#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p2k s VAL 17 N 0.00 4.87 -0.26 1.39 1.01 0.66 -4.09 120.40 123.98 1p2k s VAL 17 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1p2k s VAL 17 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1p2k s VAL 17 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1p2k n GLY 18 N 3.03 0.58 0.00 4.51 0.00 -1.21 -1.51 105.19 110.59 1p2k n GLY 18 Ca -0.17 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1p2k n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2k n GLY 19 N -2.46 1.48 3.13 -0.02 0.00 -1.26 -4.87 105.19 101.19 1p2k n GLY 19 Ca -0.02 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 43.99 1p2k n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p2k s TYR 20 N 1.81 0.34 -0.13 1.61 -0.85 0.63 -4.92 117.35 115.84 1p2k s TYR 20 Ca 0.00 -0.80 -0.29 0.00 -0.52 0.00 0.00 57.07 55.45 1p2k s TYR 20 Cb 0.00 -0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.06 1p2k s TYR 20 CO 0.00 -0.43 1.68 0.99 -1.52 0.00 0.00 175.55 176.27 1p2k s THR 21 N -3.67 3.58 0.12 -3.49 2.01 -1.26 0.46 115.64 113.39 1p2k s THR 21 Ca 0.04 0.68 -0.20 0.00 0.31 0.00 0.00 61.69 62.52 1p2k s THR 21 Cb 0.05 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 1p2k s THR 21 CO -0.09 -0.15 1.73 0.00 -0.69 0.00 0.00 174.62 175.41 1p2k n GLY 23 N -1.17 3.30 3.59 0.00 0.00 -1.26 -4.81 105.19 104.84 1p2k n GLY 23 Ca -0.03 -1.54 -0.57 0.00 0.00 0.00 0.00 46.02 43.88 1p2k n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2k n ALA 24 N 0.31 0.15 -2.24 4.61 0.00 -1.26 -2.01 120.51 120.06 1p2k n ALA 24 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 1p2k n ALA 24 Cb 0.00 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.15 1p2k n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p2k n ASN 25 N 6.76 -5.55 0.00 0.00 4.13 -1.26 -4.87 115.26 114.48 1p2k n ASN 25 Ca 0.34 0.11 0.14 0.00 1.68 0.00 0.00 54.58 56.85 1p2k n ASN 25 Cb 0.12 -4.68 0.58 0.00 -1.54 0.00 0.00 39.78 34.26 1p2k n ASN 25 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1p2k n THR 26 N -3.60 0.02 -3.42 3.41 -2.24 -0.85 -3.79 114.28 103.80 1p2k n THR 26 Ca -0.23 -0.01 -0.26 0.00 -2.27 0.00 0.00 64.05 61.28 1p2k n THR 26 Cb 0.67 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 1p2k n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1p2k n VAL 27 N -1.53 1.16 0.33 2.28 0.31 -1.26 -4.98 118.33 114.64 1p2k n VAL 27 Ca 0.07 -4.71 0.17 0.00 -0.01 0.00 0.00 64.34 59.86 1p2k n VAL 27 Cb 0.34 -2.04 0.88 0.00 -0.91 0.00 0.00 33.84 32.11 1p2k n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1p2k h PRO 28 N 4.39 0.00 -0.00 5.55 0.13 -1.77 -1.78 132.00 138.52 1p2k h PRO 28 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1p2k h PRO 28 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1p2k h PRO 28 CO 0.68 0.00 -0.52 2.48 -0.23 0.00 0.00 178.00 180.41 1p2k n TYR 29 N -2.94 0.00 -2.51 1.56 0.18 -1.12 -2.14 117.16 110.18 1p2k n TYR 29 Ca -0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.34 1p2k n TYR 29 Cb 0.34 -0.14 -0.03 0.00 -0.38 0.00 0.00 39.34 39.13 1p2k n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1p2k s GLN 30 N -2.81 4.46 0.22 -3.48 2.00 -0.67 -0.79 119.66 118.59 1p2k s GLN 30 Ca 0.15 1.65 0.07 0.00 -2.00 0.00 0.00 55.36 55.23 1p2k s GLN 30 Cb 0.18 -3.41 -0.05 0.00 0.80 0.00 0.00 33.01 30.53 1p2k s GLN 30 CO 0.67 -0.23 -0.11 0.14 -0.50 0.00 0.00 175.29 175.26 1p2k s VAL 31 N 1.23 1.62 -0.09 1.34 -7.23 -0.44 -4.53 120.40 112.31 1p2k s VAL 31 Ca 0.56 -2.17 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1p2k s VAL 31 Cb -0.26 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 1p2k s VAL 31 CO 0.28 -0.53 -0.12 -0.55 -0.31 0.00 0.00 175.10 173.87 1p2k s SER 32 N -3.33 4.14 -0.22 4.85 0.15 -0.68 -1.73 113.70 116.88 1p2k s SER 32 Ca 0.24 -0.22 -0.14 0.00 0.70 0.00 0.00 55.95 56.53 1p2k s SER 32 Cb 0.01 -1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 63.04 1p2k s SER 32 CO 0.08 0.27 0.30 -0.76 1.20 0.00 0.00 173.24 174.33 1p2k s LEU 33 N -0.25 4.13 -0.07 3.45 1.43 0.61 -0.74 118.68 127.24 1p2k s LEU 33 Ca 0.02 0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 1p2k s LEU 33 Cb -0.13 -2.35 -0.00 0.00 0.03 0.00 0.00 46.19 43.74 1p2k s LEU 33 CO 0.03 -0.03 -0.22 0.21 0.23 0.00 0.00 176.35 176.57 1p2k s ASN 34 N 1.08 2.81 -0.34 2.29 3.84 0.47 -2.08 114.94 123.00 1p2k s ASN 34 Ca 0.14 -0.49 0.14 0.00 0.21 0.00 0.00 52.86 52.87 1p2k s ASN 34 Cb -0.14 -1.04 0.46 0.00 -0.55 0.00 0.00 41.25 39.98 1p2k s ASN 34 CO 0.07 0.17 1.06 -0.24 -2.79 0.00 0.00 177.10 175.37 1p2k n SER 37 N 3.30 2.82 0.00 -4.21 2.88 -1.26 -0.75 113.62 116.39 1p2k n SER 37 Ca -0.19 -2.98 0.00 0.00 -1.33 0.00 0.00 58.87 54.37 1p2k n SER 37 Cb 0.52 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1p2k n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p2k n GLY 38 N -0.37 0.40 3.61 0.46 0.00 -1.26 -5.00 105.19 103.03 1p2k n GLY 38 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 1p2k n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1p2k s TYR 39 N -2.00 -0.05 -0.05 1.61 1.13 -1.26 -5.14 117.35 111.59 1p2k s TYR 39 Ca 0.00 0.01 -0.30 0.00 -1.41 0.00 0.00 57.07 55.37 1p2k s TYR 39 Cb 0.00 0.52 -0.03 0.00 -1.10 0.00 0.00 41.96 41.34 1p2k s TYR 39 CO 0.00 -0.15 1.22 -1.58 -2.51 0.00 0.00 175.55 172.53 1p2k s HIS 40 N -2.26 3.16 0.00 -3.49 5.65 -1.26 -4.29 115.29 112.80 1p2k s HIS 40 Ca 0.12 1.18 0.00 0.00 0.25 0.00 0.00 55.06 56.61 1p2k s HIS 40 Cb 0.02 -3.44 0.00 0.00 -1.18 0.00 0.00 32.58 27.98 1p2k s HIS 40 CO -0.04 -1.41 0.00 1.97 -0.65 0.00 0.00 174.74 174.61 1p2k n PHE 41 N 5.21 0.00 -3.64 3.88 1.16 -0.88 -5.00 117.46 118.19 1p2k n PHE 41 Ca 0.11 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.60 1p2k n PHE 41 Cb 0.46 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.31 1p2k n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1p2k n GLY 43 N -0.42 2.71 3.71 0.00 0.00 0.14 -0.28 105.19 111.05 1p2k n GLY 43 Ca -0.10 -2.27 -0.03 0.00 0.00 0.00 0.00 46.02 43.62 1p2k n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p2k s GLY 44 N -3.73 -0.28 -0.10 -0.02 0.00 -0.71 -3.64 107.32 98.85 1p2k s GLY 44 Ca 0.27 0.32 0.02 0.00 0.00 0.00 0.00 44.72 45.33 1p2k s GLY 44 CO 0.17 0.06 -0.16 -0.56 0.00 0.00 0.00 173.10 172.61 1p2k s SER 45 N -2.91 2.41 -0.20 1.64 0.01 -0.03 -1.32 113.70 113.29 1p2k s SER 45 Ca 0.12 -0.42 -0.29 0.00 1.31 0.00 0.00 55.95 56.67 1p2k s SER 45 Cb -0.00 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 65.14 1p2k s SER 45 CO 0.00 0.05 1.06 -0.22 0.41 0.00 0.00 173.24 174.55 1p2k s LEU 46 N 0.75 4.13 -0.00 2.44 2.96 0.03 -0.37 118.68 