.06 0.00 0.00 42.46 39.04 3k99 s ILE 91 CO 0.03 0.51 -0.21 -0.69 -0.10 0.00 0.00 174.94 174.48 3k99 s VAL 92 N 0.76 1.75 0.12 2.92 1.01 0.73 -0.03 120.40 127.67 3k99 s VAL 92 Ca -0.05 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.05 3k99 s VAL 92 Cb -0.15 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3k99 s VAL 92 CO 0.01 0.49 -0.05 1.51 0.00 0.00 0.00 175.10 177.07 3k99 s ASP 93 N -0.03 1.19 -0.44 3.32 1.47 -0.31 0.41 116.67 122.29 3k99 s ASP 93 Ca -0.05 -1.06 0.04 0.00 1.18 0.00 0.00 52.55 52.67 3k99 s ASP 93 Cb -0.13 0.10 0.50 0.00 -0.34 0.00 0.00 42.92 43.05 3k99 s ASP 93 CO 0.03 -0.49 1.64 0.35 0.68 0.00 0.00 175.17 177.38 3k99 n THR 94 N -0.11 2.99 -0.02 2.11 -2.24 -1.11 -2.09 114.28 113.80 3k99 n THR 94 Ca -0.10 -3.09 0.00 0.00 -2.27 0.00 0.00 64.05 58.59 3k99 n THR 94 Cb 0.61 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 3k99 n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k99 n GLY 95 N -0.96 -1.35 0.24 3.38 0.00 -1.26 -4.70 105.19 100.54 3k99 n GLY 95 Ca 0.49 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 45.11 3k99 n GLY 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3k99 h ILE 96 N -0.24 0.20 -0.40 -0.61 2.10 -1.54 -3.19 117.51 113.82 3k99 h ILE 96 Ca 0.00 -0.86 0.05 0.00 1.08 0.00 0.00 64.86 65.13 3k99 h ILE 96 Cb 0.00 1.72 -0.01 0.00 -1.09 0.00 0.00 36.82 37.44 3k99 h ILE 96 CO 0.00 0.08 -0.06 0.61 -1.08 0.00 0.00 178.15 177.70 3k99 n GLY 97 N 0.34 -2.20 3.05 8.18 0.00 -1.26 -4.32 105.19 108.97 3k99 n GLY 97 Ca 0.01 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 3k99 n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3k99 s MET 98 N -1.05 1.35 0.89 1.61 1.00 -1.26 -4.80 119.30 117.04 3k99 s MET 98 Ca 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 55.69 55.15 3k99 s MET 98 Cb 0.00 -1.20 0.12 0.00 0.00 0.00 0.00 34.83 33.75 3k99 s MET 98 CO 0.00 0.14 1.11 0.95 0.00 0.00 0.00 175.02 177.22 3k99 s THR 99 N 0.23 2.42 0.23 2.05 -4.23 -1.26 -4.02 115.64 111.06 3k99 s THR 99 Ca -0.05 0.14 -0.06 0.00 -1.18 0.00 0.00 61.69 60.53 3k99 s THR 99 Cb -0.11 -2.81 0.18 0.00 1.34 0.00 0.00 72.50 71.10 3k99 s THR 99 CO 0.02 -0.18 1.77 0.50 -0.54 0.00 0.00 174.62 176.18 3k99 h LYS 100 N -1.44 0.54 -0.74 3.99 3.64 -1.97 -0.97 116.57 119.62 3k99 h LYS 100 Ca -0.50 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.80 3k99 h LYS 100 Cb 1.31 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 3k99 h LYS 100 CO 0.60 0.36 0.26 0.00 -2.27 0.00 0.00 179.45 178.39 3k99 h ALA 101 N 1.45 0.96 -0.74 5.00 0.00 -2.00 -2.08 119.26 121.86 3k99 h ALA 101 Ca 0.36 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3k99 h ALA 101 Cb 0.43 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3k99 h ALA 101 CO -0.30 0.62 0.46 -0.44 0.00 0.00 0.00 179.25 179.59 3k99 h ASP 102 N 1.08 0.74 -0.08 0.00 3.32 -1.71 0.39 116.42 120.16 3k99 h ASP 102 Ca 0.24 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.32 3k99 h ASP 102 Cb 0.27 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3k99 h ASP 102 CO -0.01 0.50 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.86 3k99 h LEU 103 N 0.88 -0.24 -0.17 1.55 3.38 -0.66 0.95 115.31 121.00 3k99 h LEU 103 Ca 0.31 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.24 3k99 h LEU 103 Cb 0.06 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3k99 h LEU 103 CO -0.13 -0.11 -0.21 0.40 0.09 0.00 0.00 178.44 178.48 3k99 h ILE 104 N -0.10 1.34 -0.18 1.22 2.04 -1.06 -0.02 117.51 120.76 3k99 h ILE 104 Ca 0.06 -1.41 -0.09 0.00 1.00 0.00 0.00 64.86 64.42 3k99 h ILE 104 Cb 0.18 1.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3k99 h ILE 104 CO -0.14 0.42 -0.22 0.78 0.00 0.00 0.00 178.15 178.99 3k99 h ASN 105 N 0.10 0.51 0.17 1.72 2.35 -0.91 -2.72 115.58 116.80 3k99 h ASN 105 Ca 0.02 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3k99 h ASN 105 Cb 0.77 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3k99 h ASN 105 CO 0.05 0.91 -1.29 0.59 -1.65 0.00 0.00 177.43 176.04 3k99 n ASN 106 N -4.44 0.57 -1.90 5.81 3.02 0.32 -3.47 115.26 115.18 3k99 n ASN 106 Ca -0.06 -0.42 -0.22 0.00 -0.03 0.00 0.00 54.58 53.86 3k99 n ASN 106 Cb 0.42 1.20 0.06 0.00 -0.61 0.00 0.00 39.78 40.85 3k99 n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3k99 n LEU 107 N -1.89 5.13 0.00 3.41 4.77 -0.02 -4.93 117.00 123.47 3k99 n LEU 107 Ca 0.01 -4.55 0.00 0.00 -0.03 0.00 0.00 56.01 51.44 3k99 n LEU 107 Cb 0.44 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3k99 n LEU 107 CO 0.43 1.90 0.00 0.61 -1.33 0.00 0.00 177.39 179.00 3k99 n GLY 108 N -0.80 0.74 0.00 -0.72 0.00 -1.25 -4.89 105.19 98.27 3k99 n GLY 108 Ca 0.44 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.57 