#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cv3 s VAL 17 N 0.00 4.48 -0.90 2.52 1.01 0.07 -3.99 120.40 123.60 2cv3 s VAL 17 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.62 2cv3 s VAL 17 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2cv3 s VAL 17 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2cv3 n GLY 18 N 1.78 0.20 4.01 4.51 0.00 -1.25 -2.25 105.19 112.19 2cv3 n GLY 18 Ca -0.05 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 2cv3 n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cv3 s GLY 19 N -2.62 1.74 0.11 -0.02 0.00 -1.26 -4.81 107.32 100.46 2cv3 s GLY 19 Ca 0.00 -1.92 0.05 0.00 0.00 0.00 0.00 44.72 42.85 2cv3 s GLY 19 CO 0.00 -1.35 -0.14 -0.51 0.00 0.00 0.00 173.10 171.11 2cv3 s THR 20 N -3.05 1.24 0.11 0.90 -4.23 -0.02 -4.90 115.64 105.69 2cv3 s THR 20 Ca 0.66 -1.62 -0.31 0.00 -1.18 0.00 0.00 61.69 59.24 2cv3 s THR 20 Cb -0.05 -1.42 -0.08 0.00 1.34 0.00 0.00 72.50 72.30 2cv3 s THR 20 CO 0.44 -0.39 1.47 -0.70 -0.54 0.00 0.00 174.62 174.90 2cv3 s GLU 21 N -2.49 4.27 0.55 3.99 2.12 -1.26 -0.88 118.70 125.00 2cv3 s GLU 21 Ca 0.06 2.17 -0.17 0.00 0.36 0.00 0.00 54.97 57.40 2cv3 s GLU 21 Cb -0.06 -3.31 -0.06 0.00 0.26 0.00 0.00 34.13 30.96 2cv3 s GLU 21 CO 0.02 -0.54 1.03 0.00 -0.54 0.00 0.00 175.26 175.23 2cv3 s ALA 22 N 1.48 2.87 0.52 6.30 0.00 0.00 -4.86 121.76 128.07 2cv3 s ALA 22 Ca 0.67 0.36 -0.19 0.00 0.00 0.00 0.00 51.96 52.80 2cv3 s ALA 22 Cb -0.38 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 2cv3 s ALA 22 CO 0.30 -0.52 1.04 -1.14 0.00 0.00 0.00 175.76 175.45 2cv3 s GLN 23 N -3.91 3.66 0.54 0.00 0.74 -1.26 -4.88 119.66 114.54 2cv3 s GLN 23 Ca 0.63 1.31 0.29 0.00 0.05 0.00 0.00 55.36 57.64 2cv3 s GLN 23 Cb -0.14 -2.08 1.45 0.00 1.10 0.00 0.00 33.01 33.35 2cv3 s GLN 23 CO 0.32 -0.55 1.93 0.00 -0.55 0.00 0.00 175.29 176.44 2cv3 h ARG 24 N 1.21 0.00 -0.17 1.67 3.08 -1.98 -2.91 114.38 115.29 2cv3 h ARG 24 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2cv3 h ARG 24 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2cv3 h ARG 24 CO 0.59 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.76 2cv3 n ASN 25 N -4.26 2.99 0.07 7.04 6.94 -1.26 -4.66 115.26 122.12 2cv3 n ASN 25 Ca 0.14 -2.66 -0.10 0.00 -0.02 0.00 0.00 54.58 51.95 2cv3 n ASN 25 Cb 0.81 -0.36 -0.00 0.00 -2.36 0.00 0.00 39.78 37.86 2cv3 n ASN 25 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2cv3 h SER 26 N 1.11 0.39 -2.05 0.53 0.02 -1.84 -3.39 113.55 108.32 2cv3 h SER 26 Ca 0.00 -0.29 -0.53 0.00 -0.84 0.00 0.00 61.79 60.12 2cv3 h SER 26 Cb 1.03 -0.12 -0.40 0.00 0.14 0.00 0.00 62.40 63.05 2cv3 h SER 26 CO 0.08 1.07 -1.04 0.79 -1.14 0.00 0.00 176.83 176.59 2cv3 n TRP 27 N -3.74 0.82 0.15 3.45 7.02 -1.26 -4.95 117.44 118.93 2cv3 n TRP 27 Ca -0.05 -3.79 0.09 0.00 -1.02 0.00 0.00 57.50 52.74 2cv3 n TRP 27 Cb 0.78 -0.42 0.49 0.00 -2.42 0.00 0.00 31.31 29.74 2cv3 n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2cv3 n PRO 28 N 0.65 0.12 0.05 -0.99 -0.04 -1.26 -1.82 135.00 131.71 2cv3 n PRO 28 Ca 0.25 0.60 0.12 0.00 -0.04 0.00 0.00 63.50 64.43 2cv3 n PRO 28 Cb 0.56 -1.88 0.22 0.00 -0.04 0.00 0.00 33.50 32.36 2cv3 n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cv3 n SER 29 N -2.13 0.66 -4.73 3.54 3.41 -1.21 -1.95 113.62 111.22 2cv3 n SER 29 Ca -0.01 0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 58.31 2cv3 n SER 29 Cb 0.04 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 2cv3 n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2cv3 s GLN 30 N -3.13 4.22 0.29 4.33 2.00 -0.76 -0.52 119.66 126.09 2cv3 s GLN 30 Ca 0.07 2.38 0.06 0.00 -2.00 0.00 0.00 55.36 55.87 2cv3 s GLN 30 Cb 0.14 -3.13 -0.06 0.00 0.80 0.00 0.00 33.01 30.76 2cv3 s GLN 30 CO 0.70 -0.57 -0.03 0.96 -0.50 0.00 0.00 175.29 175.85 2cv3 s ILE 31 N 0.81 1.55 -0.20 -2.34 -5.25 -0.32 -4.57 121.20 110.88 2cv3 s ILE 31 Ca 0.67 -2.09 -0.03 0.00 -0.99 0.00 0.00 60.65 58.22 2cv3 s ILE 31 Cb -0.44 -2.54 -0.01 0.00 2.95 0.00 0.00 42.46 42.43 2cv3 s ILE 31 CO 0.35 -0.23 -0.07 -0.55 -1.79 0.00 0.00 174.94 172.65 2cv3 s SER 32 N -3.46 4.15 -0.25 4.36 0.15 -0.79 -2.50 113.70 115.36 2cv3 s SER 32 Ca 0.31 -0.40 -0.15 0.00 0.70 0.00 0.00 55.95 56.42 2cv3 s SER 32 Cb 0.05 -1.69 -0.04 0.00 -1.71 0.00 0.00 66.02 62.63 2cv3 s SER 32 CO 0.13 0.02 0.37 -0.22 1.20 0.00 0.00 173.24 174.74 2cv3 s LEU 33 N 1.21 4.07 0.18 3.45 2.96 0.20 -0.96 118.68 129.80 2cv3 s LEU 33 Ca 0.02 0.33 0.10 0.00 -0.22 0.00 0.00 54.13 54.37 2cv3 s LEU 33 Cb -0.14 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 2cv3 s LEU 33 CO -0.03 -0.15 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.53 2cv3 s GLN 34 N 1.86 1.44 0.17 1.98 -0.21 -0.45 -1.17 119.66 123.27 2cv3 s GLN 34 Ca 0.15 -1.48 0.09 0.00 0.02 0.00 0.00 55.36 54.14 2cv3 s GLN 34 Cb -0.15 -1.68 -0.04 0.00 1.00 0.00 0.00 33.01 32.13 2cv3 s GLN 34 CO 0.09 0.36 -0.19 1.52 -2.12 0.00 0.00 175.29 174.95 2cv3 s TYR 35 N -1.76 1.85 0.09 0.91 1.13 -0.36 -0.95 117.35 118.26 2cv3 s TYR 35 Ca 0.19 -0.46 -0.31 0.00 -1.41 0.00 0.00 57.07 55.08 2cv3 s TYR 35 Cb -0.07 -0.93 -0.08 0.00 -1.10 0.00 0.00 41.96 39.79 2cv3 s TYR 35 CO 0.09 0.34 1.42 1.03 -2.51 0.00 0.00 175.55 175.92 2cv3 s ARG 36 N -2.76 4.30 -0.06 -3.49 1.81 -0.68 -0.57 118.95 117.49 2cv3 s ARG 36 Ca 0.16 2.09 -0.02 0.00 -1.72 0.00 0.00 55.73 56.23 2cv3 s ARG 36 Cb -0.06 -3.34 0.04 0.00 -0.45 0.00 0.00 34.95 31.14 2cv3 s ARG 36 CO 0.07 -0.50 0.10 0.45 -0.68 0.00 0.00 175.30 174.74 2cv3 s SER 37 N 1.37 0.93 1.82 0.23 0.15 0.74 -4.81 113.70 114.13 2cv3 s SER 37 Ca 0.65 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.48 2cv3 s SER 37 Cb -0.36 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 2cv3 s SER 37 CO 0.30 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2cv3 n GLY 38 N 5.25 3.57 1.17 9.45 0.00 -1.26 -0.26 105.19 123.11 2cv3 n GLY 38 Ca -0.05 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.01 2cv3 n GLY 38 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cv3 n SER 39 N 4.91 3.41 -0.24 1.61 7.64 -1.26 -4.97 113.62 124.71 2cv3 n SER 39 Ca 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.90 2cv3 n SER 39 Cb 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 2cv3 n SER 39 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cv3 n SER 40 N 1.39 1.14 -4.34 6.43 2.88 0.64 -5.16 113.62 116.59 2cv3 n SER 40 Ca 0.21 -0.15 -0.30 0.00 -1.33 0.00 0.00 58.87 57.30 2cv3 n SER 40 Cb 0.56 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.87 2cv3 n SER 40 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2cv3 s TRP 41 N -0.10 2.31 -0.06 0.66 0.52 -1.26 -0.18 118.94 120.82 2cv3 s TRP 41 Ca 0.00 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 55.73 2cv3 s TRP 41 Cb 0.00 -1.38 0.01 0.00 -1.15 0.00 0.00 33.47 30.95 2cv3 s TRP 41 CO 0.00 0.13 -0.12 0.00 0.02 0.00 0.00 176.95 176.98 2cv3 s ALA 42 N -0.81 1.22 0.26 0.98 0.00 0.26 -4.86 121.76 118.80 2cv3 s ALA 42 Ca 0.12 -0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 2cv3 s ALA 42 Cb -0.10 -0.55 -0.10 0.00 0.00 0.00 0.00 23.12 22.37 2cv3 s ALA 42 CO 0.02 0.12 1.44 -1.58 0.00 0.00 0.00 175.76 175.76 2cv3 s HIS 43 N 0.63 2.99 0.00 0.00 2.46 -1.26 -1.22 115.29 118.89 2cv3 s HIS 43 Ca -0.14 1.04 0.00 0.00 0.47 0.00 0.00 55.06 56.43 2cv3 s HIS 43 Cb -0.15 -3.83 0.00 0.00 -0.13 0.00 0.00 32.58 28.46 2cv3 s HIS 43 CO 0.03 -2.68 0.00 -2.37 -2.47 0.00 0.00 174.74 167.25 2cv3 n THR 44 N 2.15 0.00 -3.84 0.89 5.66 -0.32 -4.91 114.28 113.91 2cv3 n THR 44 Ca 0.06 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.97 2cv3 n THR 44 Cb 0.40 -0.21 -0.04 0.00 -1.55 0.00 0.00 70.33 68.93 2cv3 n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cv3 n GLY 46 N -0.36 1.98 3.75 0.00 0.00 0.17 -0.63 105.19 110.10 2cv3 n GLY 46 Ca -0.07 -2.20 -0.02 0.00 0.00 0.00 0.00 46.02 43.73 2cv3 n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cv3 s GLY 47 N -3.91 -0.22 -0.11 -0.02 0.00 -1.04 -3.62 107.32 98.39 2cv3 s GLY 47 Ca 