128.63 1p2k s LEU 46 Ca -0.12 1.44 0.09 0.00 -0.22 0.00 0.00 54.13 55.33 1p2k s LEU 46 Cb -0.16 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 1p2k s LEU 46 CO 0.02 -0.64 0.38 2.30 -1.32 0.00 0.00 176.35 177.09 1p2k n ILE 47 N 5.19 0.00 -3.56 6.68 -5.35 -0.58 -0.57 119.36 121.17 1p2k n ILE 47 Ca 0.12 -0.27 -0.11 0.00 -0.27 0.00 0.00 62.75 62.22 1p2k n ILE 47 Cb 0.46 0.92 -0.03 0.00 -1.74 0.00 0.00 39.64 39.26 1p2k n ILE 47 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1p2k s ASN 48 N -2.03 -0.42 0.47 7.28 3.84 -1.13 -4.59 114.94 118.37 1p2k s ASN 48 Ca 0.03 -0.21 0.31 0.00 0.21 0.00 0.00 52.86 53.20 1p2k s ASN 48 Cb 0.07 0.59 1.67 0.00 -0.55 0.00 0.00 41.25 43.02 1p2k s ASN 48 CO 0.39 -1.00 1.93 0.77 -2.79 0.00 0.00 177.10 176.40 1p2k h SER 49 N 2.10 0.00 0.00 -4.21 4.64 -1.96 -2.51 113.55 111.62 1p2k h SER 49 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1p2k h SER 49 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1p2k h SER 49 CO 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.34 1p2k n GLN 50 N -2.60 -0.31 -4.28 4.77 6.02 -1.26 0.07 117.38 119.80 1p2k n GLN 50 Ca -0.02 -0.59 -0.17 0.00 -0.01 0.00 0.00 57.00 56.21 1p2k n GLN 50 Cb 0.08 -0.94 -0.14 0.00 1.02 0.00 0.00 30.24 30.26 1p2k n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1p2k s TRP 51 N -0.14 0.75 0.01 1.08 0.52 -0.95 -0.27 118.94 119.95 1p2k s TRP 51 Ca 0.00 -0.20 0.06 0.00 0.02 0.00 0.00 56.10 55.98 1p2k s TRP 51 Cb 0.00 -0.47 -0.02 0.00 -1.15 0.00 0.00 33.47 31.83 1p2k s TRP 51 CO 0.00 -0.01 -0.18 0.08 0.02 0.00 0.00 176.95 176.86 1p2k s VAL 52 N -0.40 1.43 -0.13 4.03 1.01 -0.10 -1.53 120.40 124.71 1p2k s VAL 52 Ca 0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1p2k s VAL 52 Cb -0.04 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1p2k s VAL 52 CO -0.00 0.29 0.01 -0.69 0.00 0.00 0.00 175.10 174.71 1p2k s VAL 53 N -0.57 4.33 0.00 2.92 1.01 0.51 -0.49 120.40 128.10 1p2k s VAL 53 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1p2k s VAL 53 Cb -0.07 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1p2k s VAL 53 CO 0.00 0.54 0.00 -0.24 0.00 0.00 0.00 175.10 175.41 1p2k n SER 54 N 2.82 0.00 -4.89 3.32 2.88 0.19 -0.85 113.62 117.09 1p2k n SER 54 Ca -0.18 -0.78 -0.32 0.00 -1.33 0.00 0.00 58.87 56.27 1p2k n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 1p2k n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p2k s ALA 55 N -1.64 3.71 0.33 -1.46 0.00 -1.26 -0.67 121.76 120.77 1p2k s ALA 55 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.55 1p2k s ALA 55 Cb 0.00 -2.25 0.57 0.00 0.00 0.00 0.00 23.12 21.45 1p2k s ALA 55 CO 0.00 0.61 1.86 0.00 0.00 0.00 0.00 175.76 178.23 1p2k h ALA 56 N 2.79 1.34 0.00 0.00 0.00 -1.69 -1.85 119.26 119.85 1p2k h ALA 56 Ca -0.46 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1p2k h ALA 56 Cb 1.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1p2k h ALA 56 CO 0.71 0.45 0.00 -2.39 0.00 0.00 0.00 179.25 178.02 1p2k n HIS 57 N -4.27 0.00 0.91 0.00 1.44 -1.26 -1.73 115.22 110.31 1p2k n HIS 57 Ca 0.02 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.82 1p2k n HIS 57 Cb 0.25 -0.22 0.28 0.00 0.12 0.00 0.00 29.99 30.42 1p2k n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1p2k s TYR 59 N -1.62 2.69 0.06 0.00 6.14 -0.70 -4.97 117.35 118.95 1p2k s TYR 59 Ca 0.31 0.36 -0.15 0.00 0.64 0.00 0.00 57.07 58.23 1p2k s TYR 59 Cb 0.17 -4.04 0.02 0.00 0.42 0.00 0.00 41.96 38.54 1p2k s TYR 59 CO 0.24 -4.02 0.34 0.15 0.64 0.00 0.00 175.55 172.90 1p2k s LYS 60 N 1.82 0.87 0.33 4.97 1.02 -1.26 -5.15 119.74 122.34 1p2k s LYS 60 Ca 0.74 -0.52 -0.09 0.00 0.02 0.00 0.00 55.97 56.12 1p2k s LYS 60 Cb -0.45 0.38 -0.06 0.00 -0.52 0.00 0.00 37.83 37.18 1p2k s LYS 60 CO 0.33 -0.29 0.66 0.45 -0.92 0.00 0.00 175.35 175.58 1p2k s SER 61 N -2.19 6.55 -1.24 2.83 0.15 -1.26 -4.22 113.70 114.31 1p2k s SER 61 Ca -0.03 0.99 -0.05 0.00 0.70 0.00 0.00 55.95 57.55 1p2k s SER 61 Cb -0.00 -2.26 0.01 0.00 -1.71 0.00 0.00 66.02 62.06 1p2k s SER 61 CO -0.05 -0.26 0.71 0.61 1.20 0.00 0.00 173.24 175.45 1p2k n GLY 62 N -0.88 -0.32 3.75 9.45 0.00 -1.26 -4.97 105.19 110.96 1p2k n GLY 62 Ca 0.01 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1p2k n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p2k s ILE 63 N -3.16 3.60 -0.14 -0.61 1.01 -1.26 -4.67 121.20 115.97 1p2k s ILE 63 Ca 0.35 1.46 0.02 0.00 0.00 0.00 0.00 60.65 62.48 1p2k s ILE 63 Cb -0.16 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.39 1p2k s ILE 63 CO 0.44 0.28 -0.21 -1.58 0.00 0.00 0.00 174.94 173.87 1p2k s GLN 64 N -0.76 3.06 -0.13 2.79 0.74 0.07 -1.44 119.66 123.99 1p2k s GLN 64 Ca 0.49 -0.84 -0.18 0.00 0.05 0.00 0.00 55.36 54.88 1p2k s GLN 64 Cb -0.32 -2.45 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 1p2k s GLN 64 CO 0.38 0.02 0.46 0.08 -0.55 0.00 0.00 175.29 175.69 1p2k s VAL 65 N 0.74 5.20 -0.28 1.34 1.01 0.97 -0.40 120.40 128.99 1p2k s VAL 65 Ca -0.08 0.92 -0.03 0.00 0.00 0.00 0.00 61.98 62.78 1p2k s VAL 65 Cb -0.16 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1p2k s VAL 65 CO 0.00 0.33 -0.01 -0.13 0.00 0.00 0.00 175.10 175.29 1p2k s ARG 66 N 0.65 2.74 0.26 2.72 0.52 0.08 -0.85 118.95 125.08 1p2k s ARG 66 Ca 0.25 -1.05 0.07 0.00 -0.52 0.00 0.00 55.73 54.48 1p2k s ARG 66 Cb -0.15 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 1p2k s ARG 66 CO 0.10 -0.49 0.19 -0.51 0.02 0.00 0.00 175.30 174.61 1p2k s LEU 67 N 1.34 3.75 -1.29 2.53 1.02 -0.10 -1.69 118.68 124.24 1p2k s LEU 67 Ca -0.01 -0.31 0.00 0.00 0.02 0.00 0.00 54.13 53.83 1p2k s LEU 67 Cb -0.18 -2.29 0.00 0.00 0.02 0.00 0.00 46.19 43.75 1p2k s LEU 67 CO -0.02 -0.07 0.00 0.61 0.02 0.00 0.00 176.35 176.89 1p2k n GLY 69 N -1.18 0.93 3.86 -3.19 0.00 -1.26 -1.38 105.19 102.97 1p2k n GLY 69 Ca -0.07 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 1p2k n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p2k s GLU 70 N -3.53 3.88 0.00 1.61 0.41 -1.26 -3.83 118.70 115.98 1p2k s GLU 70 Ca 0.00 0.40 0.00 0.00 -0.41 0.00 0.00 54.97 54.96 1p2k s GLU 70 Cb 0.00 -2.65 0.00 0.00 -1.78 0.00 0.00 34.13 29.70 1p2k s GLU 70 CO 0.00 0.31 0.00 -3.47 -0.49 0.00 0.00 175.26 171.61 1p2k n ASP 71 N -0.02 0.00 -4.59 -0.19 2.03 -1.26 -4.54 116.55 107.98 1p2k n ASP 71 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1p2k n ASP 71 Cb 0.52 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.90 1p2k n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1p2k s ASN 72 N 0.12 6.45 0.05 1.67 3.84 -1.25 -3.06 114.94 122.75 1p2k s ASN 72 Ca 0.00 0.29 0.21 0.00 0.21 0.00 0.00 52.86 53.57 1p2k s ASN 72 Cb 0.00 -2.55 0.88 0.00 -0.55 0.00 0.00 