3k99 n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k99 n THR 109 N 0.00 0.00 -4.07 2.61 -2.24 -1.02 -0.49 114.28 109.08 3k99 n THR 109 Ca 0.00 -0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.49 3k99 n THR 109 Cb 0.00 0.69 -0.17 0.00 -2.10 0.00 0.00 70.33 68.75 3k99 n THR 109 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3k99 s ILE 110 N -3.01 1.27 -0.54 2.28 1.01 -1.23 -4.50 121.20 116.49 3k99 s ILE 110 Ca 0.09 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 60.00 3k99 s ILE 110 Cb 0.17 -1.22 0.03 0.00 0.01 0.00 0.00 42.46 41.44 3k99 s ILE 110 CO 0.80 0.40 1.20 0.00 0.00 0.00 0.00 174.94 177.35 3k99 s ALA 111 N 1.46 3.03 0.84 9.38 0.00 -1.26 -4.92 121.76 130.29 3k99 s ALA 111 Ca 0.02 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 3k99 s ALA 111 Cb -0.13 -3.99 0.10 0.00 0.00 0.00 0.00 23.12 19.09 3k99 s ALA 111 CO -0.07 -2.54 1.12 0.15 0.00 0.00 0.00 175.76 174.42 3k99 s LYS 112 N 4.84 1.67 0.23 0.00 -0.14 -1.26 -4.91 119.74 120.17 3k99 s LYS 112 Ca 0.46 1.38 -0.31 0.00 -1.36 0.00 0.00 55.97 56.14 3k99 s LYS 112 Cb -0.08 -1.81 -0.11 0.00 -1.68 0.00 0.00 37.83 34.15 3k99 s LYS 112 CO 0.28 -2.12 1.59 -1.54 -0.76 0.00 0.00 175.35 172.81 3k99 s SER 113 N -2.99 6.48 0.00 2.83 1.04 -1.26 -2.59 113.70 117.20 3k99 s SER 113 Ca 0.64 2.80 0.00 0.00 0.48 0.00 0.00 55.95 59.87 3k99 s SER 113 Cb -0.20 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.30 3k99 s SER 113 CO 0.56 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.52 3k99 n GLY 114 N 3.03 0.46 0.10 7.32 0.00 -1.26 -4.84 105.19 110.00 3k99 n GLY 114 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 3k99 n GLY 114 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3k99 h THR 115 N 0.00 1.19 -0.63 2.61 2.02 -1.69 0.06 112.91 116.47 3k99 h THR 115 Ca 0.00 -0.61 -0.07 0.00 0.77 0.00 0.00 66.41 66.50 3k99 h THR 115 Cb 0.00 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3k99 h THR 115 CO 0.00 0.18 0.11 0.50 0.37 0.00 0.00 175.52 176.68 3k99 h LYS 116 N 0.02 1.02 -0.25 6.66 3.64 -1.92 0.16 116.57 125.91 3k99 h LYS 116 Ca 0.04 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 3k99 h LYS 116 Cb 0.25 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3k99 h LYS 116 CO 0.00 0.94 0.12 0.00 -2.27 0.00 0.00 179.45 178.23 3k99 h ALA 117 N 1.15 0.32 -0.36 5.00 0.00 -1.92 0.88 119.26 124.33 3k99 h ALA 117 Ca 0.20 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3k99 h ALA 117 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3k99 h ALA 117 CO 0.01 -0.11 0.00 0.35 0.00 0.00 0.00 179.25 179.50 3k99 h PHE 118 N 0.27 0.70 -0.85 0.00 3.57 -0.83 0.16 116.94 119.96 3k99 h PHE 118 Ca 0.09 -0.12 0.14 0.00 3.53 0.00 0.00 57.97 61.60 3k99 h PHE 118 Cb 0.12 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 38.59 3k99 h PHE 118 CO -0.02 0.74 0.45 1.98 -2.23 0.00 0.00 178.31 179.22 3k99 h MET 119 N 0.46 0.64 -0.38 1.11 4.05 -0.76 0.66 114.93 120.70 3k99 h MET 119 Ca 0.10 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.38 3k99 h MET 119 Cb 0.45 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 3k99 h MET 119 CO 0.02 0.42 -0.18 0.93 0.23 0.00 0.00 176.91 178.33 3k99 h GLU 120 N 0.66 0.80 -0.54 0.39 4.39 -0.43 -2.24 114.58 117.60 3k99 h GLU 120 Ca 0.45 -0.35 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 3k99 h GLU 120 Cb 0.60 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 3k99 h GLU 120 CO -0.34 0.97 0.04 0.00 -1.16 0.00 0.00 179.01 178.52 3k99 h ALA 121 N 0.81 1.07 -0.14 3.43 0.00 0.11 -1.00 119.26 123.53 3k99 h ALA 121 Ca 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3k99 h ALA 121 Cb 0.73 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3k99 h ALA 121 CO 0.05 0.59 0.01 -0.07 0.00 0.00 0.00 179.25 179.84 3k99 h LEU 122 N 0.82 0.23 -1.19 0.00 3.38 0.27 -0.48 115.31 118.35 3k99 h LEU 122 Ca 0.16 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.92 3k99 h LEU 122 Cb 0.43 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 3k99 h LEU 122 CO 0.02 0.45 0.57 1.56 0.09 0.00 0.00 178.44 181.13 3k99 h GLN 123 N -0.00 0.93 0.00 1.13 4.20 -1.24 0.19 115.11 120.31 3k99 h GLN 123 Ca 0.04 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3k99 h GLN 123 Cb 0.33 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3k99 h GLN 123 CO 0.00 0.62 -0.08 0.00 -0.67 0.00 0.00 178.83 178.70 3k99 h ALA 124 N 1.53 1.85 0.00 3.87 0.00 -0.95 -3.46 119.26 122.10 3k99 h ALA 124 Ca 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3k99 h ALA 124 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3k99 h ALA 124 CO -0.15 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.61 3k99 n GLY 