0.44 0.21 0.02 0.00 0.00 0.00 0.00 44.72 45.39 2cv3 s GLY 47 CO 0.28 0.65 -0.16 -1.59 0.00 0.00 0.00 173.10 172.28 2cv3 s THR 48 N -2.80 1.55 -0.04 0.90 2.01 0.10 -1.17 115.64 116.19 2cv3 s THR 48 Ca 0.15 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 2cv3 s THR 48 Cb 0.00 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 2cv3 s THR 48 CO 0.01 0.45 1.32 -0.22 -0.69 0.00 0.00 174.62 175.49 2cv3 s LEU 49 N 0.98 4.29 -0.00 4.42 2.96 0.33 -0.38 118.68 131.27 2cv3 s LEU 49 Ca -0.06 1.96 0.03 0.00 -0.22 0.00 0.00 54.13 55.84 2cv3 s LEU 49 Cb -0.15 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2cv3 s LEU 49 CO -0.02 -0.68 0.12 2.30 -1.32 0.00 0.00 176.35 176.74 2cv3 n ILE 50 N 4.77 0.00 -3.91 6.68 -5.35 -0.38 -0.03 119.36 121.13 2cv3 n ILE 50 Ca 0.13 -0.28 -0.09 0.00 -0.27 0.00 0.00 62.75 62.23 2cv3 n ILE 50 Cb 0.45 0.77 -0.09 0.00 -1.74 0.00 0.00 39.64 39.03 2cv3 n ILE 50 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2cv3 s ARG 51 N -1.68 0.66 0.54 6.28 6.06 -1.08 -4.76 118.95 124.96 2cv3 s ARG 51 Ca 0.00 -0.80 0.28 0.00 -2.50 0.00 0.00 55.73 52.71 2cv3 s ARG 51 Cb 0.02 0.26 1.51 0.00 0.06 0.00 0.00 34.95 36.81 2cv3 s ARG 51 CO 0.14 -0.18 1.83 1.96 -2.50 0.00 0.00 175.30 176.55 2cv3 h GLN 52 N 3.42 0.00 0.00 5.12 4.20 -1.95 -2.25 115.11 123.65 2cv3 h GLN 52 Ca -0.33 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.30 2cv3 h GLN 52 Cb 1.19 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.78 2cv3 h GLN 52 CO 0.52 0.00 -0.75 0.27 -0.67 0.00 0.00 178.83 178.20 2cv3 n ASN 53 N -2.65 1.35 -3.77 1.46 2.04 -1.26 -0.79 115.26 111.65 2cv3 n ASN 53 Ca -0.02 -2.96 -0.13 0.00 -0.44 0.00 0.00 54.58 51.04 2cv3 n ASN 53 Cb 0.26 -0.41 -0.13 0.00 -2.53 0.00 0.00 39.78 36.97 2cv3 n ASN 53 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 2cv3 s TRP 54 N -1.64 -0.24 -0.01 -2.53 0.52 -0.85 -1.06 118.94 113.13 2cv3 s TRP 54 Ca 0.35 0.60 0.07 0.00 0.02 0.00 0.00 56.10 57.15 2cv3 s TRP 54 Cb 0.37 0.04 -0.02 0.00 -1.15 0.00 0.00 33.47 32.71 2cv3 s TRP 54 CO -0.12 -0.16 -0.24 0.08 0.02 0.00 0.00 176.95 176.54 2cv3 s VAL 55 N 0.67 1.89 -0.16 4.03 1.01 0.49 -1.25 120.40 127.07 2cv3 s VAL 55 Ca -0.05 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 2cv3 s VAL 55 Cb -0.06 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2cv3 s VAL 55 CO -0.04 0.51 0.05 -0.32 0.00 0.00 0.00 175.10 175.30 2cv3 s MET 56 N -0.64 3.76 0.05 2.72 1.75 0.49 -0.00 119.30 127.43 2cv3 s MET 56 Ca 0.09 -0.34 -0.00 0.00 -1.25 0.00 0.00 55.69 54.19 2cv3 s MET 56 Cb -0.09 -3.13 0.00 0.00 2.84 0.00 0.00 34.83 34.45 2cv3 s MET 56 CO -0.01 0.39 0.07 -2.37 -0.65 0.00 0.00 175.02 172.45 2cv3 n THR 57 N 3.17 0.00 -3.14 10.11 5.66 -0.33 -0.72 114.28 129.03 2cv3 n THR 57 Ca -0.17 -0.28 -0.38 0.00 -3.05 0.00 0.00 64.05 60.17 2cv3 n THR 57 Cb 0.53 0.16 -0.06 0.00 -1.55 0.00 0.00 70.33 69.41 2cv3 n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cv3 s ALA 58 N -1.80 3.51 0.35 1.79 0.00 -1.26 -0.84 121.76 123.50 2cv3 s ALA 58 Ca 0.05 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.21 2cv3 s ALA 58 Cb -0.00 -2.78 0.67 0.00 0.00 0.00 0.00 23.12 21.01 2cv3 s ALA 58 CO 0.03 0.35 1.97 0.00 0.00 0.00 0.00 175.76 178.12 2cv3 h ALA 59 N 4.24 1.61 0.00 0.00 0.00 -1.68 -2.21 119.26 121.23 2cv3 h ALA 59 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2cv3 h ALA 59 Cb 1.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2cv3 h ALA 59 CO 0.65 0.31 0.00 -2.39 0.00 0.00 0.00 179.25 177.81 2cv3 n HIS 60 N -4.46 0.24 0.15 0.00 1.44 -1.26 -1.43 115.22 109.89 2cv3 n HIS 60 Ca 0.09 0.09 0.05 0.00 -2.01 0.00 0.00 57.72 55.95 2cv3 n HIS 60 Cb 0.14 -0.65 0.06 0.00 0.12 0.00 0.00 29.99 29.66 2cv3 n HIS 60 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2cv3 n VAL 62 N -3.14 1.08 0.26 0.00 0.24 -0.52 -4.78 118.33 111.47 2cv3 n VAL 62 Ca 0.02 -1.27 0.10 0.00 -2.04 0.00 0.00 64.34 61.15 2cv3 n VAL 62 Cb 0.67 0.18 0.49 0.00 -1.47 0.00 0.00 33.84 33.72 2cv3 n VAL 62 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2cv3 n ASP 63 N -0.78 0.53 0.00 -1.34 4.64 -0.79 -4.82 116.55 113.99 2cv3 n ASP 63 Ca 0.08 0.69 0.00 0.00 -1.38 0.00 0.00 54.79 54.18 2cv3 n ASP 63 Cb 0.58 -0.78 0.00 0.00 -1.04 0.00 0.00 41.12 39.88 2cv3 n ASP 63 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2cv3 n ARG 64 N -2.16 3.46 -0.32 -0.67 5.12 -1.26 -5.06 116.66 115.76 2cv3 n ARG 64 Ca 0.00 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.00 2cv3 n ARG 64 Cb 0.12 0.00 0.18 0.00 -1.16 0.00 0.00 32.46 31.60 2cv3 n ARG 64 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2cv3 n GLU 65 N 0.00 1.69 -1.68 5.56 -0.58 -1.26 -5.06 120.64 119.31 2cv3 n GLU 65 Ca 0.00 -2.84 -0.30 0.00 -0.42 0.00 0.00 57.16 53.59 2cv3 n GLU 65 Cb 0.00 -1.62 0.06 0.00 -0.57 0.00 0.00 31.44 29.32 2cv3 n GLU 65 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2cv3 s LEU 66 N -2.99 2.84 -0.24 -4.62 1.02 -1.26 -5.05 118.68 108.38 2cv3 s LEU 66 Ca 0.36 1.32 -0.11 0.00 0.02 0.00 0.00 54.13 55.72 2cv3 s LEU 66 Cb 0.32 -4.07 -0.05 0.00 0.02 0.00 0.00 46.19 42.41 2cv3 s LEU 66 CO 0.02 -1.60 0.21 -0.89 0.02 0.00 0.00 176.35 174.10 2cv3 s THR 67 N -3.20 5.32 0.12 5.49 2.01 -1.26 -5.03 115.64 119.10 2cv3 s THR 67 Ca 0.59 0.27 0.10 0.00 0.31 0.00 0.00 61.69 62.95 2cv3 s THR 67 Cb -0.13 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2cv3 s THR 67 CO 0.54 0.31 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.21 2cv3 s PHE 68 N 1.24 2.47 0.06 4.92 0.08 -1.26 -1.69 117.98 123.80 2cv3 s PHE 68 Ca 0.09 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.87 2cv3 s PHE 68 Cb -0.14 -1.31 -0.03 0.00 -0.57 0.00 0.00 43.02 40.97 2cv3 s PHE 68 CO 0.06 0.38 -0.08 -0.98 -0.10 0.00 0.00 175.22 174.50 2cv3 s ARG 69 N -2.14 0.65 -0.07 0.44 1.70 -0.13 -3.11 118.95 116.28 2cv3 s ARG 69 Ca 0.17 -0.97 0.01 0.00 -0.47 0.00 0.00 55.73 54.47 2cv3 s ARG 69 Cb -0.10 -0.28 -0.03 0.00 -0.57 0.00 0.00 34.95 33.97 2cv3 s ARG 69 CO 0.09 0.03 -0.09 0.08 -1.08 0.00 0.00 175.30 174.33 2cv3 s VAL 70 N -2.16 3.48 -0.18 4.99 1.01 0.91 -1.34 120.40 127.10 2cv3 s VAL 70 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2cv3 s VAL 70 Cb -0.05 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.93 2cv3 s VAL 70 CO -0.01 0.58 -0.17 -0.69 0.00 0.00 0.00 175.10 174.80 2cv3 s VAL 71 N -0.60 2.29 0.32 2.92 1.01 -0.13 -1.32 120.40 124.89 2cv3 s VAL 71 Ca 0.09 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.28 2cv3 s VAL 71 Cb -0.12 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2cv3 s VAL 71 CO 0.02 0.52 0.28 0.68 0.00 0.00 0.00 175.10 176.59 2cv3 s VAL 72 N 1.27 3.75 -1.70 2.92 -7.23 -0.49 -1.88 120.40 117.04 2cv3 s VAL 72 Ca 0.04 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2cv3 s VAL 72 Cb -0.13 -3.24 0.00 0.00 0.56 0.00 0.00 36.38 33.56 2cv3 s VAL 72 CO -0.10 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 2cv3 n GLY 73 N -1.34 0.78 3.79 2.32 0.00 -1.24 -1.58 105.19 107.92 2cv3 n GLY 73 Ca -0.03 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 2cv3 n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cv3 s GLU 74 N -4.13 4.06 0.02 1.61 2.56 -1.26 -2.95 118.70 118.61 2cv3 s GLU 74 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.97 55.26 2cv3 s GLU 74 Cb 0.00 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.81 2cv3 s GLU 74 CO 0.00 0.47 0.00 1.58 -0.56 0.00 0.00 175.26 176.75 2cv3 n HIS 75 N 2.68 -0.08 -3.85 5.30 -0.00 -1.26 -4.92 115.22 113.09 2cv3 n HIS 75 Ca -0.12 0.01 -0.36 0.00 -0.00 0.00 0.00 57.72 57.25 2cv3 n HIS 75 Cb 0.52 0.11 -0.13 0.00 -0.00 0.00 0.00 29.99 30.49 2cv3 n HIS 75 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2cv3 s ASN 76 N -5.11 4.60 0.49 0.26 3.84 -1.26 -1.32 114.94 116.43 2cv3 s ASN 76 Ca 0.00 -0.40 0.26 0.00 0.21 0.00 0.00 52.86 52.93 2cv3 s ASN 76 Cb 0.00 -1.80 1.26 0.00 -0.55 0.00 0.00 41.25 40.16 2cv3 s ASN 76 CO 0.00 -0.05 1.98 -0.07 -2.79 0.00 0.00 177.10 176.17 2cv3 h LEU 77 N 8.15 