41.25 39.03 1p2k s ASN 72 CO 0.00 -1.44 1.67 2.30 -2.79 0.00 0.00 177.10 176.84 1p2k n ILE 73 N 6.78 0.62 1.04 -5.21 -5.35 0.12 -3.00 119.36 114.36 1p2k n ILE 73 Ca 0.11 0.12 0.12 0.00 -0.27 0.00 0.00 62.75 62.82 1p2k n ILE 73 Cb 0.49 -0.82 0.07 0.00 -1.74 0.00 0.00 39.64 37.64 1p2k n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1p2k n ASN 74 N -1.65 2.17 -3.90 7.28 3.02 -1.26 -4.94 115.26 115.98 1p2k n ASN 74 Ca 0.05 -1.58 -0.14 0.00 -0.03 0.00 0.00 54.58 52.87 1p2k n ASN 74 Cb 0.25 0.31 -0.14 0.00 -0.61 0.00 0.00 39.78 39.59 1p2k n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1p2k s VAL 75 N -2.35 0.20 -0.34 2.41 1.01 -1.16 -5.11 120.40 115.06 1p2k s VAL 75 Ca 0.22 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 1p2k s VAL 75 Cb 0.19 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.39 1p2k s VAL 75 CO 0.49 0.07 1.23 -0.69 0.00 0.00 0.00 175.10 176.21 1p2k s VAL 76 N 0.10 4.21 -1.45 2.92 1.01 -1.26 -4.70 120.40 121.23 1p2k s VAL 76 Ca -0.01 1.35 0.19 0.00 0.00 0.00 0.00 61.98 63.51 1p2k s VAL 76 Cb -0.03 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1p2k s VAL 76 CO -0.00 -0.58 0.90 -0.62 0.00 0.00 0.00 175.10 174.79 1p2k n GLU 77 N 7.36 1.33 0.00 2.72 1.02 -1.26 -5.01 120.64 126.79 1p2k n GLU 77 Ca 0.14 -0.61 0.00 0.00 -0.02 0.00 0.00 57.16 56.67 1p2k n GLU 77 Cb 0.47 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1p2k n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p2k n GLY 78 N 1.33 0.52 0.22 0.62 0.00 -1.26 -4.94 105.19 101.67 1p2k n GLY 78 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 1p2k n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p2k n ASN 79 N 0.00 2.20 -4.83 1.61 3.02 -1.26 -5.05 115.26 110.96 1p2k n ASN 79 Ca 0.00 -1.90 -0.33 0.00 -0.03 0.00 0.00 54.58 52.33 1p2k n ASN 79 Cb 0.00 -0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.06 1p2k n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1p2k s GLU 80 N -0.92 3.92 -0.12 3.52 8.01 -1.25 -4.38 118.70 127.48 1p2k s GLU 80 Ca 0.08 1.06 -0.03 0.00 0.01 0.00 0.00 54.97 56.09 1p2k s GLU 80 Cb 0.04 -2.13 0.04 0.00 -4.31 0.00 0.00 34.13 27.78 1p2k s GLU 80 CO 0.05 -0.30 0.04 -0.65 0.01 0.00 0.00 175.26 174.42 1p2k s GLN 81 N -3.80 0.36 -0.33 1.61 -0.21 -0.48 -4.98 119.66 111.83 1p2k s GLN 81 Ca 0.61 -0.03 -0.11 0.00 0.02 0.00 0.00 55.36 55.84 1p2k s GLN 81 Cb -0.11 -1.41 -0.01 0.00 1.00 0.00 0.00 33.01 32.48 1p2k s GLN 81 CO 0.27 -0.49 0.20 -0.06 -2.12 0.00 0.00 175.29 173.09 1p2k s PHE 82 N 2.02 3.21 -0.08 0.91 2.99 -1.26 -0.92 117.98 124.85 1p2k s PHE 82 Ca 0.03 -0.48 0.01 0.00 0.00 0.00 0.00 56.93 56.49 1p2k s PHE 82 Cb -0.14 -2.42 0.02 0.00 0.00 0.00 0.00 43.02 40.47 1p2k s PHE 82 CO -0.06 -0.45 -0.10 0.42 -0.00 0.00 0.00 175.22 175.03 1p2k s ILE 83 N 1.65 1.03 0.48 0.64 1.01 -0.03 -4.97 121.20 121.00 1p2k s ILE 83 Ca 0.05 -0.38 -0.21 0.00 0.00 0.00 0.00 60.65 60.11 1p2k s ILE 83 Cb -0.17 -0.98 -0.08 0.00 0.01 0.00 0.00 42.46 41.24 1p2k s ILE 83 CO 0.08 0.34 1.06 -0.44 0.00 0.00 0.00 174.94 175.99 1p2k s SER 84 N 0.99 6.29 0.22 3.58 0.01 -1.26 -0.02 113.70 123.51 1p2k s SER 84 Ca -0.09 2.01 -0.30 0.00 1.31 0.00 0.00 55.95 58.89 1p2k s SER 84 Cb -0.15 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.43 1p2k s SER 84 CO -0.00 -0.82 1.07 0.00 0.41 0.00 0.00 173.24 173.90 1p2k s ALA 85 N -1.87 3.37 -0.06 1.44 0.00 -0.52 -0.64 121.76 123.48 1p2k s ALA 85 Ca 0.66 0.80 0.18 0.00 0.00 0.00 0.00 51.96 53.60 1p2k s ALA 85 Cb -0.19 -3.32 -0.27 0.00 0.00 0.00 0.00 23.12 19.34 1p2k s ALA 85 CO 0.23 -0.12 0.32 -1.13 0.00 0.00 0.00 175.76 175.06 1p2k n SER 86 N 1.85 0.80 -3.74 0.00 3.41 0.43 -4.72 113.62 111.66 1p2k n SER 86 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.49 1p2k n SER 86 Cb 0.46 1.61 -0.10 0.00 -0.26 0.00 0.00 64.21 65.91 1p2k n SER 86 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1p2k s LYS 87 N -3.06 0.43 -0.35 4.33 1.02 -1.19 -4.98 119.74 115.94 1p2k s LYS 87 Ca -0.07 0.54 -0.00 0.00 0.02 0.00 0.00 55.97 56.46 1p2k s LYS 87 Cb 0.10 0.19 0.11 0.00 -0.52 0.00 0.00 37.83 37.72 1p2k s LYS 87 CO 0.75 -0.06 0.15 -1.12 -0.92 0.00 0.00 175.35 174.14 1p2k s SER 88 N 0.30 3.80 -0.45 2.83 0.01 -1.26 -0.31 113.70 118.62 1p2k s SER 88 Ca -0.01 -1.94 -0.16 0.00 1.31 0.00 0.00 55.95 55.15 1p2k s SER 88 Cb -0.03 -0.84 0.05 0.00 0.21 0.00 0.00 66.02 65.41 1p2k s SER 88 CO -0.01 -0.37 0.42 -0.63 0.41 0.00 0.00 173.24 173.07 1p2k s ILE 89 N 1.25 5.14 0.31 1.44 1.01 0.60 -4.95 121.20 125.99 1p2k s ILE 89 Ca 0.13 -0.69 -0.23 0.00 0.00 0.00 0.00 60.65 59.85 1p2k s ILE 89 Cb -0.20 -4.09 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 1p2k s ILE 89 CO -0.16 -0.52 0.87 -0.69 0.00 0.00 0.00 174.94 174.44 1p2k s VAL 90 N 1.94 4.37 0.20 2.92 1.01 -1.26 -0.78 120.40 128.80 1p2k s VAL 90 Ca 0.08 1.57 -0.33 0.00 0.00 0.00 0.00 61.98 63.30 1p2k s VAL 90 Cb -0.20 -3.89 -0.14 0.00 0.00 0.00 0.00 36.38 32.15 1p2k s VAL 90 CO 0.10 0.09 1.50 1.57 0.00 0.00 0.00 175.10 178.35 1p2k n HIS 91 N 0.41 2.23 0.31 5.22 -0.00 -0.68 -4.82 115.22 117.89 1p2k n HIS 91 Ca 0.01 0.35 0.19 0.00 0.46 0.00 0.00 57.72 58.73 1p2k n HIS 91 Cb 0.51 -2.50 0.97 0.00 -0.12 0.00 0.00 29.99 28.85 1p2k n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1p2k h PRO 92 N 5.09 0.00 -0.41 1.57 0.13 -1.93 -1.57 132.00 134.88 1p2k h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1p2k h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1p2k h PRO 92 CO 0.82 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.02 1p2k n SER 93 N -3.16 3.59 -4.72 1.44 7.64 -1.26 -5.00 113.62 112.16 1p2k n SER 93 Ca -0.01 -2.33 -0.43 0.00 1.01 0.00 0.00 58.87 57.11 1p2k n SER 93 Cb 0.26 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 1p2k n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p2k n TYR 94 N 0.47 2.70 -3.82 1.43 4.19 -0.59 -4.70 117.16 116.83 1p2k n TYR 94 Ca 0.18 0.11 -0.36 0.00 3.31 0.00 0.00 57.90 61.13 1p2k n TYR 94 Cb 0.64 -2.64 -0.13 0.00 0.49 0.00 0.00 39.34 37.70 1p2k n TYR 94 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1p2k s ASN 95 N 1.01 5.05 0.00 2.98 3.84 -0.73 -4.98 114.94 122.11 1p2k s ASN 95 Ca 0.74 -1.09 0.15 0.00 0.21 0.00 0.00 52.86 52.87 1p2k s ASN 95 Cb -0.53 -1.80 0.79 0.00 -0.55 0.00 0.00 41.25 39.17 1p2k s ASN 95 CO 0.36 -0.26 1.42 -1.54 -2.79 0.00 0.00 177.10 174.29 1p2k n SER 96 N 4.74 0.00 -0.14 -4.21 3.41 -1.26 0.00 113.62 116.17 1p2k n SER 96 Ca -0.13 0.01 -0.28 0.00 -0.26 0.00 0.00 58.87 58.20 1p2k n SER 96 Cb 0.45 -0.25 -0.10 0.00 -0.26 0.00 0.00 64.21 64.04 1p2k n SER 96 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1p2k n ASN 97 N -1.25 1.96 0.07 4.04 3.02 -1.26 -4.56 115.26 117.28 1p2k n ASN 97 Ca 0.08 0.26 0.12 0.00 -0.03 0.00 0.00 54.58 55.00 1p2k n ASN 97 Cb 0.11 -0.75 0.09 0.00 -0.61 0.00 0.00 39.78 38.63 1p2k n ASN 97 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1p2k h THR 98 N -0.82 0.00 -0.06 3.41 1.35 -1.99 -3.47 112.91 111.32 1p2k h THR 98 Ca -0.68 -0.66 -0.03 0.00 -0.55 0.00 0.00 66.41 64.49 1p2k h THR 98 Cb 1.67 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 1p2k h THR 98 CO -0.37 0.00 -0.03 0.18 -0.25 0.00 0.00 175.52 175.06 1p2k n LEU 99 N -2.29 0.16 -4.77 3.87 4.77 0.10 -4.99 117.00 113.86 1p2k n LEU 99 Ca 0.02 0.03 -0.40 0.00 -0.03 0.00 0.00 56.01 55.64 1p2k n LEU 99 Cb 0.48 -1.18 -0.01 0.00 -2.33 0.00 0.00 43.42 40.37 1p2k n LEU 99 CO 0.38 -0.33 0.94 0.21 -1.33 0.00 0.00 177.39 177.26 1p2k s ASN 100 N -2.18 6.54 -1.03 -1.43 2.47 -1.22 -3.21 114.94 114.87 1p2k s ASN 100 Ca 0.00 2.60 -0.04 0.00 0.42 0.00 0.00 52.86 55.84 1p2k s ASN 100 Cb 0.00 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 1p2k s ASN 100 CO 0.00 -0.68 0.89 0.59 -3.72 0.00 0.00 177.10 174.17 1p2k n ASN 101 N 0.40 -4.06 -3.95 -4.21 3.02 -1.26 -1.77 115.26 103.43 1p2k n ASN 101 Ca 0.02 -0.46 -0.42 0.00 -0.03 0.00 0.00 54.58 53.69 1p2k n ASN 101 Cb 0.43 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 1p2k n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1p2k n ASP 102 N -2.35 4.19 -3.88 6.41 2.03 -1.20 -4.26 116.55 117.49 1p2k n ASP 102 Ca -0.09 -2.87 -0.11 0.00 0.52 0.00 0.00 54.79 52.24 1p2k n ASP 102 Cb 0.58 -1.68 -0.12 0.00 -0.72 0.00 0.00 41.12 39.19 1p2k n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1p2k s ILE 103 N 3.34 0.05 -0.04 5.18 2.07 -1.26 -3.66 121.20 126.88 1p2k s ILE 103 Ca 0.48 -0.44 -0.06 0.00 -1.41 0.00 0.00 60.65 59.23 1p2k s ILE 103 Cb 0.11 -0.27 0.01 0.00 0.13 0.00 0.00 42.46 42.45 1p2k s ILE 103 CO -0.04 -0.24 0.15 -0.32 -1.91 0.00 0.00 174.94 172.57 1p2k s MET 104 N -0.78 0.24 -0.15 3.50 -2.45 0.16 -1.69 119.30 118.14 1p2k s MET 104 Ca -0.09 0.07 -0.02 0.00 -1.25 0.00 0.00 55.69 54.40 1p2k s MET 104 Cb -0.05 0.11 -0.02 0.00 1.25 0.00 0.00 34.83 36.12 1p2k s MET 104 CO 0.00 -0.04 -0.07 -0.51 1.05 0.00 0.00 175.02 175.45 1p2k s LEU 105 N -0.25 3.05 -0.17 4.11 1.43 0.04 -0.63 118.68 126.25 1p2k s LEU 105 Ca -0.03 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1p2k s LEU 105 Cb -0.03 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 1p2k s LEU 105 CO 0.00 0.17 -0.11 -0.63 0.23 0.00 0.00 176.35 176.01 1p2k s ILE 106 N 0.37 2.94 -0.03 -0.59 1.01 0.35 -0.30 121.20 124.94 1p2k s ILE 106 Ca -0.07 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 1p2k s ILE 106 Cb -0.15 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 1p2k s ILE 106 CO 0.04 0.49 0.43 -0.75 0.00 0.00 0.00 174.94 175.15 1p2k s LYS 107 N 0.98 4.07 0.13 2.79 2.20 0.58 -0.92 119.74 129.57 1p2k s LYS 107 Ca -0.02 0.43 -0.23 0.00 -0.36 0.00 0.00 55.97 55.80 1p2k s LYS 107 Cb -0.15 -3.29 -0.07 0.00 -1.51 0.00 0.00 37.83 32.81 1p2k s LYS 107 CO -0.01 0.52 0.69 -0.51 -0.36 0.00 0.00 175.35 175.67 1p2k s LEU 108 N -0.55 4.56 0.47 5.43 1.43 0.63 -0.42 118.68 130.24 1p2k s LEU 108 Ca 0.24 1.48 0.12 0.00 -1.03 0.00 0.00 54.13 54.94 1p2k s LEU 108 Cb -0.16 -3.13 1.08 0.00 0.03 0.00 0.00 46.19 44.01 1p2k s LEU 108 CO 0.12 0.24 2.10 0.50 0.23 0.00 0.00 176.35 179.54 1p2k h LYS 109 N 4.40 0.26 -4.55 1.70 3.64 -1.16 -3.43 116.57 117.44 1p2k h LYS 109 Ca -0.48 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 58.64 1p2k h LYS 109 Cb 1.21 -0.06 -0.18 0.00 -0.41 0.00 0.00 32.23 32.79 1p2k h LYS 109 CO 0.65 0.17 -0.71 -1.54 -2.27 0.00 0.00 179.45 175.75 1p2k s SER 110 N -6.85 0.91 0.26 4.20 1.04 -1.26 -5.00 113.70 107.00 1p2k s SER 110 Ca -0.07 -0.75 -0.29 0.00 0.48 0.00 0.00 55.95 55.32 1p2k s SER 110 Cb 0.17 0.07 -0.09 0.00 0.10 0.00 0.00 66.02 66.27 1p2k s SER 110 CO 0.70 -0.33 1.22 0.00 0.98 0.00 0.00 173.24 175.81 1p2k s ALA 111 N -2.39 3.46 0.43 5.32 0.00 -1.26 -4.85 121.76 122.47 1p2k s ALA 111 Ca -0.01 1.05 -0.22 0.00 0.00 0.00 0.00 51.96 52.78 1p2k s ALA 111 Cb -0.03 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 1p2k s ALA 111 CO -0.02 -0.41 1.00 0.00 0.00 0.00 0.00 175.76 176.33 1p2k s ALA 112 N -0.68 3.00 -0.35 0.00 0.00 0.11 -5.00 121.76 118.83 1p2k s ALA 112 Ca 0.50 0.56 -0.23 0.00 0.00 0.00 0.00 51.96 52.78 1p2k s ALA 112 Cb -0.35 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1p2k s ALA 112 CO 0.43 -0.10 0.79 -1.12 0.00 0.00 0.00 175.76 175.75 1p2k s SER 113 N -1.92 6.57 -0.12 0.00 0.01 -1.26 -4.84 113.70 112.13 1p2k s SER 113 Ca 0.62 0.41 -0.16 0.00 1.31 0.00 0.00 55.95 58.12 1p2k s SER 113 Cb -0.15 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 1p2k s SER 113 CO 0.20 -0.71 0.40 -0.76 0.41 0.00 0.00 173.24 172.77 1p2k s LEU 114 N 3.08 4.28 0.00 2.44 1.43 -1.26 -4.77 118.68 123.89 1p2k s LEU 114 Ca 0.32 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 1p2k s LEU 114 Cb -0.13 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1p2k s LEU 114 CO 0.16 0.07 0.00 -3.20 0.23 0.00 0.00 176.35 173.61 1p2k n ASN 115 N 3.46 0.00 0.00 2.29 5.15 -0.52 -5.00 115.26 120.64 1p2k n ASN 115 Ca -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 1p2k n ASN 115 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1p2k n ASN 115 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1p2k n SER 116 N 0.00 0.00 0.10 1.20 2.88 -1.26 -4.04 113.62 112.51 1p2k n SER 116 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1p2k n SER 116 Cb 0.00 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 63.85 1p2k n SER 116 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1p2k n ARG 117 N 0.00 0.26 -3.76 -1.46 1.74 -1.26 -4.58 116.66 107.60 1p2k n ARG 117 Ca 0.00 0.21 -0.27 0.00 -0.77 0.00 0.00 57.85 57.01 1p2k n ARG 117 Cb 0.00 -1.80 -0.17 0.00 -1.02 0.00 0.00 32.46 29.48 1p2k n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1p2k s VAL 118 N -3.10 0.60 0.07 1.55 1.01 -1.26 -4.43 120.40 114.83 1p2k s VAL 118 Ca 0.10 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1p2k s VAL 118 Cb 0.12 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1p2k s VAL 118 CO 0.60 -0.14 0.15 0.00 0.00 0.00 0.00 175.10 175.71 1p2k s ALA 119 N 1.83 -0.13 0.45 5.51 0.00 -0.91 -1.44 121.76 127.07 1p2k s ALA 119 Ca -0.01 -0.