125 N -1.30 1.84 3.82 0.00 0.00 0.65 -5.10 105.19 105.11 3k99 n GLY 125 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3k99 n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k99 s ALA 126 N -2.00 2.90 0.56 4.61 0.00 -0.24 -5.01 121.76 122.58 3k99 s ALA 126 Ca 0.00 0.25 -0.19 0.00 0.00 0.00 0.00 51.96 52.02 3k99 s ALA 126 Cb 0.00 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 3k99 s ALA 126 CO 0.00 -0.58 1.14 0.34 0.00 0.00 0.00 175.76 176.66 3k99 s ASP 127 N -3.06 5.58 0.27 0.00 3.68 -1.26 -4.66 116.67 117.23 3k99 s ASP 127 Ca 0.61 2.19 0.24 0.00 2.13 0.00 0.00 52.55 57.72 3k99 s ASP 127 Cb -0.13 -2.58 0.99 0.00 -1.45 0.00 0.00 42.92 39.75 3k99 s ASP 127 CO 0.37 -1.31 1.73 -0.29 0.13 0.00 0.00 175.17 175.80 3k99 h ILE 128 N 1.03 0.00 0.00 4.11 6.09 -1.95 -3.20 117.51 123.59 3k99 h ILE 128 Ca -0.50 -0.27 -0.01 0.00 -1.37 0.00 0.00 64.86 62.71 3k99 h ILE 128 Cb 1.26 1.04 -0.00 0.00 0.47 0.00 0.00 36.82 39.60 3k99 h ILE 128 CO 0.56 0.00 -0.06 -1.28 -3.07 0.00 0.00 178.15 174.30 3k99 h SER 129 N 0.00 0.00 0.41 2.19 0.87 -1.90 -1.67 113.55 113.45 3k99 h SER 129 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3k99 h SER 129 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3k99 h SER 129 CO 0.00 0.06 0.00 0.23 -0.53 0.00 0.00 176.83 176.59 3k99 n MET 130 N -3.37 0.58 -0.13 2.24 2.81 -1.21 -4.19 117.12 113.85 3k99 n MET 130 Ca -0.02 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.98 3k99 n MET 130 Cb 0.21 -1.50 0.45 0.00 -0.71 0.00 0.00 33.22 31.67 3k99 n MET 130 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3k99 h ILE 131 N 0.00 0.92 0.00 2.02 2.10 -1.55 0.24 117.51 121.23 3k99 h ILE 131 Ca 0.00 -0.18 -0.03 0.00 1.08 0.00 0.00 64.86 65.74 3k99 h ILE 131 Cb 0.21 0.35 -0.00 0.00 -1.09 0.00 0.00 36.82 36.28 3k99 h ILE 131 CO 0.00 0.10 -0.12 1.23 -1.08 0.00 0.00 178.15 178.27 3k99 h GLY 132 N 0.52 0.00 2.00 8.18 0.00 -1.83 -2.15 103.07 109.79 3k99 h GLY 132 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3k99 h GLY 132 CO -0.10 0.00 0.00 1.46 0.00 0.00 0.00 176.54 177.90 3k99 h GLN 133 N 0.00 0.00 -0.41 4.80 4.20 -0.82 -3.11 115.11 119.76 3k99 h GLN 133 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3k99 h GLN 133 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3k99 h GLN 133 CO 0.02 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.37 3k99 n PHE 134 N -2.52 1.32 -0.93 2.96 3.01 -0.81 -4.95 117.46 115.54 3k99 n PHE 134 Ca 0.04 -0.77 0.00 0.00 1.01 0.00 0.00 57.45 57.73 3k99 n PHE 134 Cb 0.37 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 3k99 n PHE 134 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k99 n GLY 135 N 0.12 0.55 0.63 1.37 0.00 -1.18 -4.34 105.19 102.34 3k99 n GLY 135 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.31 3k99 n GLY 135 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3k99 n VAL 136 N -2.35 2.22 0.14 1.61 0.24 -1.21 -4.80 118.33 114.19 3k99 n VAL 136 Ca 0.00 -3.25 0.08 0.00 -2.04 0.00 0.00 64.34 59.13 3k99 n VAL 136 Cb 0.07 -0.25 0.58 0.00 -1.47 0.00 0.00 33.84 32.76 3k99 n VAL 136 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3k99 h GLY 137 N 1.01 0.20 0.06 7.63 0.00 -1.84 -2.82 103.07 107.31 3k99 h GLY 137 Ca 0.01 -0.07 0.20 0.00 0.00 0.00 0.00 47.33 47.46 3k99 h GLY 137 CO 0.02 0.06 0.56 -2.75 0.00 0.00 0.00 176.54 174.44 3k99 h PHE 138 N 0.18 0.98 0.00 5.60 3.57 -1.88 -1.63 116.94 123.77 3k99 h PHE 138 Ca 0.08 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3k99 h PHE 138 Cb 0.11 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3k99 h PHE 138 CO -0.00 0.17 0.00 0.66 -2.23 0.00 0.00 178.31 176.91 3k99 n TYR 139 N -4.83 0.00 0.42 0.41 4.01 -1.06 -2.43 117.16 113.68 3k99 n TYR 139 Ca 0.23 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.07 3k99 n TYR 139 Cb 0.59 -0.33 0.42 0.00 -0.31 0.00 0.00 39.34 39.71 3k99 n TYR 139 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3k99 n SER 140 N -1.33 0.42 -0.02 7.72 3.41 -0.61 -2.38 113.62 120.83 3k99 n SER 140 Ca 0.09 0.61 0.16 0.00 -0.26 0.00 0.00 58.87 59.47 3k99 n SER 140 Cb 0.19 -0.70 0.61 0.00 -0.26 0.00 0.00 64.21 64.05 3k99 n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k99 h ALA 141 N 2.34 2.27 0.00 7.33 0.00 -1.67 -1.00 119.26 128.52 3k99 h ALA 141 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k99 h ALA 141 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3k99 h ALA 141 CO 0.00 -0.40 0.00 0.66 0.00 0.00 0.00 179.25 179.51 3k99 n TYR 142 N -4.43 0.00 -0.06 0.00 4.01 -1.00 -0.84 117.16 114.84 3k99 n TYR 142 Ca 0.09 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.80 3k99 n TYR 142 Cb 0.48 -0.01 0.19 0.00 -0.31 0.00 0.00 