0.00 -2.94 3.21 3.38 -1.24 -3.00 115.31 122.87 2cv3 h LEU 77 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2cv3 h LEU 77 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2cv3 h LEU 77 CO 0.60 0.16 0.00 0.59 0.09 0.00 0.00 178.44 179.88 2cv3 n ASN 78 N -3.53 3.44 -3.84 -0.43 4.13 -1.26 -4.99 115.26 108.78 2cv3 n ASN 78 Ca -0.01 -2.18 -0.12 0.00 1.68 0.00 0.00 54.58 53.95 2cv3 n ASN 78 Cb 0.31 -0.36 -0.09 0.00 -1.54 0.00 0.00 39.78 38.10 2cv3 n ASN 78 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2cv3 s GLN 79 N -1.33 0.56 -0.28 3.52 -0.21 -1.14 -5.11 119.66 115.67 2cv3 s GLN 79 Ca 0.33 -0.37 -0.29 0.00 0.02 0.00 0.00 55.36 55.06 2cv3 s GLN 79 Cb 0.20 0.24 -0.01 0.00 1.00 0.00 0.00 33.01 34.44 2cv3 s GLN 79 CO 0.19 -0.14 1.42 1.21 -2.12 0.00 0.00 175.29 175.85 2cv3 s ASN 80 N -1.45 6.53 0.21 5.90 3.84 -1.26 -4.59 114.94 124.13 2cv3 s ASN 80 Ca -0.13 1.32 0.24 0.00 0.21 0.00 0.00 52.86 54.50 2cv3 s ASN 80 Cb -0.06 -2.54 0.39 0.00 -0.55 0.00 0.00 41.25 38.49 2cv3 s ASN 80 CO 0.02 -1.18 1.43 0.44 -2.79 0.00 0.00 177.10 175.02 2cv3 h ASP 81 N 9.94 0.00 -0.05 -4.21 5.19 -1.93 -3.47 116.42 121.89 2cv3 h ASP 81 Ca -0.29 -0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.01 2cv3 h ASP 81 Cb 1.12 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 2cv3 h ASP 81 CO 1.03 0.04 -0.02 0.61 -3.12 0.00 0.00 179.24 177.78 2cv3 n GLY 82 N 1.26 0.49 0.00 2.75 0.00 -1.26 -4.84 105.19 103.59 2cv3 n GLY 82 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2cv3 n GLY 82 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cv3 n THR 83 N -2.87 0.00 -2.53 2.61 -2.24 -1.26 -5.12 114.28 102.87 2cv3 n THR 83 Ca -0.01 -0.21 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 2cv3 n THR 83 Cb 0.08 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 2cv3 n THR 83 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2cv3 s GLU 84 N -0.27 3.82 -0.04 -0.78 8.01 -1.15 -4.50 118.70 123.79 2cv3 s GLU 84 Ca 0.00 1.40 0.04 0.00 0.01 0.00 0.00 54.97 56.42 2cv3 s GLU 84 Cb 0.00 -2.15 -0.00 0.00 -4.31 0.00 0.00 34.13 27.67 2cv3 s GLU 84 CO 0.00 -0.42 -0.16 -0.65 0.01 0.00 0.00 175.26 174.04 2cv3 s GLN 85 N -3.14 1.73 -0.11 1.61 -0.21 -0.61 -4.99 119.66 113.94 2cv3 s GLN 85 Ca 0.66 -0.58 -0.01 0.00 0.02 0.00 0.00 55.36 55.46 2cv3 s GLN 85 Cb -0.18 -1.50 -0.03 0.00 1.00 0.00 0.00 33.01 32.31 2cv3 s GLN 85 CO 0.21 0.22 -0.07 0.71 -2.12 0.00 0.00 175.29 174.24 2cv3 s TYR 86 N 0.09 2.95 -0.11 0.91 1.51 -1.26 -1.40 117.35 120.04 2cv3 s TYR 86 Ca -0.05 -0.20 -0.10 0.00 -1.01 0.00 0.00 57.07 55.71 2cv3 s TYR 86 Cb -0.12 -1.82 0.03 0.00 -0.11 0.00 0.00 41.96 39.94 2cv3 s TYR 86 CO 0.02 0.11 0.29 0.08 -1.11 0.00 0.00 175.55 174.94 2cv3 s VAL 87 N -0.19 -0.00 0.76 0.71 1.01 -0.44 -4.98 120.40 117.27 2cv3 s VAL 87 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 2cv3 s VAL 87 Cb -0.13 -0.41 0.05 0.00 0.00 0.00 0.00 36.38 35.88 2cv3 s VAL 87 CO 0.03 0.00 1.08 -0.83 0.00 0.00 0.00 175.10 175.38 2cv3 s GLY 88 N 0.19 1.64 -0.37 4.51 0.00 -1.26 -0.07 107.32 111.96 2cv3 s GLY 88 Ca -0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 44.72 44.49 2cv3 s GLY 88 CO 0.00 0.28 0.21 0.14 0.00 0.00 0.00 173.10 173.73 2cv3 s VAL 89 N -3.12 4.73 0.04 1.40 1.01 -1.18 -0.75 120.40 122.54 2cv3 s VAL 89 Ca 0.60 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 2cv3 s VAL 89 Cb -0.14 -3.58 -0.28 0.00 0.00 0.00 0.00 36.38 32.37 2cv3 s VAL 89 CO 0.54 -0.18 1.02 -0.61 0.00 0.00 0.00 175.10 175.88 2cv3 h GLN 90 N 8.45 0.26 -3.24 2.72 4.15 -1.11 -3.46 115.11 122.88 2cv3 h GLN 90 Ca -0.27 -0.45 -0.15 0.00 0.77 0.00 0.00 58.65 58.54 2cv3 h GLN 90 Cb 1.12 0.17 -0.23 0.00 0.21 0.00 0.00 27.48 28.74 2cv3 h GLN 90 CO 0.67 1.17 -0.43 0.21 -1.93 0.00 0.00 178.83 178.52 2cv3 s LYS 91 N -2.64 0.40 -0.10 1.69 2.20 -1.12 -5.01 119.74 115.16 2cv3 s LYS 91 Ca -0.06 0.04 0.03 0.00 -0.36 0.00 0.00 55.97 55.63 2cv3 s LYS 91 Cb 0.07 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 2cv3 s LYS 91 CO 0.87 -0.08 -0.21 0.42 -0.36 0.00 0.00 175.35 175.99 2cv3 s ILE 92 N -0.53 1.88 -0.33 5.43 1.01 -1.26 -0.93 121.20 126.47 2cv3 s ILE 92 Ca -0.06 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 2cv3 s ILE 92 Cb -0.04 -1.65 0.07 0.00 0.01 0.00 0.00 42.46 40.86 2cv3 s ILE 92 CO 0.01 0.52 0.06 -0.69 0.00 0.00 0.00 174.94 174.84 2cv3 s VAL 93 N 0.51 2.93 0.27 2.92 1.01 0.06 -4.99 120.40 123.11 2cv3 s VAL 93 Ca -0.16 -1.73 -0.09 0.00 0.00 0.00 0.00 61.98 60.01 2cv3 s VAL 93 Cb -0.17 -2.84 -0.07 0.00 0.00 0.00 0.00 36.38 33.30 2cv3 s VAL 93 CO 0.06 -0.34 0.58 -0.69 0.00 0.00 0.00 175.10 174.71 2cv3 s VAL 94 N 1.16 4.93 0.17 2.92 1.01 -1.26 -0.83 120.40 128.50 2cv3 s VAL 94 Ca 0.01 0.39 -0.33 0.00 0.00 0.00 0.00 61.98 62.04 2cv3 s VAL 94 Cb -0.21 -3.66 -0.13 0.00 0.00 0.00 0.00 36.38 32.38 2cv3 s VAL 94 CO -0.03 -0.19 1.66 1.57 0.00 0.00 0.00 175.10 178.10 2cv3 n HIS 95 N -0.49 2.48 0.09 5.22 -0.00 -0.90 -4.84 115.22 116.78 2cv3 n HIS 95 Ca 0.00 0.15 0.18 0.00 0.46 0.00 0.00 57.72 58.51 2cv3 n HIS 95 Cb 0.53 -2.61 0.73 0.00 -0.12 0.00 0.00 29.99 28.52 2cv3 n HIS 95 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2cv3 h PRO 96 N 6.50 0.00 -0.01 1.57 0.11 -1.93 -1.90 132.00 136.34 2cv3 h PRO 96 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2cv3 h PRO 96 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2cv3 h PRO 96 CO 0.92 0.00 -0.04 0.66 -0.21 0.00 0.00 178.00 179.32 2cv3 n TYR 97 N -4.15 0.00 -1.84 0.65 4.02 -1.26 -4.93 117.16 109.66 2cv3 n TYR 97 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.53 2cv3 n TYR 97 Cb 0.49 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.75 2cv3 n TYR 97 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 2cv3 s TRP 98 N -2.11 2.93 -0.27 -0.72 -0.11 -0.72 -4.90 118.94 113.04 2cv3 s TRP 98 Ca 0.37 0.61 0.02 0.00 1.22 0.00 0.00 56.10 58.32 2cv3 s TRP 98 Cb 0.21 -4.02 0.07 0.00 -1.50 0.00 0.00 33.47 28.22 2cv3 s TRP 98 CO 0.38 -3.69 -0.06 1.21 -4.62 0.00 0.00 176.95 170.17 2cv3 s ASN 99 N 0.92 4.32 0.59 5.86 3.84 -1.26 -4.99 114.94 124.21 2cv3 s ASN 99 Ca 0.69 -1.46 0.29 0.00 0.21 0.00 0.00 52.86 52.59 2cv3 s ASN 99 Cb -0.47 -1.43 1.69 0.00 -0.55 0.00 0.00 41.25 40.49 2cv3 s ASN 99 CO 0.37 -0.24 2.13 0.74 -2.79 0.00 0.00 177.10 177.31 2cv3 h THR 100 N 6.71 0.48 -0.01 -5.21 2.02 -1.97 -0.20 112.91 114.73 2cv3 h THR 100 Ca -0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.02 2cv3 h THR 100 Cb 1.05 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2cv3 h THR 100 CO 0.46 0.00 -0.08 0.47 0.37 0.00 0.00 175.52 176.73 2cv3 n ASP 101 N -3.81 0.63 -3.12 4.18 8.00 -1.26 -4.43 116.55 116.74 2cv3 n ASP 101 Ca 0.01 -0.84 -0.18 0.00 0.71 0.00 0.00 54.79 54.48 2cv3 n ASP 101 Cb 0.28 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 2cv3 n ASP 101 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2cv3 n ASP 102 N -0.72 -1.45 0.27 -2.24 2.03 -0.09 -4.95 116.55 109.40 2cv3 n ASP 102 Ca 0.17 -2.66 0.14 0.00 0.52 0.00 0.00 54.79 52.95 2cv3 n ASP 102 Cb 0.27 0.30 0.78 0.00 -0.72 0.00 0.00 41.12 41.76 2cv3 n ASP 102 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2cv3 h VAL 103 N 4.16 0.54 0.00 5.18 3.04 -1.77 -2.03 116.25 125.36 2cv3 h VAL 103 Ca 0.14 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 2cv3 h VAL 103 Cb 0.97 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 2cv3 h VAL 103 CO 0.28 0.09 0.00 0.00 -1.01 0.00 0.00 177.57 176.93 2cv3 n ALA 104 N -2.28 1.69 0.42 3.17 0.00 -1.26 -1.95 120.51 120.30 2cv3 n ALA 104 Ca -0.02 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.51 2cv3 n ALA 104 Cb 0.20 -1.26 0.37 0.00 0.00 0.00 0.00 19.45 18.76 2cv3 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cv3 h ALA 105 N 2.50 1.00 0.00 0.00 0.00 -1.67 -3.43 119.26 117.66 2cv3 h ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cv3 h ALA 105 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2cv3 h ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2cv3 