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 1p2k s ALA 119 Cb -0.17 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1p2k s ALA 119 CO -0.08 -0.43 0.75 -1.54 0.00 0.00 0.00 175.76 174.46 1p2k s SER 120 N -2.60 6.30 -0.06 0.00 1.04 -1.26 -2.80 113.70 114.32 1p2k s SER 120 Ca 0.02 0.89 0.03 0.00 0.48 0.00 0.00 55.95 57.36 1p2k s SER 120 Cb 0.03 -2.23 -0.03 0.00 0.10 0.00 0.00 66.02 63.90 1p2k s SER 120 CO -0.08 -0.51 -0.13 -0.51 0.98 0.00 0.00 173.24 172.98 1p2k s ILE 121 N -2.62 3.12 0.46 -1.02 1.10 0.26 -4.88 121.20 117.62 1p2k s ILE 121 Ca 0.47 -0.69 -0.22 0.00 -0.51 0.00 0.00 60.65 59.69 1p2k s ILE 121 Cb -0.10 -2.24 -0.08 0.00 0.15 0.00 0.00 42.46 40.19 1p2k s ILE 121 CO 0.42 0.59 1.10 -0.44 -2.11 0.00 0.00 174.94 174.50 1p2k s SER 122 N -0.64 6.30 0.52 4.50 0.01 -1.26 -4.55 113.70 118.59 1p2k s SER 122 Ca 0.09 2.14 -0.09 0.00 1.31 0.00 0.00 55.95 59.40 1p2k s SER 122 Cb -0.11 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 1p2k s SER 122 CO 0.01 -0.82 0.89 -0.76 0.41 0.00 0.00 173.24 172.97 1p2k s LEU 123 N -3.12 3.51 0.56 2.44 1.43 -1.26 -0.92 118.68 121.32 1p2k s LEU 123 Ca 0.64 1.19 -0.17 0.00 -1.03 0.00 0.00 54.13 54.76 1p2k s LEU 123 Cb -0.24 -4.17 -0.05 0.00 0.03 0.00 0.00 46.19 41.76 1p2k s LEU 123 CO 0.29 -0.66 1.05 -2.16 0.23 0.00 0.00 176.35 175.09 1p2k s PRO 124 N -4.72 3.47 -0.02 1.29 0.04 -1.26 -4.73 135.00 129.07 1p2k s PRO 124 Ca 0.52 1.22 0.19 0.00 0.04 0.00 0.00 61.00 62.97 1p2k s PRO 124 Cb -0.11 -2.05 -0.28 0.00 0.04 0.00 0.00 34.50 32.10 1p2k s PRO 124 CO 0.45 -0.69 0.53 0.25 0.04 0.00 0.00 177.00 177.59 1p2k n THR 125 N -1.77 0.00 -3.53 1.26 -2.24 -1.26 -4.95 114.28 101.79 1p2k n THR 125 Ca 0.09 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1p2k n THR 125 Cb 0.53 0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 1p2k n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1p2k s SER 127 N -3.84 -0.45 0.68 3.42 1.04 -1.26 -5.17 113.70 108.12 1p2k s SER 127 Ca -0.03 0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.30 1p2k s SER 127 Cb 0.13 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.78 1p2k s SER 127 CO 0.80 -0.83 1.09 0.00 0.98 0.00 0.00 173.24 175.28 1p2k s ALA 129 N -2.61 3.63 0.34 0.00 0.00 -1.26 -5.09 121.76 116.77 1p2k s ALA 129 Ca 0.63 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 1p2k s ALA 129 Cb -0.18 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 1p2k s ALA 129 CO 0.46 0.53 0.56 -1.54 0.00 0.00 0.00 175.76 175.78 1p2k s SER 130 N -2.14 6.33 0.41 0.00 1.04 -1.26 -5.02 113.70 113.06 1p2k s SER 130 Ca 0.42 0.55 -0.25 0.00 0.48 0.00 0.00 55.95 57.15 1p2k s SER 130 Cb -0.13 -2.07 -0.10 0.00 0.10 0.00 0.00 66.02 63.82 1p2k s SER 130 CO 0.21 -0.28 1.14 0.00 0.98 0.00 0.00 173.24 175.29 1p2k n ALA 132 N -1.57 0.72 0.00 5.32 0.00 -1.26 -1.96 120.51 121.76 1p2k n ALA 132 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1p2k n ALA 132 Cb 0.55 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1p2k n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p2k n GLY 133 N 1.00 2.47 3.71 0.00 0.00 0.93 -4.95 105.19 108.35 1p2k n GLY 133 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1p2k n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p2k s THR 134 N -2.37 2.58 0.08 2.61 2.01 -0.83 -4.64 115.64 115.09 1p2k s THR 134 Ca 0.00 0.29 -0.29 0.00 0.31 0.00 0.00 61.69 62.00 1p2k s THR 134 Cb 0.00 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 1p2k s THR 134 CO 0.00 0.01 0.94 -1.58 -0.69 0.00 0.00 174.62 173.30 1p2k s GLN 135 N 1.83 4.65 0.21 4.92 2.00 -1.26 -1.33 119.66 130.67 1p2k s GLN 135 Ca 0.74 1.40 0.02 0.00 -2.00 0.00 0.00 55.36 55.52 1p2k s GLN 135 Cb -0.44 -3.39 -0.05 0.00 0.80 0.00 0.00 33.01 29.93 1p2k s GLN 135 CO 0.33 0.17 0.03 0.00 -0.50 0.00 0.00 175.29 175.32 1p2k s LEU 137 N -3.25 2.87 -0.09 0.00 2.96 0.96 -1.32 118.68 120.82 1p2k s LEU 137 Ca 0.29 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1p2k s LEU 137 Cb 0.07 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 1p2k s LEU 137 CO 0.08 -0.01 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.37 1p2k s ILE 138 N 1.43 3.39 0.06 6.68 1.01 0.32 -1.36 121.20 132.74 1p2k s ILE 138 Ca 0.05 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 1p2k s ILE 138 Cb -0.14 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1p2k s ILE 138 CO -0.03 0.57 -0.00 -0.94 0.00 0.00 0.00 174.94 174.53 1p2k s SER 139 N -0.38 0.44 0.00 3.58 1.04 -1.20 -0.66 113.70 116.52 1p2k s SER 139 Ca 0.05 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1p2k s SER 139 Cb -0.12 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1p2k s SER 139 CO 0.02 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1p2k n GLY 140 N 0.07 0.34 1.19 7.32 0.00 -0.82 -4.40 105.19 108.90 1p2k n GLY 140 Ca -0.13 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 44.84 1p2k n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1p2k n TRP 141 N -0.57 1.30 -1.51 1.61 8.01 -1.26 -1.97 117.44 123.05 1p2k n TRP 141 Ca 0.00 -1.12 -0.30 0.00 -1.31 0.00 0.00 57.50 54.77 1p2k n TRP 141 Cb 0.00 -0.44 0.20 0.00 -2.01 0.00 0.00 31.31 29.06 1p2k n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1p2k s GLY 142 N -1.89 1.66 0.27 6.99 0.00 -1.25 -4.37 107.32 108.73 1p2k s GLY 142 Ca 0.46 -0.96 -0.29 0.00 0.00 0.00 0.00 44.72 43.92 1p2k s GLY 142 CO 0.08 -0.19 1.09 -2.01 0.00 0.00 0.00 173.10 172.06 1p2k n ASN 143 N -4.17 1.56 -0.83 1.64 5.15 -0.05 -2.91 115.26 115.65 1p2k n ASN 143 Ca 0.13 1.17 0.08 0.00 -0.60 0.00 0.00 54.58 55.36 1p2k n ASN 143 Cb 0.59 -1.31 0.16 0.00 -0.53 0.00 0.00 39.78 38.70 1p2k n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1p2k n THR 144 N 0.53 0.58 -4.93 -0.44 -2.24 -0.27 -1.32 114.28 106.19 1p2k n THR 144 Ca 0.10 -0.79 -0.33 0.00 -2.27 0.00 0.00 64.05 60.76 1p2k n THR 144 Cb 0.31 0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 69.26 1p2k n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1p2k s LYS 145 N -1.16 2.64 0.36 -0.78 -0.14 -1.26 -4.39 119.74 115.01 1p2k s LYS 145 Ca 0.28 -0.72 0.22 0.00 -1.36 0.00 0.00 55.97 54.38 1p2k s LYS 145 Cb 0.16 -2.39 0.23 0.00 -1.68 0.00 0.00 37.83 34.15 1p2k s LYS 145 CO 0.22 0.53 1.45 0.66 -0.76 0.00 0.00 175.35 177.45 1p2k h SER 146 N 5.65 0.00 -3.27 2.83 4.64 -1.93 -3.41 113.55 118.06 1p2k h SER 146 Ca -0.41 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.38 1p2k h SER 146 Cb 1.16 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.85 1p2k h SER 146 CO 0.51 0.06 -0.76 -0.94 -0.87 0.00 0.00 176.83 174.83 1p2k s SER 147 N -6.04 3.02 0.00 4.97 1.04 -1.26 -4.63 113.70 110.80 1p2k s SER 147 Ca 0.05 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1p2k s SER 147 Cb 0.06 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.56 1p2k s SER 147 CO 0.71 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.22 1p2k n GLY 148 N 5.03 -1.32 2.84 7.32 0.00 -1.26 -5.01 105.19 112.78 1p2k n GLY 148 Ca -0.09 -2.10 -0.16 0.00 0.00 0.00 