39.34 39.69 3k99 n TYR 142 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3k99 h LEU 143 N 0.00 0.64 0.00 7.72 3.38 -1.39 -3.37 115.31 122.29 3k99 h LEU 143 Ca 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3k99 h LEU 143 Cb 0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3k99 h LEU 143 CO 0.00 0.76 -1.21 1.33 0.09 0.00 0.00 178.44 179.41 3k99 n VAL 144 N -4.20 0.06 -4.45 1.22 0.24 -0.80 -5.01 118.33 105.39 3k99 n VAL 144 Ca 0.01 -0.11 -0.34 0.00 -2.04 0.00 0.00 64.34 61.86 3k99 n VAL 144 Cb 0.32 0.10 -0.11 0.00 -1.47 0.00 0.00 33.84 32.68 3k99 n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k99 s ALA 145 N -2.25 3.07 -0.11 2.33 0.00 -0.02 -0.37 121.76 124.42 3k99 s ALA 145 Ca -0.02 -0.83 0.15 0.00 0.00 0.00 0.00 51.96 51.26 3k99 s ALA 145 Cb 0.02 -1.45 -0.07 0.00 0.00 0.00 0.00 23.12 21.62 3k99 s ALA 145 CO 0.17 0.41 1.11 1.05 0.00 0.00 0.00 175.76 178.50 3k99 h GLU 146 N 5.91 0.00 -4.48 0.00 4.11 -1.47 -3.39 114.58 115.26 3k99 h GLU 146 Ca -0.41 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.71 3k99 h GLU 146 Cb 1.19 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.18 3k99 h GLU 146 CO 0.58 0.45 -0.75 0.21 0.07 0.00 0.00 179.01 179.57 3k99 s LYS 147 N -2.90 0.50 -0.07 1.06 2.20 -1.17 -4.50 119.74 114.87 3k99 s LYS 147 Ca 0.00 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.16 3k99 s LYS 147 Cb 0.08 -0.39 0.02 0.00 -1.51 0.00 0.00 37.83 36.03 3k99 s LYS 147 CO 0.79 0.09 -0.10 0.08 -0.36 0.00 0.00 175.35 175.85 3k99 s VAL 148 N -0.71 1.00 -0.15 4.02 1.01 -0.75 -0.90 120.40 123.93 3k99 s VAL 148 Ca -0.03 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3k99 s VAL 148 Cb -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3k99 s VAL 148 CO 0.00 0.33 -0.18 -0.89 0.00 0.00 0.00 175.10 174.36 3k99 s THR 149 N 0.84 2.42 -0.25 3.92 2.01 -0.37 -1.91 115.64 122.31 3k99 s THR 149 Ca -0.12 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.01 3k99 s THR 149 Cb -0.15 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.38 3k99 s THR 149 CO 0.02 0.53 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.73 3k99 s VAL 150 N 0.79 2.93 -0.17 3.82 1.01 0.80 0.00 120.40 129.58 3k99 s VAL 150 Ca -0.07 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 3k99 s VAL 150 Cb -0.15 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3k99 s VAL 150 CO -0.00 0.22 -0.00 -0.63 0.00 0.00 0.00 175.10 174.68 3k99 s ILE 151 N 1.34 4.14 0.00 2.22 1.01 -0.05 0.59 121.20 130.46 3k99 s ILE 151 Ca 0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3k99 s ILE 151 Cb -0.16 -2.84 -0.00 0.00 0.01 0.00 0.00 42.46 39.46 3k99 s ILE 151 CO -0.04 0.47 0.08 0.28 0.00 0.00 0.00 174.94 175.73 3k99 s THR 152 N 0.49 0.08 -0.04 2.92 -1.32 -0.11 0.09 115.64 117.74 3k99 s THR 152 Ca -0.01 -0.68 -0.02 0.00 -1.21 0.00 0.00 61.69 59.77 3k99 s THR 152 Cb -0.14 -0.35 0.03 0.00 -1.51 0.00 0.00 72.50 70.54 3k99 s THR 152 CO 0.02 -0.37 0.06 -0.75 -2.21 0.00 0.00 174.62 171.37 3k99 s LYS 153 N -1.24 -0.06 0.10 7.08 2.47 0.82 -1.38 119.74 127.53 3k99 s LYS 153 Ca -0.13 0.35 0.08 0.00 -1.56 0.00 0.00 55.97 54.70 3k99 s LYS 153 Cb -0.08 -0.42 -0.04 0.00 -1.46 0.00 0.00 37.83 35.83 3k99 s LYS 153 CO 0.01 -0.29 -0.14 -1.58 0.16 0.00 0.00 175.35 173.51 3k99 s HIS 154 N 1.89 2.65 0.38 4.03 5.65 -1.26 -0.32 115.29 128.32 3k99 s HIS 154 Ca 0.01 -0.20 -0.27 0.00 0.25 0.00 0.00 55.06 54.85 3k99 s HIS 154 Cb -0.12 -1.41 -0.11 0.00 -1.18 0.00 0.00 32.58 29.76 3k99 s HIS 154 CO -0.03 0.39 1.33 0.09 -0.65 0.00 0.00 174.74 175.87 3k99 n ASN 155 N 0.86 2.92 -0.10 9.88 3.02 -1.26 -2.38 115.26 128.20 3k99 n ASN 155 Ca -0.15 1.17 -0.01 0.00 -0.03 0.00 0.00 54.58 55.56 3k99 n ASN 155 Cb 0.52 -1.52 -0.01 0.00 -0.61 0.00 0.00 39.78 38.17 3k99 n ASN 155 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3k99 n ASP 156 N 0.45 -3.96 -3.97 6.41 10.43 -1.26 -4.98 116.55 119.67 3k99 n ASP 156 Ca 0.05 0.03 -0.14 0.00 2.57 0.00 0.00 54.79 57.30 3k99 n ASP 156 Cb 0.38 -1.57 -0.09 0.00 1.84 0.00 0.00 41.12 41.68 3k99 n ASP 156 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3k99 s ASP 157 N -2.17 0.54 0.77 -2.24 -1.08 -1.00 -5.15 116.67 106.34 3k99 s ASP 157 Ca 0.00 -1.47 -0.10 0.00 -0.52 0.00 0.00 52.55 50.46 3k99 s ASP 157 Cb 0.00 0.44 0.08 0.00 -1.46 0.00 0.00 42.92 41.97 3k99 s ASP 157 CO 0.00 -0.91 1.11 -1.61 0.52 0.00 0.00 175.17 174.28 3k99 s GLU 158 N -3.96 2.01 -0.06 4.34 2.02 -1.26 -4.57 118.70 117.23 3k99 s GLU 158 Ca 0.39 -0.08 -0.27 0.00 0.02 0.00 0.00 54.97 55.03 3k99 s GLU 158 Cb 0.05 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.21 3k99 s GLU 158 CO 0.16 -1.47 0.88 -1.14 0.02 0.00 0.00 175.26 173.71 3k99 s GLN 159 