n GLY 106 N 0.92 -1.53 2.43 0.00 0.00 -0.82 -4.99 105.19 101.19 2cv3 n GLY 106 Ca 0.04 -1.98 -0.19 0.00 0.00 0.00 0.00 46.02 43.88 2cv3 n GLY 106 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2cv3 n TYR 107 N 0.00 -0.81 -2.53 1.61 4.01 -1.26 -4.59 117.16 113.59 2cv3 n TYR 107 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 2cv3 n TYR 107 Cb 0.00 -3.64 0.00 0.00 -0.31 0.00 0.00 39.34 35.39 2cv3 n TYR 107 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2cv3 n ASP 108 N -1.77 4.87 -3.62 7.72 4.64 -1.26 -4.34 116.55 122.79 2cv3 n ASP 108 Ca -0.22 -2.94 -0.16 0.00 -1.38 0.00 0.00 54.79 50.09 2cv3 n ASP 108 Cb 0.66 -1.66 -0.07 0.00 -1.04 0.00 0.00 41.12 39.02 2cv3 n ASP 108 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 2cv3 s ILE 109 N 2.90 0.01 0.03 5.18 2.07 -1.26 -3.82 121.20 126.31 2cv3 s ILE 109 Ca 0.48 -0.11 -0.15 0.00 -1.41 0.00 0.00 60.65 59.46 2cv3 s ILE 109 Cb 0.04 -0.86 0.02 0.00 0.13 0.00 0.00 42.46 41.80 2cv3 s ILE 109 CO 0.02 -0.06 0.32 0.00 -1.91 0.00 0.00 174.94 173.31 2cv3 s ALA 110 N -0.79 -0.75 -0.06 1.50 0.00 -0.02 -2.11 121.76 119.53 2cv3 s ALA 110 Ca -0.08 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2cv3 s ALA 110 Cb -0.02 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 2cv3 s ALA 110 CO 0.06 -0.39 -0.21 -0.51 0.00 0.00 0.00 175.76 174.70 2cv3 s LEU 111 N -1.93 2.29 -0.20 0.00 1.43 -0.01 -1.18 118.68 119.08 2cv3 s LEU 111 Ca -0.06 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2cv3 s LEU 111 Cb -0.02 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.76 2cv3 s LEU 111 CO -0.02 0.27 -0.10 -0.76 0.23 0.00 0.00 176.35 175.98 2cv3 s LEU 112 N -0.30 2.68 -0.28 1.79 1.43 1.00 -0.76 118.68 124.24 2cv3 s LEU 112 Ca 0.01 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 2cv3 s LEU 112 Cb -0.13 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 2cv3 s LEU 112 CO 0.03 0.01 0.63 -0.60 0.23 0.00 0.00 176.35 176.65 2cv3 s ARG 113 N 1.25 4.00 0.37 1.70 3.52 -0.10 -0.38 118.95 129.31 2cv3 s ARG 113 Ca 0.03 0.41 -0.25 0.00 -0.13 0.00 0.00 55.73 55.79 2cv3 s ARG 113 Cb -0.14 -3.69 -0.09 0.00 -1.56 0.00 0.00 34.95 29.46 2cv3 s ARG 113 CO -0.04 -0.50 1.01 -0.51 -0.81 0.00 0.00 175.30 174.45 2cv3 s LEU 114 N 2.56 4.20 0.45 -0.88 1.43 -0.23 -0.58 118.68 125.64 2cv3 s LEU 114 Ca 0.26 1.96 0.11 0.00 -1.03 0.00 0.00 54.13 55.42 2cv3 s LEU 114 Cb -0.15 -4.13 1.02 0.00 0.03 0.00 0.00 46.19 42.95 2cv3 s LEU 114 CO 0.10 -0.33 2.09 0.00 0.23 0.00 0.00 176.35 178.44 2cv3 h ALA 115 N 2.72 1.82 -2.52 4.21 0.00 -1.27 -3.43 119.26 120.78 2cv3 h ALA 115 Ca -0.48 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.21 2cv3 h ALA 115 Cb 1.20 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.72 2cv3 h ALA 115 CO 0.63 0.17 -0.70 -0.65 0.00 0.00 0.00 179.25 178.70 2cv3 s GLN 116 N -5.32 0.66 0.26 0.00 1.11 -1.26 -5.03 119.66 110.09 2cv3 s GLN 116 Ca -0.07 -1.11 -0.30 0.00 0.01 0.00 0.00 55.36 53.90 2cv3 s GLN 116 Cb 0.17 -0.10 -0.09 0.00 -1.01 0.00 0.00 33.01 31.98 2cv3 s GLN 116 CO 0.71 -0.03 1.09 -1.12 0.01 0.00 0.00 175.29 175.95 2cv3 s SER 117 N -2.52 7.29 0.56 5.90 0.01 -1.26 -4.75 113.70 118.94 2cv3 s SER 117 Ca 0.03 2.22 -0.05 0.00 1.31 0.00 0.00 55.95 59.46 2cv3 s SER 117 Cb 0.01 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2cv3 s SER 117 CO -0.04 -0.13 0.87 0.68 0.41 0.00 0.00 173.24 175.02 2cv3 s VAL 118 N -1.01 3.84 -0.15 3.43 -7.23 0.03 -4.98 120.40 114.33 2cv3 s VAL 118 Ca 0.45 -0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 60.49 2cv3 s VAL 118 Cb -0.31 -3.50 -0.05 0.00 0.56 0.00 0.00 36.38 33.08 2cv3 s VAL 118 CO 0.39 -0.50 0.23 -0.89 -0.31 0.00 0.00 175.10 174.02 2cv3 s THR 119 N -2.92 5.35 0.23 5.32 2.01 -1.26 -4.86 115.64 119.51 2cv3 s THR 119 Ca 0.53 0.41 -0.16 0.00 0.31 0.00 0.00 61.69 62.78 2cv3 s THR 119 Cb -0.10 -3.55 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 2cv3 s THR 119 CO 0.44 0.45 0.67 -0.76 -0.69 0.00 0.00 174.62 174.73 2cv3 s LEU 120 N 0.09 4.24 0.00 4.42 1.43 -1.26 -4.79 118.68 122.80 2cv3 s LEU 120 Ca 0.14 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 2cv3 s LEU 120 Cb -0.13 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2cv3 s LEU 120 CO 0.03 -0.03 0.00 -0.46 0.23 0.00 0.00 176.35 176.12 2cv3 n ASN 121 N 0.33 0.00 0.10 2.29 0.23 -0.42 -4.95 115.26 112.84 2cv3 n ASN 121 Ca -0.01 -0.39 0.11 0.00 -0.53 0.00 0.00 54.58 53.76 2cv3 n ASN 121 Cb 0.52 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.67 2cv3 n ASN 121 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2cv3 n SER 122 N -0.31 0.53 0.00 0.53 3.41 -1.26 -2.19 113.62 114.34 2cv3 n SER 122 Ca 0.00 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 2cv3 n SER 122 Cb 0.00 -0.74 -0.08 0.00 -0.26 0.00 0.00 64.21 63.13 2cv3 n SER 122 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2cv3 n TYR 123 N -2.08 0.07 -3.75 7.33 4.01 -1.26 -4.68 117.16 116.79 2cv3 n TYR 123 Ca 0.03 0.02 -0.29 0.00 -0.16 0.00 0.00 57.90 57.50 2cv3 n TYR 123 Cb 0.22 -0.24 -0.16 0.00 -0.31 0.00 0.00 39.34 38.86 2cv3 n TYR 123 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2cv3 s VAL 124 N -3.17 0.69 0.09 -0.72 1.01 -0.93 -3.66 120.40 113.72 2cv3 s VAL 124 Ca 0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2cv3 s VAL 124 Cb 0.15 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2cv3 s VAL 124 CO 0.85 -0.35 0.05 -1.10 0.00 0.00 0.00 175.10 174.55 2cv3 s GLN 125 N 1.76 0.80 0.26 2.72 -1.52 -0.82 -1.30 119.66 121.56 2cv3 s GLN 125 Ca 0.02 -1.28 -0.30 0.00 -1.95 0.00 0.00 55.36 51.86 2cv3 s GLN 125 Cb -0.17 0.25 -0.09 0.00 -0.22 0.00 0.00 33.01 32.77 2cv3 s GLN 125 CO -0.14 -0.21 1.03 -0.51 -0.25 0.00 0.00 175.29 175.21 2cv3 s LEU 126 N -2.97 4.59 0.25 2.90 1.43 -1.26 -3.30 118.68 120.33 2cv3 s LEU 126 Ca 0.14 2.13 -0.30 0.00 -1.03 0.00 0.00 54.13 55.07 2cv3 s LEU 126 Cb 0.07 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.57 2cv3 s LEU 126 CO -0.05 -0.01 1.04 -0.83 0.23 0.00 0.00 176.35 176.73 2cv3 s GLY 127 N -1.02 3.06 0.03 -3.19 0.00 0.95 -4.82 107.32 102.33 2cv3 s GLY 127 Ca 0.43 0.79 -0.25 0.00 0.00 0.00 0.00 44.72 45.69 2cv3 s GLY 127 CO 0.37 1.41 0.75 -1.34 0.00 0.00 0.00 173.10 174.29 2cv3 s VAL 128 N -1.04 4.78 0.07 1.40 -7.23 -1.26 -4.81 120.40 112.31 2cv3 s VAL 128 Ca 0.44 1.60 -0.06 0.00 -1.81 0.00 0.00 61.98 62.14 2cv3 s VAL 128 Cb -0.29 -4.10 -0.05 0.00 0.56 0.00 0.00 36.38 32.49 2cv3 s VAL 128 CO 0.37 0.35 0.33 -0.76 -0.31 0.00 0.00 175.10 175.08 2cv3 s LEU 129 N 0.05 4.33 0.93 1.32 1.43 -1.26 -0.72 118.68 124.76 2cv3 s LEU 129 Ca 0.38 0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 53.97 2cv3 s LEU 129 Cb -0.20 -2.98 0.15 0.00 0.03 0.00 0.00 46.19 43.19 2cv3 s LEU 129 CO 0.22 0.16 1.10 -2.16 0.23 0.00 0.00 176.35 175.91 2cv3 s PRO 130 N -2.15 0.98 0.41 1.29 0.04 -1.26 -4.91 135.00 129.41 2cv3 s PRO 130 Ca 0.34 0.54 -0.24 0.00 0.04 0.00 0.00 61.00 61.68 2cv3 s PRO 130 Cb -0.13 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 2cv3 s PRO 130 CO 0.20 -2.36 1.08 0.50 0.04 0.00 0.00 177.00 176.46 2cv3 s ARG 131 N -5.06 4.09 0.25 4.56 3.52 -1.26 -4.86 118.95 120.18 2cv3 s ARG 131 Ca 0.64 1.57 -0.31 0.00 -0.13 0.00 0.00 55.73 57.51 2cv3 s ARG 131 Cb -0.17 -2.52 -0.14 0.00 -1.56 0.00 0.00 34.95 30.56 2cv3 s ARG 131 CO 0.56 -0.22 1.28 0.00 -0.81 0.00 0.00 175.30 176.10 2cv3 n ALA 132 N -0.14 0.50 -0.32 6.12 0.00 -1.26 -2.17 120.51 123.24 2cv3 n ALA 132 Ca 0.05 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2cv3 n ALA 132 Cb 0.49 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2cv3 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cv3 n GLY 133 N 1.80 1.55 3.69 0.00 0.00 -0.41 -5.01 105.19 106.81 2cv3 n GLY 133 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2cv3 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cv3 s THR 134 N -3.03 3.24 -0.15 2.61 2.01 -0.92 -5.00 115.64 114.39 2cv3 s THR 134 Ca 0.00 0.68 0.01 0.00 0.31 0.00 0.00 61.69 62.70 