0.00 46.02 43.67 1p2k n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p2k s THR 149 N 0.00 0.20 -0.27 2.61 -4.23 -1.26 -4.67 115.64 108.02 1p2k s THR 149 Ca 0.00 0.03 -0.03 0.00 -1.18 0.00 0.00 61.69 60.51 1p2k s THR 149 Cb 0.00 -0.27 0.16 0.00 1.34 0.00 0.00 72.50 73.73 1p2k s THR 149 CO 0.00 0.13 0.51 -0.55 -0.54 0.00 0.00 174.62 174.17 1p2k s SER 150 N 0.78 -0.71 -0.21 3.99 0.15 -1.26 -4.99 113.70 111.44 1p2k s SER 150 Ca -0.08 0.73 -0.12 0.00 0.70 0.00 0.00 55.95 57.19 1p2k s SER 150 Cb -0.11 1.75 -0.05 0.00 -1.71 0.00 0.00 66.02 65.91 1p2k s SER 150 CO -0.01 -0.27 0.21 -0.31 1.20 0.00 0.00 173.24 174.06 1p2k s TYR 151 N 2.74 3.37 0.58 3.44 2.02 -1.26 -1.11 117.35 127.13 1p2k s TYR 151 Ca 0.14 0.37 -0.16 0.00 -0.37 0.00 0.00 57.07 57.04 1p2k s TYR 151 Cb -0.15 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.09 1p2k s TYR 151 CO -0.18 0.15 1.06 -1.25 -1.57 0.00 0.00 175.55 173.75 1p2k s PRO 152 N 0.81 3.36 -0.09 -1.71 0.04 -1.26 -4.99 135.00 131.15 1p2k s PRO 152 Ca 0.11 1.22 -0.20 0.00 0.04 0.00 0.00 61.00 62.17 1p2k s PRO 152 Cb -0.13 -2.04 -0.29 0.00 0.04 0.00 0.00 34.50 32.09 1p2k s PRO 152 CO 0.03 -0.78 0.71 -0.44 0.04 0.00 0.00 177.00 176.56 1p2k h ASP 153 N 0.54 0.37 -2.24 6.66 3.32 -1.94 -3.46 116.42 119.66 1p2k h ASP 153 Ca -0.47 -0.89 -0.46 0.00 0.02 0.00 0.00 57.03 55.23 1p2k h ASP 153 Cb 1.22 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1p2k h ASP 153 CO 0.58 1.45 -0.31 0.68 -1.72 0.00 0.00 179.24 179.92 1p2k s VAL 154 N -2.42 4.67 0.26 -1.35 -7.23 -1.26 -0.70 120.40 112.36 1p2k s VAL 154 Ca -0.17 -0.83 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 1p2k s VAL 154 Cb 0.02 -3.66 -0.10 0.00 0.56 0.00 0.00 36.38 33.20 1p2k s VAL 154 CO 0.78 -0.31 1.45 -0.22 -0.31 0.00 0.00 175.10 176.49 1p2k s LEU 155 N -4.18 4.38 0.05 1.32 2.96 -1.17 -4.86 118.68 117.17 1p2k s LEU 155 Ca 0.41 2.70 0.03 0.00 -0.22 0.00 0.00 54.13 57.05 1p2k s LEU 155 Cb -0.09 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1p2k s LEU 155 CO 0.32 -0.72 0.02 -0.54 -1.32 0.00 0.00 176.35 174.11 1p2k s LYS 156 N -0.50 2.72 0.13 1.98 -0.14 -0.83 -2.23 119.74 120.87 1p2k s LYS 156 Ca 0.59 -0.71 0.09 0.00 -1.36 0.00 0.00 55.97 54.58 1p2k s LYS 156 Cb -0.42 -2.64 -0.04 0.00 -1.68 0.00 0.00 37.83 33.05 1p2k s LYS 156 CO 0.45 0.58 -0.22 0.00 -0.76 0.00 0.00 175.35 175.40 1p2k s LEU 158 N -2.15 0.02 -0.20 0.00 2.96 0.17 -0.27 118.68 119.21 1p2k s LEU 158 Ca 0.11 0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 54.63 1p2k s LEU 158 Cb -0.09 1.11 -0.04 0.00 0.50 0.00 0.00 46.19 47.67 1p2k s LEU 158 CO 0.05 -0.19 0.36 -0.54 -1.32 0.00 0.00 176.35 174.71 1p2k s LYS 159 N 1.51 4.18 -0.03 1.98 -0.14 -1.26 -0.52 119.74 125.45 1p2k s LYS 159 Ca -0.08 0.14 -0.14 0.00 -1.36 0.00 0.00 55.97 54.53 1p2k s LYS 159 Cb -0.10 -3.52 0.02 0.00 -1.68 0.00 0.00 37.83 32.56 1p2k s LYS 159 CO -0.11 0.01 0.31 0.00 -0.76 0.00 0.00 175.35 174.80 1p2k s ALA 160 N 1.16 -0.78 0.26 5.17 0.00 -0.43 -4.95 121.76 122.18 1p2k s ALA 160 Ca 0.18 0.43 -0.10 0.00 0.00 0.00 0.00 51.96 52.47 1p2k s ALA 160 Cb -0.14 -0.04 -0.07 0.00 0.00 0.00 0.00 23.12 22.87 1p2k s ALA 160 CO 0.07 -0.24 0.59 -1.25 0.00 0.00 0.00 175.76 174.93 1p2k s PRO 161 N -1.05 3.80 0.27 0.00 0.04 -1.26 -0.70 135.00 136.10 1p2k s PRO 161 Ca -0.11 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 60.93 1p2k s PRO 161 Cb -0.05 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.80 1p2k s PRO 161 CO 0.03 0.26 1.06 0.42 0.04 0.00 0.00 177.00 178.82 1p2k s ILE 162 N -1.92 3.62 0.26 0.56 1.01 -0.45 -1.63 121.20 122.65 1p2k s ILE 162 Ca 0.48 1.63 0.07 0.00 0.00 0.00 0.00 60.65 62.82 1p2k s ILE 162 Cb -0.11 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1p2k s ILE 162 CO 0.23 0.39 0.26 -0.76 0.00 0.00 0.00 174.94 175.05 1p2k s LEU 163 N -1.37 3.91 0.56 2.97 1.43 0.14 -0.05 118.68 126.27 1p2k s LEU 163 Ca 0.44 -0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 53.13 1p2k s LEU 163 Cb -0.31 -2.46 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 1p2k s LEU 163 CO 0.39 -0.10 1.21 -0.94 0.23 0.00 0.00 176.35 177.14 1p2k s SER 164 N -3.91 5.39 0.31 2.29 1.04 -1.26 -4.50 113.70 113.06 1p2k s SER 164 Ca 0.35 2.40 -0.01 0.00 0.48 0.00 0.00 55.95 59.17 1p2k s SER 164 Cb -0.08 -2.60 0.49 0.00 0.10 0.00 0.00 66.02 63.93 1p2k s SER 164 CO 0.26 -1.46 1.96 -0.78 0.98 0.00 0.00 173.24 174.20 1p2k h ASP 165 N 1.16 0.91 -0.54 7.02 3.58 -1.96 -0.98 116.42 125.61 1p2k h ASP 165 Ca -0.50 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 56.93 1p2k h ASP 165 Cb 1.29 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 42.09 1p2k h ASP 165 CO 0.56 0.64 0.33 -1.28 -2.88 0.00 0.00 179.24 176.62 1p2k h SER 166 N 1.07 0.64 0.20 2.28 0.87 -1.99 -0.60 113.55 116.01 1p2k h SER 166 Ca 0.32 -0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.69 1p2k h SER 166 Cb -0.03 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1p2k h SER 166 CO -0.09 0.49 -0.53 0.77 -0.53 0.00 0.00 176.83 176.94 1p2k h SER 167 N 0.72 0.40 -0.26 6.23 4.64 -1.78 -1.74 113.55 121.77 1p2k h SER 167 Ca 0.19 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1p2k h SER 167 Cb -0.04 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1p2k h SER 167 CO -0.04 0.86 0.09 0.00 -0.87 0.00 0.00 176.83 176.87 1p2k h LYS 169 N 0.25 0.03 -0.38 0.00 1.57 -1.05 -0.52 116.57 116.47 1p2k h LYS 169 Ca 0.08 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.71 1p2k h LYS 169 Cb 0.22 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1p2k h LYS 169 CO -0.00 0.40 -0.31 0.77 -0.57 0.00 0.00 179.45 179.73 1p2k h SER 170 N 0.03 0.88 -0.34 0.86 0.02 -0.96 -2.13 113.55 111.91 1p2k h SER 170 Ca 0.00 -0.36 -0.14 0.00 -0.84 0.00 0.00 61.79 60.45 1p2k h SER 170 Cb 0.67 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1p2k h SER 170 CO 0.05 1.12 -0.33 0.00 -1.14 0.00 0.00 176.83 176.53 1p2k h ALA 171 N 0.93 0.49 -2.60 3.77 0.00 -0.67 -3.37 119.26 117.81 1p2k h ALA 171 Ca 0.08 -0.42 -0.60 0.00 0.00 0.00 0.00 54.91 53.96 1p2k h ALA 171 Cb 0.87 -0.11 -0.41 0.00 0.00 0.00 0.00 17.79 18.14 1p2k h ALA 171 CO 0.08 0.55 -0.73 0.66 0.00 0.00 0.00 179.25 179.80 1p2k n TYR 172 N -4.17 1.97 -1.65 0.00 4.02 -0.25 -4.99 117.16 112.08 1p2k n TYR 172 Ca -0.03 -3.96 -0.52 0.00 -0.01 0.00 0.00 57.90 53.38 1p2k n TYR 172 Cb 0.50 -0.37 -0.06 0.00 -0.02 0.00 0.00 39.34 39.39 1p2k n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1p2k n PRO 173 N 1.86 1.47 -1.42 -0.72 -0.02 -0.81 -2.04 135.00 133.32 1p2k n PRO 173 Ca 0.25 0.53 -0.14 0.00 -2.02 0.00 0.00 63.50 62.12 1p2k n PRO 173 Cb 0.41 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1p2k