N -5.44 4.46 0.18 1.61 0.74 -1.26 -4.43 119.66 115.52 3k99 s GLN 159 Ca 0.62 1.19 0.09 0.00 0.05 0.00 0.00 55.36 57.31 3k99 s GLN 159 Cb -0.11 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 3k99 s GLN 159 CO 0.47 -0.10 -0.20 0.71 -0.55 0.00 0.00 175.29 175.63 3k99 s TYR 160 N 1.27 1.96 -0.17 1.67 2.02 -0.48 -1.05 117.35 122.57 3k99 s TYR 160 Ca 0.45 -0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 56.71 3k99 s TYR 160 Cb -0.19 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.41 3k99 s TYR 160 CO 0.21 0.40 -0.15 0.00 -1.57 0.00 0.00 175.55 174.44 3k99 s ALA 161 N -2.04 2.48 -0.01 3.71 0.00 0.07 -0.94 121.76 125.04 3k99 s ALA 161 Ca 0.18 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 3k99 s ALA 161 Cb -0.06 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 3k99 s ALA 161 CO 0.08 -0.17 0.19 -0.46 0.00 0.00 0.00 175.76 175.40 3k99 s TRP 162 N 1.03 3.55 -0.22 0.00 -0.00 0.20 -1.84 118.94 121.66 3k99 s TRP 162 Ca -0.01 0.38 -0.21 0.00 -0.00 0.00 0.00 56.10 56.25 3k99 s TRP 162 Cb -0.15 -1.84 0.06 0.00 -0.00 0.00 0.00 33.47 31.54 3k99 s TRP 162 CO -0.04 0.64 0.61 -2.00 -0.00 0.00 0.00 176.95 176.16 3k99 s GLU 163 N -1.92 0.72 -0.22 5.86 2.12 -0.83 -0.14 118.70 124.29 3k99 s GLU 163 Ca 0.27 0.81 -0.21 0.00 0.36 0.00 0.00 54.97 56.20 3k99 s GLU 163 Cb -0.13 0.35 0.06 0.00 0.26 0.00 0.00 34.13 34.67 3k99 s GLU 163 CO 0.18 -0.09 0.60 0.45 -0.54 0.00 0.00 175.26 175.86 3k99 s SER 164 N 0.25 -0.62 -0.32 -1.70 0.15 -0.80 -0.69 113.70 109.97 3k99 s SER 164 Ca -0.01 1.20 0.09 0.00 0.70 0.00 0.00 55.95 57.93 3k99 s SER 164 Cb -0.04 1.21 0.57 0.00 -1.71 0.00 0.00 66.02 66.05 3k99 s SER 164 CO 0.01 -0.22 1.60 -1.20 1.20 0.00 0.00 173.24 174.64 3k99 n SER 165 N 2.72 3.21 0.00 5.45 7.64 -1.26 -1.81 113.62 129.56 3k99 n SER 165 Ca -0.14 -3.58 0.00 0.00 1.01 0.00 0.00 58.87 56.16 3k99 n SER 165 Cb 0.56 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 3k99 n SER 165 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k99 n ALA 166 N -0.95 0.00 -1.00 -0.43 0.00 -1.26 -4.91 120.51 111.96 3k99 n ALA 166 Ca 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.83 3k99 n ALA 166 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.66 3k99 n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k99 n GLY 167 N 0.00 0.37 0.00 0.00 0.00 -1.26 -3.82 105.19 100.48 3k99 n GLY 167 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3k99 n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k99 n GLY 168 N -1.88 0.50 3.21 -0.02 0.00 -1.26 -5.07 105.19 100.67 3k99 n GLY 168 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3k99 n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k99 s SER 169 N -2.18 0.23 0.08 1.61 1.04 -1.25 -0.78 113.70 112.46 3k99 s SER 169 Ca 0.00 -1.09 -0.05 0.00 0.48 0.00 0.00 55.95 55.30 3k99 s SER 169 Cb 0.00 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 3k99 s SER 169 CO 0.00 -0.78 0.09 0.72 0.98 0.00 0.00 173.24 174.26 3k99 s PHE 170 N -4.02 0.41 0.22 5.02 -0.12 -0.03 -4.43 117.98 115.02 3k99 s PHE 170 Ca 0.21 -0.87 0.09 0.00 -0.05 0.00 0.00 56.93 56.31 3k99 s PHE 170 Cb 0.06 -0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 3k99 s PHE 170 CO 0.01 -0.49 -0.04 0.95 -0.05 0.00 0.00 175.22 175.60 3k99 s THR 171 N -3.92 3.40 -0.03 -4.49 -4.23 0.13 -0.26 115.64 106.26 3k99 s THR 171 Ca 0.09 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 58.88 3k99 s THR 171 Cb 0.06 -2.76 0.01 0.00 1.34 0.00 0.00 72.50 71.15 3k99 s THR 171 CO -0.08 -0.24 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.00 3k99 s VAL 172 N -2.01 0.62 0.22 2.29 1.01 0.08 -1.98 120.40 120.63 3k99 s VAL 172 Ca 0.28 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 3k99 s VAL 172 Cb -0.08 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 3k99 s VAL 172 CO 0.18 0.21 0.30 0.00 0.00 0.00 0.00 175.10 175.78 3k99 s ARG 173 N 0.32 1.34 0.51 2.72 1.70 -0.77 -1.57 118.95 123.21 3k99 s ARG 173 Ca -0.04 -1.42 -0.18 0.00 -0.47 0.00 0.00 55.73 53.62 3k99 s ARG 173 Cb -0.09 0.37 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 3k99 s ARG 173 CO 0.00 -0.50 1.01 0.99 -1.08 0.00 0.00 175.30 175.72 3k99 s THR 174 N -4.08 4.14 -0.07 4.99 2.01 -1.26 -0.75 115.64 120.61 3k99 s THR 174 Ca 0.29 1.15 0.01 0.00 0.31 0.00 0.00 61.69 63.45 3k99 s THR 174 Cb 0.03 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 69.02 3k99 s THR 174 CO 0.09 -0.47 -0.10 -0.62 -0.69 0.00 0.00 174.62 172.84 3k99 s ASP 175 N -2.58 1.71 0.00 3.53 2.15 -0.22 -4.62 116.67 116.65 3k99 s ASP 175 Ca 0.63 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.34 3k99 s ASP 175 Cb -0.13 -0.76 0.00 0.00 -0.30 0.00 0.00 42.92 41.73 3k99 s