2cv3 s THR 134 Cb 0.00 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 69.09 2cv3 s THR 134 CO 0.00 0.00 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.12 2cv3 s ILE 135 N 2.48 1.84 0.39 1.82 -1.09 -1.26 -4.75 121.20 120.62 2cv3 s ILE 135 Ca 0.70 -0.82 -0.24 0.00 -2.23 0.00 0.00 60.65 58.06 2cv3 s ILE 135 Cb -0.37 -1.67 -0.09 0.00 -1.58 0.00 0.00 42.46 38.74 2cv3 s ILE 135 CO 0.30 0.51 1.01 -0.76 -1.23 0.00 0.00 174.94 174.77 2cv3 s LEU 136 N 1.17 4.14 0.71 2.97 1.43 -1.26 -5.03 118.68 122.81 2cv3 s LEU 136 Ca -0.00 1.95 -0.16 0.00 -1.03 0.00 0.00 54.13 54.89 2cv3 s LEU 136 Cb -0.14 -4.21 0.03 0.00 0.03 0.00 0.00 46.19 41.90 2cv3 s LEU 136 CO -0.08 -0.40 1.21 0.00 0.23 0.00 0.00 176.35 177.31 2cv3 s ALA 137 N -1.73 2.19 0.63 4.21 0.00 -1.26 -4.84 121.76 120.96 2cv3 s ALA 137 Ca 0.57 0.90 -0.18 0.00 0.00 0.00 0.00 51.96 53.26 2cv3 s ALA 137 Cb -0.19 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 2cv3 s ALA 137 CO 0.25 -1.76 0.83 -1.71 0.00 0.00 0.00 175.76 173.36 2cv3 n ASN 138 N -2.54 0.13 -2.43 0.00 5.15 -1.26 -2.53 115.26 111.78 2cv3 n ASN 138 Ca 0.13 0.74 -0.20 0.00 -0.60 0.00 0.00 54.58 54.66 2cv3 n ASN 138 Cb 0.50 -1.33 -0.01 0.00 -0.53 0.00 0.00 39.78 38.41 2cv3 n ASN 138 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2cv3 n ASN 139 N -0.64 -5.59 -4.77 1.20 5.15 0.06 -4.94 115.26 105.72 2cv3 n ASN 139 Ca 0.13 0.01 -0.39 0.00 -0.60 0.00 0.00 54.58 53.73 2cv3 n ASN 139 Cb 0.48 -4.66 -0.04 0.00 -0.53 0.00 0.00 39.78 35.03 2cv3 n ASN 139 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2cv3 s SER 140 N -2.07 6.93 -0.12 1.20 0.01 -1.05 -4.65 113.70 113.94 2cv3 s SER 140 Ca 0.01 2.25 -0.29 0.00 1.31 0.00 0.00 55.95 59.22 2cv3 s SER 140 Cb -0.01 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 2cv3 s SER 140 CO 0.01 -0.38 1.38 -2.16 0.41 0.00 0.00 173.24 172.50 2cv3 s PRO 141 N -1.94 4.22 0.14 12.44 0.04 -1.26 -1.57 135.00 147.07 2cv3 s PRO 141 Ca 0.51 1.83 -0.06 0.00 0.04 0.00 0.00 61.00 63.32 2cv3 s PRO 141 Cb -0.29 -3.82 -0.02 0.00 0.04 0.00 0.00 34.50 30.41 2cv3 s PRO 141 CO 0.37 -0.74 0.17 0.00 0.04 0.00 0.00 177.00 176.85 2cv3 s TYR 143 N -3.99 1.01 -0.02 0.00 2.02 0.17 -0.74 117.35 115.81 2cv3 s TYR 143 Ca 0.18 -0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 56.51 2cv3 s TYR 143 Cb 0.05 -0.72 -0.05 0.00 -0.40 0.00 0.00 41.96 40.84 2cv3 s TYR 143 CO -0.01 -0.11 0.33 -1.50 -1.57 0.00 0.00 175.55 172.68 2cv3 s ILE 144 N 0.23 5.18 0.08 2.71 2.07 -0.47 -0.63 121.20 130.37 2cv3 s ILE 144 Ca -0.04 0.55 0.06 0.00 -1.41 0.00 0.00 60.65 59.81 2cv3 s ILE 144 Cb -0.09 -3.61 -0.03 0.00 0.13 0.00 0.00 42.46 38.86 2cv3 s ILE 144 CO 0.01 0.52 -0.16 0.42 -1.91 0.00 0.00 174.94 173.82 2cv3 s THR 145 N -1.14 1.27 0.00 4.00 -4.23 -1.22 -1.58 115.64 112.74 2cv3 s THR 145 Ca 0.24 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 2cv3 s THR 145 Cb -0.15 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.47 2cv3 s THR 145 CO 0.12 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 2cv3 n GLY 146 N 1.16 1.15 1.03 3.99 0.00 -0.59 -4.54 105.19 107.38 2cv3 n GLY 146 Ca -0.20 -1.09 0.09 0.00 0.00 0.00 0.00 46.02 44.82 2cv3 n GLY 146 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2cv3 n TRP 147 N -0.79 0.74 -0.42 1.61 8.01 -1.26 -1.72 117.44 123.61 2cv3 n TRP 147 Ca 0.00 -0.50 -0.29 0.00 -1.31 0.00 0.00 57.50 55.41 2cv3 n TRP 147 Cb 0.00 -0.01 0.27 0.00 -2.01 0.00 0.00 31.31 29.55 2cv3 n TRP 147 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2cv3 n GLY 148 N 1.14 -2.63 3.53 6.99 0.00 -1.25 -0.88 105.19 112.09 2cv3 n GLY 148 Ca 0.19 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 2cv3 n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cv3 n LEU 149 N -4.94 1.29 -0.05 0.99 4.77 0.10 -2.00 117.00 117.17 2cv3 n LEU 149 Ca 0.05 0.99 0.12 0.00 -0.03 0.00 0.00 56.01 57.14 2cv3 n LEU 149 Cb 0.56 -1.23 0.22 0.00 -2.33 0.00 0.00 43.42 40.63 2cv3 n LEU 149 CO 0.53 -2.14 0.42 0.35 -1.33 0.00 0.00 177.39 175.21 2cv3 n THR 150 N -0.60 0.00 -3.79 -5.08 -2.24 -0.65 -1.69 114.28 100.24 2cv3 n THR 150 Ca 0.11 -0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 2cv3 n THR 150 Cb 0.38 0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 68.94 2cv3 n THR 150 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2cv3 s ARG 151 N -2.91 0.88 0.28 -0.78 0.52 -1.26 -4.12 118.95 111.56 2cv3 s ARG 151 Ca 0.13 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.23 2cv3 s ARG 151 Cb 0.18 0.37 -0.10 0.00 0.52 0.00 0.00 34.95 35.91 2cv3 s ARG 151 CO 0.69 -0.30 1.47 0.99 0.02 0.00 0.00 175.30 178.17 2cv3 s THR 152 N -3.58 2.48 -2.02 0.02 2.01 -1.26 -1.30 115.64 111.99 2cv3 s THR 152 Ca 0.02 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2cv3 s THR 152 Cb 0.03 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.27 2cv3 s THR 152 CO -0.10 0.07 0.00 0.59 -0.69 0.00 0.00 174.62 174.49 2cv3 n ASN 153 N 2.02 -5.57 0.00 3.53 3.02 -1.26 -4.97 115.26 112.03 2cv3 n ASN 153 Ca 0.06 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 2cv3 n ASN 153 Cb 0.40 -4.76 0.00 0.00 -0.61 0.00 0.00 39.78 34.80 2cv3 n ASN 153 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cv3 n GLY 154 N -0.66 2.24 3.34 7.41 0.00 -0.42 -5.14 105.19 111.96 2cv3 n GLY 154 Ca -0.22 -1.80 -0.21 0.00 0.00 0.00 0.00 46.02 43.79 2cv3 n GLY 154 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2cv3 s GLN 155 N 4.48 1.31 0.72 1.61 -2.07 -1.26 -4.91 119.66 119.54 2cv3 s GLN 155 Ca 0.00 -1.47 -0.16 0.00 -1.82 0.00 0.00 55.36 51.91 2cv3 s GLN 155 Cb 0.00 -1.31 0.02 0.00 -1.09 0.00 0.00 33.01 30.63 2cv3 s GLN 155 CO 0.00 0.25 1.11 1.28 -1.32 0.00 0.00 175.29 176.61 2cv3 n LEU 156 N 0.08 4.42 -4.82 2.60 4.77 -1.26 -1.64 117.00 121.14 2cv3 n LEU 156 Ca -0.11 0.70 -0.33 0.00 -0.03 0.00 0.00 56.01 56.24 2cv3 n LEU 156 Cb 0.58 -1.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.15 2cv3 n LEU 156 CO 0.31 -1.67 0.68 0.00 -1.33 0.00 0.00 177.39 175.38 2cv3 s ALA 157 N -1.75 3.01 0.01 -1.18 0.00 -0.06 -4.81 121.76 116.98 2cv3 s ALA 157 Ca 0.76 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.99 2cv3 s ALA 157 Cb -0.35 -3.16 -0.30 0.00 0.00 0.00 0.00 23.12 19.32 2cv3 s ALA 157 CO 0.47 -0.14 0.89 1.96 0.00 0.00 0.00 175.76 178.94 2cv3 h GLN 158 N 1.35 0.33 -6.47 0.00 4.20 -1.94 -3.46 115.11 109.13 2cv3 h GLN 158 Ca -0.48 -0.56 -0.66 0.00 0.06 0.00 0.00 58.65 57.02 2cv3 h GLN 158 Cb 1.19 0.21 -0.14 0.00 0.30 0.00 0.00 27.48 29.04 2cv3 h GLN 158 CO 0.61 1.22 -0.71 0.95 -0.67 0.00 0.00 178.83 180.23 2cv3 s THR 159 N -2.61 3.63 0.16 -0.54 -4.23 -1.26 -0.72 115.64 110.07 2cv3 s THR 159 Ca -0.10 -1.18 -0.34 0.00 -1.18 0.00 0.00 61.69 58.90 2cv3 s THR 159 Cb 0.06 -2.72 -0.14 0.00 1.34 0.00 0.00 72.50 71.04 2cv3 s THR 159 CO 0.87 0.10 1.58 -0.11 -0.54 0.00 0.00 174.62 176.52 2cv3 n LEU 160 N 0.60 3.06 -4.69 4.79 7.94 -0.44 -4.81 117.00 123.46 2cv3 n LEU 160 Ca -0.12 1.08 -0.23 0.00 -1.11 0.00 0.00 56.01 55.63 2cv3 n LEU 160 Cb 0.52 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 42.99 2cv3 n LEU 160 CO 0.36 -0.31 -0.29 -1.10 -1.11 0.00 0.00 177.39 174.94 2cv3 s GLN 161 N 0.95 2.45 0.03 1.96 -1.52 -0.70 -0.82 119.66 122.01 2cv3 s GLN 161 Ca 0.79 -1.28 -0.01 0.00 -1.95 0.00 0.00 55.36 52.91 2cv3 s GLN 161 Cb -0.69 -2.29 -0.02 0.00 -0.22 0.00 0.00 33.01 29.79 2cv3 s GLN 161 CO 0.38 0.39 -0.01 1.14 -0.25 0.00 0.00 175.29 176.94 2cv3 s GLN 162 N -3.57 0.42 -0.15 2.91 -2.07 -0.06 -1.55 119.66 115.60 2cv3 s GLN 162 Ca 0.31 -0.78 -0.11 0.00 -1.82 0.00 0.00 55.36 52.96 2cv3 s GLN 162 Cb -0.07 0.15 0.05 0.00 -1.09 0.00 0.00 33.01 32.05 2cv3 s GLN 162 CO 0.21 -0.08 0.39 0.00 -1.32 0.00 0.00 175.29 174.49 2cv3 s ALA 163 N -2.22 -0.96 -0.05 2.60 0.00 -0.61 -0.84 121.76 119.67 2cv3 s ALA 163 Ca -0.09 1.