n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p2k n GLY 174 N 3.40 1.46 0.00 -1.23 0.00 -1.26 -4.84 105.19 102.72 1p2k n GLY 174 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1p2k n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p2k n GLN 175 N -2.17 3.77 -3.29 1.61 6.02 -0.86 -5.01 117.38 117.44 1p2k n GLN 175 Ca -0.14 -0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.44 1p2k n GLN 175 Cb 0.53 -0.74 -0.08 0.00 1.02 0.00 0.00 30.24 30.96 1p2k n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1p2k s ILE 176 N -1.49 5.09 0.59 5.09 -1.09 -1.25 -5.02 121.20 123.12 1p2k s ILE 176 Ca 0.00 0.59 0.04 0.00 -2.23 0.00 0.00 60.65 59.05 1p2k s ILE 176 Cb 0.00 -3.83 0.07 0.00 -1.58 0.00 0.00 42.46 37.13 1p2k s ILE 176 CO 0.02 0.01 0.82 0.42 -1.23 0.00 0.00 174.94 174.98 1p2k s THR 177 N 2.25 2.42 -1.03 2.92 -4.23 -1.26 -4.97 115.64 111.74 1p2k s THR 177 Ca 0.18 -0.78 0.10 0.00 -1.18 0.00 0.00 61.69 60.01 1p2k s THR 177 Cb -0.16 -2.63 0.09 0.00 1.34 0.00 0.00 72.50 71.14 1p2k s THR 177 CO 0.11 0.00 1.32 -1.54 -0.54 0.00 0.00 174.62 173.97 1p2k n SER 178 N -2.39 0.00 -1.51 3.99 3.41 -1.26 -2.21 113.62 113.65 1p2k n SER 178 Ca 0.12 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.28 1p2k n SER 178 Cb 0.60 -0.48 0.35 0.00 -0.26 0.00 0.00 64.21 64.42 1p2k n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1p2k n ASN 179 N -1.48 4.98 -4.10 4.04 3.02 -1.26 -4.93 115.26 115.53 1p2k n ASN 179 Ca 0.03 -2.90 -0.14 0.00 -0.03 0.00 0.00 54.58 51.53 1p2k n ASN 179 Cb 0.12 -0.62 -0.11 0.00 -0.61 0.00 0.00 39.78 38.55 1p2k n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1p2k s MET 180 N -2.67 0.64 -0.00 3.52 -1.94 -0.94 -0.96 119.30 116.96 1p2k s MET 180 Ca 0.50 -0.87 -0.09 0.00 -1.71 0.00 0.00 55.69 53.51 1p2k s MET 180 Cb 0.38 -0.45 0.01 0.00 2.01 0.00 0.00 34.83 36.77 1p2k s MET 180 CO 0.14 0.09 0.19 -0.59 -0.01 0.00 0.00 175.02 174.84 1p2k s PHE 181 N -1.53 -0.02 0.24 -0.03 -0.12 -0.25 -4.77 117.98 111.50 1p2k s PHE 181 Ca -0.06 -0.02 -0.01 0.00 -0.05 0.00 0.00 56.93 56.79 1p2k s PHE 181 Cb -0.09 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 1p2k s PHE 181 CO 0.01 -0.32 0.44 0.00 -0.05 0.00 0.00 175.22 175.30 1p2k s ALA 183 N -1.96 -1.17 0.00 0.00 0.00 -0.82 -0.68 121.76 117.12 1p2k s ALA 183 Ca 0.40 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1p2k s ALA 183 Cb -0.11 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1p2k s ALA 183 CO 0.30 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1p2k n GLY 184 N 2.15 0.73 2.99 0.00 0.00 -0.65 -2.61 105.19 107.81 1p2k n GLY 184 Ca -0.16 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.74 1p2k n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p2k s TYR 184 N -2.54 1.59 0.47 1.61 1.51 -1.26 -4.37 117.35 114.35 1p2k s TYR 184 Ca 0.00 -0.70 0.34 0.00 -1.01 0.00 0.00 57.07 55.70 1p2k s TYR 184 Cb 0.00 -1.21 1.79 0.00 -0.11 0.00 0.00 41.96 42.44 1p2k s TYR 184 CO 0.00 -0.40 2.18 -0.07 -1.11 0.00 0.00 175.55 176.15 1p2k h LEU 185 N 7.45 0.00 -1.35 -1.29 3.38 -1.95 -1.84 115.31 119.72 1p2k h LEU 185 Ca -0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1p2k h LEU 185 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1p2k h LEU 185 CO 0.46 0.05 -0.04 1.05 0.09 0.00 0.00 178.44 180.04 1p2k h GLU 186 N 0.00 0.00 0.00 1.13 4.11 -1.95 0.11 114.58 117.98 1p2k h GLU 186 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1p2k h GLU 186 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1p2k h GLU 186 CO 0.01 0.04 0.00 0.41 0.07 0.00 0.00 179.01 179.54 1p2k n GLY 187 N 0.09 0.00 0.20 1.06 0.00 -0.69 -4.42 105.19 101.43 1p2k n GLY 187 Ca 0.01 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1p2k n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2k n GLY 188 N 0.06 3.35 2.84 -0.02 0.00 -0.11 -4.94 105.19 106.36 1p2k n GLY 188 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1p2k n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p2k s LYS 188 N -0.71 0.97 0.06 1.61 1.02 -1.26 -3.32 119.74 118.13 1p2k s LYS 188 Ca 0.00 -0.05 -0.28 0.00 0.02 0.00 0.00 55.97 55.66 1p2k s LYS 188 Cb 0.00 -1.18 0.09 0.00 -0.52 0.00 0.00 37.83 36.22 1p2k s LYS 188 CO 0.00 -0.26 1.15 0.34 -0.92 0.00 0.00 175.35 175.66 1p2k s ASP 189 N 1.75 -0.09 0.47 2.83 3.68 -0.57 -4.28 116.67 120.45 1p2k s ASP 189 Ca 0.03 -0.28 -0.04 0.00 2.13 0.00 0.00 52.55 54.39 1p2k s ASP 189 Cb -0.13 0.31 -0.03 0.00 -1.45 0.00 0.00 42.92 41.62 1p2k s ASP 189 CO -0.06 -0.58 0.75 -0.94 0.13 0.00 0.00 175.17 174.48 1p2k s SER 190 N -3.05 6.20 0.25 -0.34 1.04 -1.26 -0.24 113.70 116.30 1p2k s SER 190 Ca 0.15 0.81 -0.12 0.00 0.48 0.00 0.00 55.95 57.27 1p2k s SER 190 Cb 0.02 -2.14 -0.00 0.00 0.10 0.00 0.00 66.02 63.99 1p2k s SER 190 CO -0.01 -0.58 0.47 0.00 0.98 0.00 0.00 173.24 174.11 1p2k n GLN 192 N -0.39 0.00 0.00 0.00 3.00 -1.26 -0.93 117.38 117.80 1p2k n GLN 192 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1p2k n GLN 192 Cb 0.62 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.36 1p2k n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1p2k n GLY 193 N 5.25 1.63 0.09 1.08 0.00 -1.26 -0.87 105.19 111.11 1p2k n GLY 193 Ca 0.40 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.53 1p2k n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p2k n ASP 194 N 0.00 0.71 -4.46 1.61 10.43 -0.10 -3.87 116.55 120.86 1p2k n ASP 194 Ca 0.00 0.24 -0.46 0.00 2.57 0.00 0.00 54.79 57.14 1p2k n ASP 194 Cb 0.00 0.68 -0.02 0.00 1.84 0.00 0.00 41.12 43.62 1p2k n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1p2k n SER 195 N -2.55 -0.49 0.00 -2.24 7.64 -1.26 -1.51 113.62 113.21 1p2k n SER 195 Ca -0.00 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1p2k n SER 195 Cb 0.54 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1p2k n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p2k n GLY 196 N 1.75 2.72 3.67 0.23 0.00 0.18 0.28 105.19 114.01 1p2k n GLY 196 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1p2k n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p2k s GLY 197 N -1.74 1.58 0.35 -0.02 0.00 -0.57 -3.33 107.32 103.60 1p2k s GLY 197 Ca 0.00 -0.68 -0.14 0.00 0.00 0.00 0.00 44.72 43.89 1p2k s GLY 197 CO 0.00 0.05 0.76 2.56 0.00 0.00 0.00 173.10 176.47 1p2k s PRO 198 N -5.24 3.97 -0.30 2.90 0.04 -1.26 -1.58 135.00 133.53 1p2k s PRO 198 Ca 0.68 0.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.37 1p2k s PRO 198 Cb -0.14 -2.40 0.10 0.00 0.04 0.00 0.00 34.50 32.10 1p2k s PRO 198 CO 0.56 0.10 0.09 0.08 0.04 0.00 0.00 177.00 177.88 1p2k s VAL 199 N -2.08 0.80 -0.14 -0.36 1.01 -0.83 -3.23 120.40 115.56 1p2k s VAL 199 Ca 0.54 -1.