ASP 175 CO 0.27 -0.02 0.62 0.41 -0.17 0.00 0.00 175.17 176.28 3k99 n THR 176 N 4.10 0.37 0.44 1.71 -1.04 -1.26 -4.65 114.28 113.95 3k99 n THR 176 Ca -0.21 -0.44 -0.18 0.00 -2.04 0.00 0.00 64.05 61.18 3k99 n THR 176 Cb 0.51 0.94 -0.09 0.00 -1.82 0.00 0.00 70.33 69.87 3k99 n THR 176 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3k99 h GLY 177 N 0.00 -1.26 -6.96 3.41 0.00 -2.00 -3.42 103.07 92.84 3k99 h GLY 177 Ca 0.00 0.49 -0.43 0.00 0.00 0.00 0.00 47.33 47.40 3k99 h GLY 177 CO 0.00 -0.44 -0.72 1.85 0.00 0.00 0.00 176.54 177.23 3k99 s GLU 178 N -5.64 0.10 0.15 4.80 2.12 -1.26 -5.12 118.70 113.85 3k99 s GLU 178 Ca -0.17 -0.03 -0.31 0.00 0.36 0.00 0.00 54.97 54.81 3k99 s GLU 178 Cb 0.02 -1.62 -0.11 0.00 0.26 0.00 0.00 34.13 32.69 3k99 s GLU 178 CO 0.54 -0.69 1.75 -2.14 -0.54 0.00 0.00 175.26 174.17 3k99 s PRO 179 N 2.19 4.15 -0.01 4.30 0.02 -1.26 -5.00 135.00 139.39 3k99 s PRO 179 Ca 0.04 2.55 -0.13 0.00 0.02 0.00 0.00 61.00 63.47 3k99 s PRO 179 Cb -0.16 -3.36 -0.05 0.00 0.02 0.00 0.00 34.50 30.94 3k99 s PRO 179 CO -0.12 -0.77 0.38 -1.64 -0.33 0.00 0.00 177.00 174.51 3k99 s MET 180 N 2.00 3.84 0.18 5.54 -1.94 -1.26 -4.99 119.30 122.67 3k99 s MET 180 Ca 0.77 0.32 -0.12 0.00 -1.71 0.00 0.00 55.69 54.95 3k99 s MET 180 Cb -0.46 -3.19 0.09 0.00 2.01 0.00 0.00 34.83 33.27 3k99 s MET 180 CO 0.34 0.69 1.79 0.78 -0.01 0.00 0.00 175.02 178.61 3k99 h GLY 181 N 4.63 0.93 -5.62 -0.03 0.00 -1.95 -3.46 103.07 97.57 3k99 h GLY 181 Ca -0.52 -0.43 0.16 0.00 0.00 0.00 0.00 47.33 46.55 3k99 h GLY 181 CO 0.61 0.41 0.78 -1.60 0.00 0.00 0.00 176.54 176.74 3k99 s ARG 182 N -5.83 0.19 0.00 4.80 3.52 -1.26 -4.88 118.95 115.49 3k99 s ARG 182 Ca -0.13 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.66 3k99 s ARG 182 Cb 0.13 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 3k99 s ARG 182 CO 0.78 -0.03 0.00 0.41 -0.81 0.00 0.00 175.30 175.65 3k99 n GLY 183 N 1.56 0.66 2.96 8.12 0.00 0.56 -4.45 105.19 114.60 3k99 n GLY 183 Ca -0.10 -2.10 -0.17 0.00 0.00 0.00 0.00 46.02 43.66 3k99 n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k99 s THR 184 N -1.16 0.47 -0.14 2.61 2.01 -0.89 -0.13 115.64 118.42 3k99 s THR 184 Ca 0.00 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.78 3k99 s THR 184 Cb 0.00 -0.41 0.02 0.00 0.01 0.00 0.00 72.50 72.12 3k99 s THR 184 CO 0.00 0.14 -0.14 -0.75 -0.69 0.00 0.00 174.62 173.18 3k99 s LYS 185 N 0.01 2.23 -0.23 4.92 2.20 0.11 -1.16 119.74 127.83 3k99 s LYS 185 Ca 0.00 -0.54 -0.06 0.00 -0.36 0.00 0.00 55.97 55.01 3k99 s LYS 185 Cb -0.04 -2.02 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 3k99 s LYS 185 CO -0.00 -0.19 0.04 0.08 -0.36 0.00 0.00 175.35 174.92 3k99 s VAL 186 N 1.36 4.16 -0.34 4.02 1.01 0.96 -0.87 120.40 130.71 3k99 s VAL 186 Ca 0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 3k99 s VAL 186 Cb -0.13 -2.92 0.03 0.00 0.00 0.00 0.00 36.38 33.35 3k99 s VAL 186 CO -0.08 0.38 0.12 -0.63 0.00 0.00 0.00 175.10 174.88 3k99 s ILE 187 N 1.39 3.94 -0.38 2.22 1.01 0.10 -0.54 121.20 128.94 3k99 s ILE 187 Ca 0.05 -1.00 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 3k99 s ILE 187 Cb -0.15 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.14 3k99 s ILE 187 CO 0.02 -0.13 0.44 -0.76 0.00 0.00 0.00 174.94 174.51 3k99 s LEU 188 N 1.45 4.60 -0.67 2.97 1.43 -0.20 -1.24 118.68 127.02 3k99 s LEU 188 Ca -0.00 -0.38 -0.26 0.00 -1.03 0.00 0.00 54.13 52.46 3k99 s LEU 188 Cb -0.19 -2.43 0.04 0.00 0.03 0.00 0.00 46.19 43.64 3k99 s LEU 188 CO 0.03 -0.49 1.16 -1.00 0.23 0.00 0.00 176.35 176.28 3k99 s HIS 189 N 2.18 2.49 0.52 0.29 3.76 -0.08 -1.44 115.29 123.03 3k99 s HIS 189 Ca 0.14 -0.04 -0.19 0.00 -0.15 0.00 0.00 55.06 54.82 3k99 s HIS 189 Cb -0.16 -4.47 -0.07 0.00 1.11 0.00 0.00 32.58 28.99 3k99 s HIS 189 CO 0.13 -1.80 1.05 -0.51 -0.85 0.00 0.00 174.74 172.77 3k99 s LEU 190 N 5.01 3.74 0.70 0.89 1.43 -0.70 -1.32 118.68 128.44 3k99 s LEU 190 Ca 0.34 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 55.24 3k99 s LEU 190 Cb -0.10 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.58 3k99 s LEU 190 CO 0.17 -0.93 1.07 -0.54 0.23 0.00 0.00 176.35 176.35 3k99 s LYS 191 N -3.48 2.82 0.43 1.70 1.02 0.50 -4.65 119.74 118.08 3k99 s LYS 191 Ca 0.67 1.02 0.09 0.00 0.02 0.00 0.00 55.97 57.77 3k99 s LYS 191 Cb -0.17 -1.97 0.92 0.00 -0.52 0.00 0.00 37.83 36.09 3k99 s LYS 191 CO 0.25 -1.20 2.07 0.93 -0.92 0.00 0.00 175.35 176.48 3k99 h GLU 192 N -0.71 0.44 -0.29 1.68 5.08 -1.96 -1.82 114.58 116.99 3k99 h GLU 192 Ca -0.44 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3k99 h GLU 192 Cb 1.22 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3k99 h GLU 192 CO 0.56 0.30 0.00 -0.40 -1.00 0.00 