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.86 2cv3 s ALA 163 Cb -0.04 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 2cv3 s ALA 163 CO -0.04 -0.22 1.51 -0.47 0.00 0.00 0.00 175.76 176.54 2cv3 s TYR 164 N 0.84 2.43 -0.35 0.00 5.04 -1.26 -1.37 117.35 122.68 2cv3 s TYR 164 Ca -0.05 0.53 -0.00 0.00 -2.44 0.00 0.00 57.07 55.11 2cv3 s TYR 164 Cb -0.06 -3.77 0.12 0.00 0.35 0.00 0.00 41.96 38.60 2cv3 s TYR 164 CO -0.06 -3.05 0.17 -0.51 -1.34 0.00 0.00 175.55 170.76 2cv3 s LEU 165 N 3.35 1.76 0.46 6.97 1.02 0.08 -4.95 118.68 127.36 2cv3 s LEU 165 Ca 0.67 -1.99 -0.23 0.00 0.02 0.00 0.00 54.13 52.60 2cv3 s LEU 165 Cb -0.31 -0.71 -0.07 0.00 0.02 0.00 0.00 46.19 45.12 2cv3 s LEU 165 CO 0.26 -0.35 1.18 -2.16 0.02 0.00 0.00 176.35 175.30 2cv3 s PRO 166 N 1.21 3.76 0.74 1.29 0.04 -1.26 -3.74 135.00 137.06 2cv3 s PRO 166 Ca 0.14 1.82 -0.13 0.00 0.04 0.00 0.00 61.00 62.86 2cv3 s PRO 166 Cb -0.21 -2.44 0.05 0.00 0.04 0.00 0.00 34.50 31.94 2cv3 s PRO 166 CO -0.13 -0.56 1.14 0.95 0.04 0.00 0.00 177.00 178.44 2cv3 s THR 167 N -1.51 2.80 -0.23 1.26 -4.23 -0.61 -0.59 115.64 112.53 2cv3 s THR 167 Ca 0.63 0.33 0.01 0.00 -1.18 0.00 0.00 61.69 61.48 2cv3 s THR 167 Cb -0.30 -2.78 0.06 0.00 1.34 0.00 0.00 72.50 70.82 2cv3 s THR 167 CO 0.36 -0.27 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.43 2cv3 s VAL 168 N -2.40 1.57 1.01 2.29 1.01 0.07 -0.76 120.40 123.20 2cv3 s VAL 168 Ca 0.68 -1.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 2cv3 s VAL 168 Cb -0.23 -1.81 0.20 0.00 0.00 0.00 0.00 36.38 34.54 2cv3 s VAL 168 CO 0.48 -0.07 1.09 1.51 0.00 0.00 0.00 175.10 178.11 2cv3 s ASP 169 N 1.38 2.21 0.25 3.32 1.47 -1.26 -4.17 116.67 119.88 2cv3 s ASP 169 Ca -0.06 1.78 -0.03 0.00 1.18 0.00 0.00 52.55 55.43 2cv3 s ASP 169 Cb -0.19 -2.39 0.49 0.00 -0.34 0.00 0.00 42.92 40.49 2cv3 s ASP 169 CO -0.06 -3.47 1.76 0.22 0.68 0.00 0.00 175.17 174.29 2cv3 h TYR 170 N -2.12 0.70 -0.72 2.11 3.20 -1.93 0.26 116.97 118.47 2cv3 h TYR 170 Ca -0.52 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.44 2cv3 h TYR 170 Cb 1.30 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.32 2cv3 h TYR 170 CO 0.39 0.17 0.42 0.00 -1.64 0.00 0.00 178.16 177.51 2cv3 h ALA 171 N 1.53 0.97 0.10 1.82 0.00 -1.98 0.17 119.26 121.88 2cv3 h ALA 171 Ca 0.44 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.16 2cv3 h ALA 171 Cb 0.60 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.24 2cv3 h ALA 171 CO -0.35 0.13 -0.82 0.82 0.00 0.00 0.00 179.25 179.03 2cv3 h ILE 172 N 0.79 1.46 -0.39 0.00 2.04 -1.64 -3.30 117.51 116.46 2cv3 h ILE 172 Ca 0.31 -2.40 -0.01 0.00 1.00 0.00 0.00 64.86 63.77 2cv3 h ILE 172 Cb 0.15 2.97 -0.02 0.00 -0.74 0.00 0.00 36.82 39.18 2cv3 h ILE 172 CO -0.17 0.69 0.21 0.00 0.00 0.00 0.00 178.15 178.89 2cv3 n SER 174 N -4.43 1.17 -4.85 0.00 3.41 0.57 -0.87 113.62 108.62 2cv3 n SER 174 Ca 0.03 -1.67 -0.31 0.00 -0.26 0.00 0.00 58.87 56.66 2cv3 n SER 174 Cb 0.10 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 63.98 2cv3 n SER 174 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cv3 s SER 175 N -1.50 5.93 0.42 4.04 1.04 -0.71 -3.24 113.70 119.69 2cv3 s SER 175 Ca 0.29 1.53 0.12 0.00 0.48 0.00 0.00 55.95 58.36 2cv3 s SER 175 Cb 0.15 -2.49 0.97 0.00 0.10 0.00 0.00 66.02 64.75 2cv3 s SER 175 CO 0.23 -1.07 1.99 0.77 0.98 0.00 0.00 173.24 176.13 2cv3 h SER 176 N -0.32 0.42 1.06 7.02 4.64 -1.91 -1.02 113.55 123.45 2cv3 h SER 176 Ca -0.44 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2cv3 h SER 176 Cb 1.20 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2cv3 h SER 176 CO 0.60 0.26 0.00 -1.54 -0.87 0.00 0.00 176.83 175.28 2cv3 n SER 177 N -4.47 0.36 0.00 4.97 3.41 -1.26 -4.56 113.62 112.06 2cv3 n SER 177 Ca 0.09 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2cv3 n SER 177 Cb 0.31 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2cv3 n SER 177 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2cv3 n TYR 178 N -1.85 0.00 1.06 7.33 4.02 -0.48 -4.82 117.16 122.43 2cv3 n TYR 178 Ca 0.05 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.06 2cv3 n TYR 178 Cb 0.34 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.74 2cv3 n TYR 178 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2cv3 n TRP 179 N 0.00 0.00 -0.30 -0.72 7.02 -0.05 -4.85 117.44 118.55 2cv3 n TRP 179 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2cv3 n TRP 179 Cb 0.00 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 28.83 2cv3 n TRP 179 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2cv3 n GLY 180 N 1.43 3.10 0.21 6.99 0.00 -0.66 -1.38 105.19 114.88 2cv3 n GLY 180 Ca 0.08 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2cv3 n GLY 180 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2cv3 h SER 181 N 0.59 0.00 -0.69 1.61 0.87 -1.90 -3.28 113.55 110.74 2cv3 h SER 181 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2cv3 h SER 181 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2cv3 h SER 181 CO 0.00 0.00 0.24 0.74 -0.53 0.00 0.00 176.83 177.28 2cv3 h THR 182 N 0.00 1.25 -3.91 2.23 2.02 -1.60 -3.42 112.91 109.48 2cv3 h THR 182 Ca 0.00 -0.85 -0.47 0.00 0.77 0.00 0.00 66.41 65.86 2cv3 h THR 182 Cb 0.56 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2cv3 h THR 182 CO 0.00 0.34 0.36 0.54 0.37 0.00 0.00 175.52 177.13 2cv3 s VAL 183 N -5.41 4.09 0.32 3.16 0.11 -1.24 -4.79 120.40 116.65 2cv3 s VAL 183 Ca -0.12 1.68 0.10 0.00 -2.93 0.00 0.00 61.98 60.72 2cv3 s VAL 183 Cb 0.15 -3.91 -0.06 0.00 -1.53 0.00 0.00 36.38 31.04 2cv3 s VAL 183 CO 0.83 0.09 -0.12 -0.54 -3.33 0.00 0.00 175.10 172.03 2cv3 s LYS 184 N -2.21 1.79 0.14 1.54 -0.14 -1.26 -4.95 119.74 114.65 2cv3 s LYS 184 Ca 0.52 -1.87 0.20 0.00 -1.36 0.00 0.00 55.97 53.46 2cv3 s LYS 184 Cb -0.19 -1.74 0.84 0.00 -1.68 0.00 0.00 37.83 35.06 2cv3 s LYS 184 CO 0.24 0.20 1.63 -1.71 -0.76 0.00 0.00 175.35 174.96 2cv3 n ASN 185 N -0.75 0.38 -0.05 2.83 4.05 -1.26 -1.69 115.26 118.78 2cv3 n ASN 185 Ca -0.05 0.59 0.03 0.00 0.45 0.00 0.00 54.58 55.59 2cv3 n ASN 185 Cb 0.62 -0.67 0.14 0.00 1.23 0.00 0.00 39.78 41.10 2cv3 n ASN 185 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 2cv3 n SER 186 N -1.91 0.14 -4.45 1.20 3.41 -1.26 -4.86 113.62 105.89 2cv3 n SER 186 Ca 0.03 -1.86 -0.22 0.00 -0.26 0.00 0.00 58.87 56.56 2cv3 n SER 186 Cb 0.22 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 2cv3 n SER 186 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2cv3 s MET 187 N -1.97 1.61 -0.08 4.33 -1.94 -0.68 -0.56 119.30 120.01 2cv3 s MET 187 Ca 0.08 -1.83 0.05 0.00 -1.71 0.00 0.00 55.69 52.28 2cv3 s MET 187 Cb 0.04 -1.16 -0.01 0.00 2.01 0.00 0.00 34.83 35.71 2cv3 s MET 187 CO 0.06 -0.00 -0.24 0.08 -0.01 0.00 0.00 175.02 174.91 2cv3 s VAL 188 N -3.02 2.09 -0.09 -6.03 1.01 0.10 -4.67 120.40 109.79 2cv3 s VAL 188 Ca 0.31 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 2cv3 s VAL 188 Cb 0.05 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2cv3 s VAL 188 CO 0.13 0.56 0.09 0.00 0.00 0.00 0.00 175.10 175.89 2cv3 s ALA 190 N -1.03 -0.86 0.00 0.00 0.00 -0.46 -0.75 121.76 118.66 2cv3 s ALA 190 Ca 0.16 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2cv3 s ALA 190 Cb -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2cv3 s ALA 190 CO 0.06 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2cv3 n GLY 191 N 3.41 0.97 1.86 0.00 0.00 0.24 -1.68 105.19 109.99 2cv3 n GLY 191 Ca -0.17 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2cv3 n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cv3 n GLY 192 N 0.00 0.44 0.27 -0.02 0.00 -1.26 -4.66 105.19 99.96 2cv3 n GLY 192 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.21 2cv3 n GLY 192 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cv3 n ASP 193 N 1.63 0.81 0.00 1.61 3.85 -1.26 -1.11 116.55 122.07 2cv3 n ASP 193 Ca 0.00 -1.62 0.00 0.00 -0.71 0.00 0.00 54.79 52.46 2cv3 n ASP 193 Cb 0.00 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.71 2cv3 n ASP 193 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2cv3 n GLY 194 N 0.92 2.22 0.17 6.12 0.00 -1.26 -4.79 105.19 108.58 2cv3 n GLY 194 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2cv3 n GLY 194 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2cv3 n VAL 195 N -2.00 0.00 -4.77 1.61 0.31 -1.26 -4.63 118.33 107.59 2cv3 n VAL 195 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 2cv3 n VAL 195 Cb 0.00 -0.55 -0.13 0.00 -0.91 0.00 0.00 33.84 32.25 2cv3 n VAL 195 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2cv3 s ARG 196 N -1.86 2.75 0.08 5.55 3.00 -1.26 -3.74 118.95 123.47 2cv3 s ARG 196 Ca 0.00 -0.64 -0.27 0.00 0.00 0.00 0.00 55.73 54.81 2cv3 s ARG 196 Cb 0.00 -2.50 0.09 0.00 0.00 0.00 0.00 34.95 32.54 2cv3 s ARG 196 CO 0.00 0.56 1.09 -1.54 0.00 0.00 0.00 175.30 175.42 2cv3 s SER 197 N -0.56 -0.13 0.71 0.23 1.04 -0.96 -4.39 113.70 109.63 2cv3 s SER 197 Ca 0.08 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.12 2cv3 s SER 197 Cb -0.12 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.37 2cv3 s SER 197 CO 0.02 -0.65 1.07 -0.83 0.98 0.00 0.00 173.24 173.83 2cv3 s GLY 198 N -2.93 1.65 0.30 7.32 0.00 -1.26 -0.75 107.32 111.65 2cv3 s GLY 198 Ca 0.13 -0.12 -0.08 0.00 0.00 0.00 0.00 44.72 44.65 2cv3 s GLY 198 CO -0.01 0.22 0.49 0.00 0.00 0.00 0.00 173.10 173.80 2cv3 n GLN 200 N -0.47 1.79 0.00 0.00 3.00 -1.26 -1.30 117.38 119.14 2cv3 n GLN 200 Ca -0.01 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 2cv3 n GLN 200 Cb 0.62 -2.29 0.00 0.00 0.00 0.00 0.00 30.24 28.57 2cv3 n GLN 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2cv3 n GLY 201 N 2.46 1.43 0.09 1.08 0.00 -1.26 0.01 105.19 109.01 2cv3 n GLY 201 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2cv3 n GLY 201 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2cv3 h ASP 202 N 0.00 0.00 -1.48 1.61 3.32 -1.47 -3.29 116.42 115.11 2cv3 h ASP 202 Ca 0.00 -0.13 -0.65 0.00 0.02 0.00 0.00 57.03 56.28 2cv3 h ASP 202 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 2cv3 h ASP 202 CO 0.00 0.06 -0.41 -1.20 -1.72 0.00 0.00 179.24 175.98 2cv3 n SER 203 N -2.36 -0.78 0.00 6.45 7.64 -1.26 -1.57 113.62 121.74 2cv3 n SER 203 Ca 0.02 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.00 2cv3 n SER 203 Cb 0.48 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2cv3 n SER 203 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cv3 n GLY 204 N 1.84 3.10 3.75 0.23 0.00 0.45 0.43 105.19 114.99 2cv3 n GLY 204 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2cv3 n GLY 204 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cv3 s GLY 205 N -1.50 1.59 0.37 -0.02 0.00 -0.61 -3.44 107.32 103.71 2cv3 s GLY 205 Ca 0.00 -0.64 -0.20 0.00 0.00 0.00 0.00 44.72 43.88 2cv3 s GLY 205 CO 0.00 0.01 0.88 2.56 0.00 0.00 0.00 173.10 176.54 2cv3 s PRO 206 N -5.31 4.23 -0.27 2.90 0.04 -1.26 -0.67 135.00 134.66 2cv3 s PRO 206 Ca 0.66 1.01 -0.04 0.00 0.04 0.00 0.00 61.00 62.68 2cv3 s PRO 206 Cb -0.13 -2.39 0.02 0.00 0.04 0.00 0.00 34.50 32.03 2cv3 s PRO 206 CO 0.55 0.10 0.00 -1.17 0.04 0.00 0.00 177.00 176.51 2cv3 s LEU 207 N -2.87 3.51 -0.25 -3.56 2.96 -0.65 -3.38 118.68 114.45 2cv3 s LEU 207 Ca 0.57 -0.83 -0.12 0.00 -0.22 0.00 0.00 54.13 53.53 2cv3 s LEU 207 Cb -0.11 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 2cv3 s LEU 207 CO 0.16 -0.16 0.21 -1.00 -1.32 0.00 0.00 176.35 174.24 2cv3 s HIS 208 N 1.39 3.30 -0.03 5.38 3.76 0.19 -1.42 115.29 127.87 2cv3 s HIS 208 Ca 0.01 0.26 0.08 0.00 -0.15 0.00 0.00 55.06 55.26 2cv3 s HIS 208 Cb -0.17 -2.34 -0.02 0.00 1.11 0.00 0.00 32.58 31.16 2cv3 s HIS 208 CO -0.01 -0.01 -0.26 0.00 -0.85 0.00 0.00 174.74 173.61 2cv3 s LEU 210 N -0.52 3.81 -0.06 0.00 2.96 -0.79 -0.77 118.68 123.31 2cv3 s LEU 210 Ca 0.07 0.70 0.01 0.00 -0.22 0.00 0.00 54.13 54.69 2cv3 s LEU 210 Cb -0.11 -3.50 0.02 0.00 0.50 0.00 0.00 46.19 43.10 2cv3 s LEU 210 CO -0.00 -1.05 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.22 2cv3 s VAL 211 N 4.00 0.73 -1.53 1.68 1.01 -0.37 -4.76 120.40 121.16 2cv3 s VAL 211 Ca 0.45 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 2cv3 s VAL 211 Cb -0.10 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.58 2cv3 s VAL 211 CO 0.24 0.28 0.36 0.59 0.00 0.00 0.00 175.10 176.56 2cv3 n ASN 212 N 4.26 -0.50 0.00 3.32 4.13 -1.26 -1.90 115.26 123.32 2cv3 n ASN 212 Ca -0.20 -1.11 0.00 0.00 1.68 0.00 0.00 54.58 54.95 2cv3 n ASN 212 Cb 0.51 -2.45 0.00 0.00 -1.54 0.00 0.00 39.78 36.30 2cv3 n ASN 212 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2cv3 n GLY 213 N -2.02 2.26 3.42 7.41 0.00 -1.26 -4.99 105.19 110.00 2cv3 n GLY 213 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2cv3 n GLY 213 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cv3 s GLN 214 N -0.02 2.70 0.15 1.61 0.74 -0.80 -5.10 119.66 118.94 2cv3 s GLN 214 Ca 0.00 -0.73 -0.27 0.00 0.05 0.00 0.00 55.36 54.41 2cv3 s GLN 214 Cb 0.00 -2.39 -0.07 0.00 1.10 0.00 0.00 33.01 31.64 2cv3 s GLN 214 CO 0.00 0.49 0.84 0.71 -0.55 0.00 0.00 175.29 176.78 2cv3 s TYR 215 N -0.40 3.88 0.10 1.67 2.02 -1.26 -1.24 117.35 122.12 2cv3 s TYR 215 Ca 0.04 1.69 0.03 0.00 -0.37 0.00 0.00 57.07 58.46 2cv3 s TYR 215 Cb -0.12 -2.87 -0.04 0.00 -0.40 0.00 0.00 41.96 38.53 2cv3 s TYR 215 CO 0.02 0.41 -0.08 0.00 -1.57 0.00 0.00 175.55 174.33 2cv3 s ALA 216 N -0.77 1.04 -0.60 3.71 0.00 0.05 -4.62 121.76 120.57 2cv3 s ALA 216 Ca 0.39 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 50.88 2cv3 s ALA 216 Cb -0.23 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.03 2cv3 s ALA 216 CO 0.27 -0.12 0.90 0.08 0.00 0.00 0.00 175.76 176.89 2cv3 s VAL 217 N -2.90 4.45 -0.71 0.00 1.01 0.10 -0.71 120.40 121.64 2cv3 s VAL 217 Ca 0.08 -0.20 0.23 0.00 0.00 0.00 0.00 61.98 62.09 2cv3 s VAL 217 Cb 0.00 -4.57 -0.06 0.00 0.00 0.00 0.00 36.38 31.75 2cv3 s VAL 217 CO -0.02 -1.23 1.16 1.41 0.00 0.00 0.00 175.10 176.41 2cv3 n HIS 218 N 7.34 0.27 -4.04 5.22 8.25 -0.51 -4.35 115.22 127.39 2cv3 n HIS 218 Ca -0.03 0.08 -0.09 0.00 -0.26 0.00 0.00 57.72 57.42 2cv3 n HIS 218 Cb 0.46 -0.43 -0.11 0.00 1.12 0.00 0.00 29.99 31.03 2cv3 n HIS 218 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2cv3 s GLY 219 N -3.50 0.38 -0.22 -1.41 0.00 -1.16 -1.40 107.32 100.00 2cv3 s GLY 219 Ca 0.06 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 43.90 2cv3 s GLY 219 CO 0.77 -0.95 -0.09 0.14 0.00 0.00 0.00 173.10 172.97 2cv3 s VAL 220 N -2.40 2.79 0.07 1.40 1.01 -0.68 -1.64 120.40 120.94 2cv3 s VAL 220 Ca -0.06 -0.88 -0.33 0.00 0.00 0.00 0.00 61.98 60.71 2cv3 s VAL 220 Cb -0.03 -2.33 -0.12 0.00 0.00 0.00 0.00 36.38 33.90 2cv3 s VAL 220 CO -0.04 0.33 1.76 0.41 0.00 0.00 0.00 175.10 177.56 2cv3 n THR 221 N 4.68 0.30 0.01 3.92 -1.04 0.15 -0.30 114.28 122.01 2cv3 n THR 221 Ca -0.18 -0.05 -0.00 0.00 -2.04 0.00 0.00 64.05 61.78 2cv3 n THR 221 Cb 0.49 -1.84 -0.00 0.00 -1.82 0.00 0.00 70.33 67.15 2cv3 n THR 221 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2cv3 n SER 222 N 5.15 0.38 -3.76 8.00 2.88 -0.41 -0.41 113.62 125.44 2cv3 n SER 222 Ca 0.19 0.05 -0.11 0.00 -1.33 0.00 0.00 58.87 57.67 2cv3 n SER 222 Cb 0.32 -0.14 -0.05 0.00 -0.75 0.00 0.00 64.21 63.59 2cv3 n SER 222 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2cv3 s PHE 223 N -1.35 0.68 0.26 0.66 -0.71 -0.63 -4.89 117.98 112.01 2cv3 s PHE 223 Ca -0.01 -1.00 0.04 0.00 -1.04 0.00 0.00 56.93 54.93 2cv3 s PHE 223 Cb 0.00 0.02 -0.02 0.00 -1.21 0.00 0.00 43.02 41.81 2cv3 s PHE 223 CO 0.01 -1.01 0.15 1.33 -1.34 0.00 0.00 175.22 174.36 2cv3 n VAL 224 N -0.43 0.00 -2.00 -2.49 0.24 -1.26 -0.79 118.33 111.60 2cv3 n VAL 224 Ca -0.00 -1.70 -0.35 0.00 -2.04 0.00 0.00 64.34 60.24 2cv3 n VAL 224 Cb 0.62 0.73 0.03 0.00 -1.47 0.00 0.00 33.84 33.75 2cv3 n VAL 224 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2cv3 s SER 225 N -2.71 5.31 0.41 -1.34 0.15 -1.22 -4.89 113.70 109.40 2cv3 s SER 225 Ca 0.21 2.21 0.29 0.00 0.70 0.00 0.00 55.95 59.36 2cv3 s SER 225 Cb 0.01 -2.58 1.14 0.00 -1.71 0.00 0.00 66.02 62.88 2cv3 s SER 225 CO 0.15 -1.50 1.85 0.03 1.20 0.00 0.00 173.24 174.96 2cv3 h ARG 226 N 0.71 0.00 0.00 5.44 2.47 -2.01 -2.70 114.38 118.29 2cv3 