0.00 179.01 178.47 3k99 n ASP 193 N -4.48 2.26 -0.63 1.42 5.75 -1.26 -4.03 116.55 115.58 3k99 n ASP 193 Ca 0.02 -1.85 0.06 0.00 -0.01 0.00 0.00 54.79 53.01 3k99 n ASP 193 Cb 0.07 -0.19 0.20 0.00 -1.03 0.00 0.00 41.12 40.17 3k99 n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k99 n GLN 194 N 0.72 2.00 0.00 0.11 1.13 -0.68 -4.73 117.38 115.92 3k99 n GLN 194 Ca 0.16 -2.87 0.10 0.00 -1.94 0.00 0.00 57.00 52.45 3k99 n GLN 194 Cb 0.40 -1.70 0.52 0.00 0.11 0.00 0.00 30.24 29.58 3k99 n GLN 194 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3k99 n THR 195 N -1.02 0.32 0.28 5.09 -2.24 -1.25 -2.97 114.28 112.50 3k99 n THR 195 Ca 0.22 0.08 0.15 0.00 -2.27 0.00 0.00 64.05 62.23 3k99 n THR 195 Cb 0.81 -0.75 0.84 0.00 -2.10 0.00 0.00 70.33 69.13 3k99 n THR 195 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3k99 h GLU 196 N 0.00 0.00 -0.07 -0.78 4.11 -1.93 -1.37 114.58 114.54 3k99 h GLU 196 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3k99 h GLU 196 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3k99 h GLU 196 CO 0.00 0.07 0.00 0.66 0.07 0.00 0.00 179.01 179.81 3k99 n TYR 197 N -3.57 0.09 1.02 2.06 4.01 -1.16 -1.79 117.16 117.82 3k99 n TYR 197 Ca -0.02 -0.05 0.11 0.00 -0.16 0.00 0.00 57.90 57.78 3k99 n TYR 197 Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 3k99 n TYR 197 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3k99 n LEU 198 N -0.34 1.37 -4.71 7.72 4.77 -0.52 -4.81 117.00 120.48 3k99 n LEU 198 Ca 0.07 -0.55 -0.41 0.00 -0.03 0.00 0.00 56.01 55.10 3k99 n LEU 198 Cb 0.09 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3k99 n LEU 198 CO 0.05 0.29 0.50 -1.61 -1.33 0.00 0.00 177.39 175.29 3k99 s GLU 199 N -2.77 4.48 0.20 3.23 0.41 -0.74 -4.85 118.70 118.65 3k99 s GLU 199 Ca 0.13 1.07 -0.11 0.00 -0.41 0.00 0.00 54.97 55.65 3k99 s GLU 199 Cb 0.17 -3.45 0.22 0.00 -1.78 0.00 0.00 34.13 29.29 3k99 s GLU 199 CO 0.72 0.02 1.77 1.49 -0.49 0.00 0.00 175.26 178.76 3k99 h GLU 200 N 6.78 0.45 -0.69 1.61 4.81 -1.92 -0.47 114.58 125.16 3k99 h GLU 200 Ca -0.41 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3k99 h GLU 200 Cb 1.20 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3k99 h GLU 200 CO 0.75 0.30 0.44 -0.09 -0.73 0.00 0.00 179.01 179.68 3k99 h ARG 201 N 0.47 0.92 -0.31 1.92 2.43 -1.94 -1.21 114.38 116.66 3k99 h ARG 201 Ca 0.27 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3k99 h ARG 201 Cb 0.27 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3k99 h ARG 201 CO -0.24 0.63 0.09 -0.09 -1.51 0.00 0.00 179.97 178.85 3k99 h ARG 202 N 0.93 0.48 -0.53 0.20 9.65 -1.51 -2.46 114.38 121.14 3k99 h ARG 202 Ca 0.25 -0.11 -0.04 0.00 -1.10 0.00 0.00 59.98 58.99 3k99 h ARG 202 Cb -0.07 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.42 3k99 h ARG 202 CO -0.05 0.54 0.19 0.82 2.80 0.00 0.00 179.97 184.27 3k99 h ILE 203 N 0.34 1.22 -0.55 1.20 2.04 -0.86 -2.28 117.51 118.62 3k99 h ILE 203 Ca 0.10 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.25 3k99 h ILE 203 Cb 0.26 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3k99 h ILE 203 CO -0.00 0.27 0.36 0.11 0.00 0.00 0.00 178.15 178.89 3k99 h LYS 204 N 0.72 0.70 -0.11 2.37 1.57 -1.13 -1.63 116.57 119.07 3k99 h LYS 204 Ca 0.17 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 3k99 h LYS 204 Cb 0.23 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3k99 h LYS 204 CO -0.01 0.47 -0.53 1.05 -0.57 0.00 0.00 179.45 179.85 3k99 h GLU 205 N 0.73 0.30 -0.40 3.15 4.11 -1.28 0.31 114.58 121.50 3k99 h GLU 205 Ca 0.20 -0.18 -0.13 0.00 0.07 0.00 0.00 59.36 59.32 3k99 h GLU 205 Cb -0.07 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3k99 h GLU 205 CO -0.05 0.76 -0.27 0.82 0.07 0.00 0.00 179.01 180.33 3k99 h ILE 206 N 0.23 1.27 -0.31 -1.06 2.04 -1.16 0.11 117.51 118.64 3k99 h ILE 206 Ca 0.01 -1.42 -0.18 0.00 1.00 0.00 0.00 64.86 64.27 3k99 h ILE 206 Cb 1.01 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 3k99 h ILE 206 CO 0.09 0.48 -0.51 0.58 0.00 0.00 0.00 178.15 178.78 3k99 h VAL 207 N 0.72 1.28 -0.80 1.67 2.07 -1.05 -1.29 116.25 118.84 3k99 h VAL 207 Ca 0.09 -1.69 0.02 0.00 0.82 0.00 0.00 66.70 65.93 3k99 h VAL 207 Cb 0.82 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 3k99 h VAL 207 CO 0.07 0.55 0.53 0.11 0.02 0.00 0.00 177.57 178.85 3k99 h LYS 208 N 0.68 1.03 -0.02 1.57 1.79 -0.82 -0.74 116.57 120.06 3k99 h LYS 208 Ca 0.03 -0.06 -0.18 0.00 -2.18 0.00 0.00 60.65 58.26 3k99 h LYS 208 Cb 1.11 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 3k99 h LYS 208 CO 0.11 0.68 -0.78 -0.22 -1.08 0.00 0.00 179.45 178.16 3k99 h LYS 209 N 1.06 0.17 0.00 3.15 3.64 -0.53 -3.40 116.57 120.67 3k99 h LYS 209 Ca 0.30 