h ARG 226 Ca -0.49 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 2cv3 h ARG 226 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 2cv3 h ARG 226 CO 0.55 0.00 0.00 -0.07 0.56 0.00 0.00 179.97 181.01 2cv3 h LEU 227 N 0.00 0.00 0.00 3.04 3.38 -2.03 -3.48 115.31 116.22 2cv3 h LEU 227 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2cv3 h LEU 227 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2cv3 h LEU 227 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2cv3 n GLY 228 N 1.10 2.47 0.22 0.83 0.00 -1.02 -5.02 105.19 103.77 2cv3 n GLY 228 Ca 0.04 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 2cv3 n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cv3 s ASN 230 N -4.25 6.45 -0.13 0.00 4.22 -1.26 -4.70 114.94 115.27 2cv3 s ASN 230 Ca -0.07 -1.81 0.02 0.00 -2.14 0.00 0.00 52.86 48.85 2cv3 s ASN 230 Cb 0.01 -2.34 0.01 0.00 1.28 0.00 0.00 41.25 40.21 2cv3 s ASN 230 CO 0.22 -1.05 -0.18 -0.69 -2.04 0.00 0.00 177.10 173.35 2cv3 s VAL 231 N 2.45 1.77 0.16 3.54 1.01 -1.26 -4.69 120.40 123.38 2cv3 s VAL 231 Ca 0.22 -0.80 -0.34 0.00 0.00 0.00 0.00 61.98 61.06 2cv3 s VAL 231 Cb -0.14 -1.59 -0.14 0.00 0.00 0.00 0.00 36.38 34.51 2cv3 s VAL 231 CO -0.02 0.49 1.54 0.41 0.00 0.00 0.00 175.10 177.53 2cv3 n THR 232 N 4.21 0.06 -1.41 3.92 -1.04 -1.26 -1.62 114.28 117.14 2cv3 n THR 232 Ca -0.19 -0.02 -0.12 0.00 -2.04 0.00 0.00 64.05 61.68 2cv3 n THR 232 Cb 0.51 -1.47 -0.05 0.00 -1.82 0.00 0.00 70.33 67.50 2cv3 n THR 232 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2cv3 n ARG 233 N 3.24 -0.84 -3.40 -2.82 1.74 -0.27 -4.91 116.66 109.40 2cv3 n ARG 233 Ca 0.17 0.90 -0.26 0.00 -0.77 0.00 0.00 57.85 57.88 2cv3 n ARG 233 Cb 0.28 -4.92 -0.08 0.00 -1.02 0.00 0.00 32.46 26.72 2cv3 n ARG 233 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2cv3 n LYS 234 N -2.62 1.49 -1.20 5.56 4.76 -0.64 -4.17 118.16 121.34 2cv3 n LYS 234 Ca -0.12 -3.94 -0.34 0.00 -2.87 0.00 0.00 58.31 51.04 2cv3 n LYS 234 Cb 0.41 -1.82 0.12 0.00 -1.84 0.00 0.00 35.03 31.90 2cv3 n LYS 234 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2cv3 s PRO 235 N -1.56 1.77 0.40 1.97 0.04 -1.26 -4.45 135.00 131.91 2cv3 s PRO 235 Ca 0.35 1.79 -0.27 0.00 0.04 0.00 0.00 61.00 62.91 2cv3 s PRO 235 Cb 0.12 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.78 2cv3 s PRO 235 CO -0.09 -2.13 1.33 0.99 0.04 0.00 0.00 177.00 177.14 2cv3 s THR 236 N -2.06 2.54 -0.08 1.26 2.01 -0.68 -4.74 115.64 113.89 2cv3 s THR 236 Ca 0.74 0.50 0.01 0.00 0.31 0.00 0.00 61.69 63.25 2cv3 s THR 236 Cb -0.30 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 2cv3 s THR 236 CO 0.49 0.08 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.73 2cv3 s VAL 237 N -1.23 3.57 0.12 3.82 1.01 0.03 -1.35 120.40 126.37 2cv3 s VAL 237 Ca 0.56 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 62.07 2cv3 s VAL 237 Cb -0.39 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2cv3 s VAL 237 CO 0.51 0.58 -0.14 -0.36 0.00 0.00 0.00 175.10 175.70 2cv3 s PHE 238 N -0.60 1.34 0.18 5.22 0.08 0.19 -1.29 117.98 123.10 2cv3 s PHE 238 Ca 0.09 -0.56 -0.30 0.00 0.12 0.00 0.00 56.93 56.28 2cv3 s PHE 238 Cb -0.12 -0.71 -0.08 0.00 -0.57 0.00 0.00 43.02 41.55 2cv3 s PHE 238 CO 0.02 0.12 1.14 0.99 -0.10 0.00 0.00 175.22 177.38 2cv3 s THR 239 N -2.12 3.77 -0.70 0.64 2.01 0.59 0.01 115.64 119.83 2cv3 s THR 239 Ca 0.08 1.51 -0.27 0.00 0.31 0.00 0.00 61.69 63.31 2cv3 s THR 239 Cb -0.05 -3.96 0.03 0.00 0.01 0.00 0.00 72.50 68.52 2cv3 s THR 239 CO 0.03 0.25 1.31 -0.60 -0.69 0.00 0.00 174.62 174.92 2cv3 s ARG 240 N -0.29 3.21 0.29 4.92 3.52 0.28 -1.69 118.95 129.18 2cv3 s ARG 240 Ca 0.51 -0.08 0.03 0.00 -0.13 0.00 0.00 55.73 56.06 2cv3 s ARG 240 Cb -0.30 -4.17 0.66 0.00 -1.56 0.00 0.00 34.95 29.57 2cv3 s ARG 240 CO 0.35 -2.11 1.77 0.28 -0.81 0.00 0.00 175.30 174.78 2cv3 h VAL 241 N 6.12 0.70 0.00 7.11 2.07 -1.53 -0.56 116.25 130.16 2cv3 h VAL 241 Ca -0.27 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2cv3 h VAL 241 Cb 1.06 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2cv3 h VAL 241 CO 1.26 0.13 0.00 -1.54 0.02 0.00 0.00 177.57 177.43 2cv3 n SER 242 N -4.82 0.49 0.05 0.57 3.41 -1.26 -0.72 113.62 111.34 2cv3 n SER 242 Ca 0.21 0.70 0.13 0.00 -0.26 0.00 0.00 58.87 59.65 2cv3 n SER 242 Cb 0.52 -0.78 0.43 0.00 -0.26 0.00 0.00 64.21 64.12 2cv3 n SER 242 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cv3 n ALA 243 N -1.73 2.56 -0.47 7.33 0.00 -0.22 -1.28 120.51 126.69 2cv3 n ALA 243 Ca -0.00 -0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.35 2cv3 n ALA 243 Cb 0.07 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.19 2cv3 n ALA 243 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2cv3 n TYR 244 N -1.87 0.00 -0.22 0.00 4.02 0.11 -4.78 117.16 114.42 2cv3 n TYR 244 Ca 0.06 -0.64 -0.00 0.00 -0.01 0.00 0.00 57.90 57.30 2cv3 n TYR 244 Cb 0.39 -0.08 0.11 0.00 -0.02 0.00 0.00 39.34 39.74 2cv3 n TYR 244 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 2cv3 h ILE 245 N 0.30 0.83 -0.63 -0.72 1.08 -1.71 0.43 117.51 117.08 2cv3 h ILE 245 Ca 0.00 -0.17 -0.08 0.00 -0.39 0.00 0.00 64.86 64.22 2cv3 h ILE 245 Cb 0.72 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.73 2cv3 h ILE 245 CO 0.00 0.09 0.10 0.28 -0.69 0.00 0.00 178.15 177.93 2cv3 h SER 246 N 0.50 1.01 -0.12 1.72 0.02 -1.91 -1.17 113.55 113.61 2cv3 h SER 246 Ca 0.31 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2cv3 h SER 246 Cb 0.34 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2cv3 h SER 246 CO -0.27 1.02 0.07 -0.25 -1.14 0.00 0.00 176.83 176.26 2cv3 h TRP 247 N 0.97 0.16 0.02 3.45 7.01 -1.65 -0.94 115.95 124.98 2cv3 h TRP 247 Ca 0.19 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.20 2cv3 h TRP 247 Cb 0.44 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 2cv3 h TRP 247 CO 0.03 0.16 -0.10 0.82 -2.79 0.00 0.00 178.44 176.56 2cv3 h ILE 248 N 0.11 0.76 -1.00 2.65 2.04 -0.04 -0.58 117.51 121.46 2cv3 h ILE 248 Ca 0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2cv3 h ILE 248 Cb 0.05 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 2cv3 h ILE 248 CO -0.01 0.00 0.66 0.78 0.00 0.00 0.00 178.15 179.58 2cv3 h ASN 249 N -0.18 1.14 -0.51 1.72 -0.26 -1.12 -1.55 115.58 114.83 2cv3 h ASN 249 Ca 0.03 -0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 2cv3 h ASN 249 Cb 0.21 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 2cv3 h ASN 249 CO -0.08 0.83 0.16 0.78 -1.06 0.00 0.00 177.43 178.05 2cv3 h ASN 250 N 1.35 0.74 -0.05 5.81 -0.26 -0.80 -0.42 115.58 121.96 2cv3 h ASN 250 Ca 0.37 -0.21 -0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2cv3 h ASN 250 Cb -0.15 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 36.91 2cv3 h ASN 250 CO -0.08 0.75 0.02 0.58 -1.06 0.00 0.00 177.43 177.64 2cv3 h VAL 251 N 0.69 1.14 -0.87 2.81 2.07 -0.73 -2.14 116.25 119.22 2cv3 h VAL 251 Ca 0.16 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2cv3 h VAL 251 Cb 0.28 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 2cv3 h VAL 251 CO -0.00 0.11 0.48 0.40 0.02 0.00 0.00 177.57 178.58 2cv3 h ILE 252 N -0.09 1.25 0.00 4.57 2.04 -1.20 -2.02 117.51 122.06 2cv3 h ILE 252 Ca 0.02 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 2cv3 h ILE 252 Cb 0.17 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 2cv3 h ILE 252 CO -0.00 0.29 -0.15 0.00 0.00 0.00 0.00 178.15 178.28 2cv3 h ALA 253 N 1.26 1.39 -0.05 1.87 0.00 -0.93 -2.99 119.26 119.80 2cv3 h ALA 253 Ca 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2cv3 h ALA 253 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2cv3 h ALA 253 CO -0.05 0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 2cv3 n SER 254 N -3.83 2.87 0.00 0.00 3.41 -0.82 -5.09 113.62 110.16 2cv3 n SER 254 Ca -0.02 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 2cv3 n SER 254 Cb 0.25 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2cv3 n SER 254 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47