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3k99 h LYS 209 Cb -0.08 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3k99 h LYS 209 CO -0.08 0.87 -0.45 0.72 -2.27 0.00 0.00 179.45 178.23 3k99 n HIS 210 N -3.71 0.00 -1.93 1.91 8.25 -0.51 -4.83 115.22 114.40 3k99 n HIS 210 Ca -0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.41 3k99 n HIS 210 Cb 0.74 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.97 3k99 n HIS 210 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3k99 n SER 211 N -0.82 2.44 0.21 0.41 7.64 -0.29 -4.77 113.62 118.44 3k99 n SER 211 Ca 0.00 -3.46 0.08 0.00 1.01 0.00 0.00 58.87 56.50 3k99 n SER 211 Cb 0.00 -0.44 0.36 0.00 -1.01 0.00 0.00 64.21 63.12 3k99 n SER 211 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3k99 h GLN 212 N 1.42 0.00 -0.02 1.43 7.50 -1.76 -3.01 115.11 120.67 3k99 h GLN 212 Ca 0.05 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.20 3k99 h GLN 212 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.82 3k99 h GLN 212 CO 0.23 0.27 0.00 1.19 -1.50 0.00 0.00 178.83 179.02 3k99 n PHE 213 N -3.36 0.01 -2.43 2.96 3.72 -1.26 -4.89 117.46 112.21 3k99 n PHE 213 Ca 0.01 -0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3k99 n PHE 213 Cb 0.49 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 3k99 n PHE 213 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3k99 s ILE 214 N -1.99 4.15 -0.38 4.37 -1.09 -1.14 -4.92 121.20 120.20 3k99 s ILE 214 Ca 0.41 1.51 0.04 0.00 -2.23 0.00 0.00 60.65 60.38 3k99 s ILE 214 Cb 0.21 -3.97 0.59 0.00 -1.58 0.00 0.00 42.46 37.70 3k99 s ILE 214 CO 0.34 0.05 1.76 0.61 -1.23 0.00 0.00 174.94 176.46 3k99 n GLY 215 N 3.32 3.98 3.19 6.18 0.00 -1.26 -4.87 105.19 115.73 3k99 n GLY 215 Ca 0.10 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 3k99 n GLY 215 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k99 s TYR 216 N -2.78 1.20 0.23 1.61 2.02 -1.26 -5.12 117.35 113.25 3k99 s TYR 216 Ca 0.48 -0.55 -0.32 0.00 -0.37 0.00 0.00 57.07 56.31 3k99 s TYR 216 Cb 0.40 -0.65 -0.13 0.00 -0.40 0.00 0.00 41.96 41.18 3k99 s TYR 216 CO 0.10 0.06 1.57 -2.30 -1.57 0.00 0.00 175.55 173.41 3k99 n PRO 217 N 0.83 2.41 -4.08 -1.71 -0.02 -1.26 -4.85 135.00 126.32 3k99 n PRO 217 Ca -0.18 0.86 -0.33 0.00 -2.02 0.00 0.00 63.50 61.84 3k99 n PRO 217 Cb 0.56 -2.63 -0.15 0.00 -0.02 0.00 0.00 33.50 31.26 3k99 n PRO 217 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3k99 s ILE 218 N 0.49 2.24 -0.07 4.25 1.01 -1.26 -1.14 121.20 126.72 3k99 s ILE 218 Ca 0.71 -1.12 0.05 0.00 0.00 0.00 0.00 60.65 60.29 3k99 s ILE 218 Cb -0.58 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 3k99 s ILE 218 CO 0.42 0.34 -0.24 -0.89 0.00 0.00 0.00 174.94 174.58 3k99 s THR 219 N 1.25 1.98 -0.09 2.92 2.01 -0.18 -5.01 115.64 118.52 3k99 s THR 219 Ca 0.01 -1.01 -0.19 0.00 0.31 0.00 0.00 61.69 60.81 3k99 s THR 219 Cb -0.15 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 3k99 s THR 219 CO -0.09 0.55 0.54 -0.22 -0.69 0.00 0.00 174.62 174.70 3k99 s LEU 220 N 0.06 4.31 -0.30 4.42 2.96 -1.26 -1.00 118.68 127.87 3k99 s LEU 220 Ca -0.09 0.95 0.03 0.00 -0.22 0.00 0.00 54.13 54.79 3k99 s LEU 220 Cb -0.15 -2.80 0.08 0.00 0.50 0.00 0.00 46.19 43.82 3k99 s LEU 220 CO 0.05 0.00 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.72 3k99 s PHE 221 N 0.47 3.28 -0.36 5.38 0.08 -0.08 -4.95 117.98 121.80 3k99 s PHE 221 Ca 0.29 -2.54 -0.29 0.00 0.12 0.00 0.00 56.93 54.51 3k99 s PHE 221 Cb -0.16 -2.35 0.02 0.00 -0.57 0.00 0.00 43.02 39.96 3k99 s PHE 221 CO 0.13 -0.90 1.08 0.08 -0.10 0.00 0.00 175.22 175.51 3k99 s VAL 222 N 1.08 4.45 -0.20 -0.44 1.01 -1.26 -3.81 120.40 121.23 3k99 s VAL 222 Ca 0.02 1.61 -0.12 0.00 0.00 0.00 0.00 61.98 63.49 3k99 s VAL 222 Cb -0.19 -4.45 -0.05 0.00 0.00 0.00 0.00 36.38 31.69 3k99 s VAL 222 CO -0.08 -0.60 0.21 -0.70 0.00 0.00 0.00 175.10 173.94 3k99 s GLU 223 N 3.82 4.17 -0.16 2.72 2.12 -0.78 -5.03 118.70 125.55 3k99 s GLU 223 Ca 0.46 -0.10 -0.05 0.00 0.36 0.00 0.00 54.97 55.64 3k99 s GLU 223 Cb -0.11 -3.48 0.06 0.00 0.26 0.00 0.00 34.13 30.86 3k99 s GLU 223 CO 0.19 0.16 0.08 0.15 -0.54 0.00 0.00 175.26 175.30 3k99 s LYS 224 N 0.74 0.08 0.12 4.30 3.01 -1.26 -4.24 119.74 122.48 3k99 s LYS 224 Ca 0.11 -0.05 -0.31 0.00 -1.01 0.00 0.00 55.97 54.72 3k99 s LYS 224 Cb -0.13 -1.71 -0.07 0.00 -1.01 0.00 0.00 37.83 34.92 3k99 s LYS 224 CO 0.03 -0.63 1.26 -1.83 0.51 0.00 0.00 175.35 174.68 3k99 s GLU 225 N 2.13 4.42 0.00 1.68 1.03 -1.26 -5.19 118.70 121.51 3k99 s GLU 225 Ca 0.02 1.90 0.27 0.00 0.03 0.00 0.00 54.97 57.19 3k99 s GLU 225 Cb -0.16 -3.28 0.91 0.00 -0.80 0.00 0.00 34.13 30.80 3k99 s GLU 225 CO -0.08 -0.26 1.66 1.28 -1.33 0.00 0.00 175.26 176.53