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 1p2k s VAL 199 Cb -0.10 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1p2k s VAL 199 CO 0.20 -0.65 -0.02 -0.69 0.00 0.00 0.00 175.10 173.94 1p2k s VAL 200 N 1.66 4.10 -0.09 2.92 1.01 -0.46 -1.31 120.40 128.24 1p2k s VAL 200 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1p2k s VAL 200 Cb -0.17 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1p2k s VAL 200 CO -0.25 0.51 -0.07 0.00 0.00 0.00 0.00 175.10 175.29 1p2k n SER 202 N 4.58 -3.56 -0.22 0.00 7.64 -1.26 -1.56 113.62 119.23 1p2k n SER 202 Ca -0.16 -0.80 -0.03 0.00 1.01 0.00 0.00 58.87 58.89 1p2k n SER 202 Cb 0.51 -3.91 -0.01 0.00 -1.01 0.00 0.00 64.21 59.78 1p2k n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p2k n GLY 203 N -1.67 0.54 3.24 0.23 0.00 -1.26 -5.01 105.19 101.25 1p2k n GLY 203 Ca -0.07 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 1p2k n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p2k s LYS 204 N -1.48 1.75 -0.74 1.61 -0.14 -0.60 -4.01 119.74 116.13 1p2k s LYS 204 Ca 0.00 -0.77 -0.27 0.00 -1.36 0.00 0.00 55.97 53.57 1p2k s LYS 204 Cb 0.00 -1.69 0.03 0.00 -1.68 0.00 0.00 37.83 34.48 1p2k s LYS 204 CO 0.00 0.46 1.35 -1.17 -0.76 0.00 0.00 175.35 175.24 1p2k s LEU 209 N -0.51 3.19 0.04 3.17 2.96 -0.10 -0.95 118.68 126.48 1p2k s LEU 209 Ca 0.08 -0.42 0.19 0.00 -0.22 0.00 0.00 54.13 53.77 1p2k s LEU 209 Cb -0.08 -2.56 -0.17 0.00 0.50 0.00 0.00 46.19 43.88 1p2k s LEU 209 CO -0.01 -1.89 0.69 0.00 -1.32 0.00 0.00 176.35 173.82 1p2k n GLN 210 N 9.33 0.64 -4.02 1.98 1.13 -0.42 -4.16 117.38 121.86 1p2k n GLN 210 Ca 0.07 0.07 -0.09 0.00 -1.94 0.00 0.00 57.00 55.10 1p2k n GLN 210 Cb 0.49 -1.71 -0.08 0.00 0.11 0.00 0.00 30.24 29.06 1p2k n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1p2k s GLY 211 N -4.73 0.61 -0.07 1.08 0.00 -0.78 -1.67 107.32 101.77 1p2k s GLY 211 Ca -0.05 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.64 1p2k s GLY 211 CO 0.83 -1.01 -0.16 -0.42 0.00 0.00 0.00 173.10 172.34 1p2k s ILE 212 N -3.99 1.40 0.06 0.90 1.01 -1.07 -1.97 121.20 117.55 1p2k s ILE 212 Ca 0.18 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 1p2k s ILE 212 Cb 0.05 -1.24 -0.09 0.00 0.01 0.00 0.00 42.46 41.18 1p2k s ILE 212 CO -0.00 0.41 1.95 -0.69 0.00 0.00 0.00 174.94 176.61 1p2k s VAL 213 N 0.48 2.90 0.02 2.92 1.01 -0.61 -1.33 120.40 125.79 1p2k s VAL 213 Ca -0.14 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 1p2k s VAL 213 Cb -0.16 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 1p2k s VAL 213 CO 0.05 -0.00 -0.01 -0.24 0.00 0.00 0.00 175.10 174.90 1p2k n SER 214 N 7.16 0.34 -2.28 3.32 2.88 -1.03 -0.65 113.62 123.36 1p2k n SER 214 Ca 0.20 0.04 -0.08 0.00 -1.33 0.00 0.00 58.87 57.70 1p2k n SER 214 Cb 0.40 -0.13 -0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1p2k n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1p2k n TRP 215 N -2.80 -1.51 -2.65 0.66 4.27 -0.84 -4.93 117.44 109.63 1p2k n TRP 215 Ca -0.00 -1.43 0.00 0.00 -3.89 0.00 0.00 57.50 52.18 1p2k n TRP 215 Cb 0.01 0.50 0.00 0.00 -1.36 0.00 0.00 31.31 30.45 1p2k n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1p2k n GLY 216 N -0.38 1.13 2.55 -1.67 0.00 -1.26 -0.08 105.19 105.48 1p2k n GLY 216 Ca -0.03 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 1p2k n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p2k s SER 217 N 2.00 3.48 0.34 1.61 0.15 -1.26 -5.02 113.70 114.99 1p2k s SER 217 Ca 0.00 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.10 1p2k s SER 217 Cb 0.00 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1p2k s SER 217 CO 0.00 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1p2k n GLY 219 N 4.91 -1.43 2.96 9.45 0.00 -1.26 -4.65 105.19 115.16 1p2k n GLY 219 Ca -0.01 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 1p2k n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2k n ALA 221 N 4.37 -0.93 -2.28 0.00 0.00 -1.26 -4.56 120.51 115.85 1p2k n ALA 221 Ca -0.18 0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.14 1p2k n ALA 221 Cb 0.51 -3.19 -0.06 0.00 0.00 0.00 0.00 19.45 16.71 1p2k n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1p2k s GLN 221 N -5.61 3.95 0.34 0.00 -1.52 -1.26 -0.94 119.66 114.62 1p2k s GLN 221 Ca 0.25 0.51 -0.29 0.00 -1.95 0.00 0.00 55.36 53.88 1p2k s GLN 221 Cb -0.12 -2.66 -0.12 0.00 -0.22 0.00 0.00 33.01 29.89 1p2k s GLN 221 CO 0.31 0.31 1.45 1.17 -0.25 0.00 0.00 175.29 178.28 1p2k n LYS 222 N 0.08 2.47 -1.12 2.91 4.81 -1.26 -2.18 118.16 123.87 1p2k n LYS 222 Ca -0.00 0.87 -0.04 0.00 -0.87 0.00 0.00 58.31 58.27 1p2k n LYS 222 Cb 0.52 -2.56 -0.02 0.00 0.02 0.00 0.00 35.03 32.99 1p2k n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1p2k n ASN 223 N 1.06 -5.45 -3.48 3.14 3.02 0.38 -4.91 115.26 109.02 1p2k n ASN 223 Ca 0.05 0.10 -0.27 0.00 -0.03 0.00 0.00 54.58 54.44 1p2k n ASN 223 Cb 0.37 -3.32 -0.09 0.00 -0.61 0.00 0.00 39.78 36.12 1p2k n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1p2k n LYS 224 N -0.28 1.23 -1.28 3.52 5.02 -0.93 -4.80 118.16 120.64 1p2k n LYS 224 Ca -0.04 -3.84 -0.30 0.00 -2.02 0.00 0.00 58.31 52.12 1p2k n LYS 224 Cb 0.46 -1.84 0.14 0.00 -0.02 0.00 0.00 35.03 33.77 1p2k n LYS 224 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1p2k s PRO 225 N -1.17 1.26 0.53 1.97 0.04 -1.26 -4.36 135.00 132.01 1p2k s PRO 225 Ca 0.33 0.70 -0.18 0.00 0.04 0.00 0.00 61.00 61.89 1p2k s PRO 225 Cb 0.07 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 1p2k s PRO 225 CO -0.13 -2.21 1.03 0.20 0.04 0.00 0.00 177.00 175.93 1p2k s GLY 226 N -3.56 2.27 -0.08 0.56 0.00 -1.07 -4.64 107.32 100.81 1p2k s GLY 226 Ca 0.63 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.81 1p2k s GLY 226 CO 0.56 0.75 -0.10 0.14 0.00 0.00 0.00 173.10 174.45 1p2k s VAL 227 N -2.29 3.37 0.06 1.40 1.01 0.88 -1.94 120.40 122.90 1p2k s VAL 227 Ca 0.64 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1p2k s VAL 227 Cb -0.15 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1p2k s VAL 227 CO 0.28 0.57 -0.14 -0.31 0.00 0.00 0.00 175.10 175.51 1p2k s TYR 228 N -0.47 1.19 0.10 5.22 2.02 0.75 -1.98 117.35 124.17 1p2k s TYR 228 Ca 0.06 -0.44 -0.31 0.00 -0.37 0.00 0.00 57.07 56.02 1p2k s TYR 228 Cb -0.12 -0.67 -0.07 0.00 -0.40 0.00 0.00 41.96 40.70 1p2k s TYR 228 CO 0.02 0.05 1.24 0.99 -1.57 0.00 0.00 175.55 176.27 1p2k s THR 229 N -1.20 3.78 -1.08 -0.71 2.01 -0.45 -1.09 115.64 116.91 1p2k s THR 229 Ca -0.02 1.32 -0.21 0.00 0.31 0.00 0.00 61.69 63.09 1p2k s THR 229 Cb -0.10 -3.85 0.07 0.00 0.01 0.00 0.00 72.50 68.64 1p2k s THR 229 CO 0.02 0.13 1.48 -0.75 -0.69 0.00 0.00 174.62 174.81 1p2k s LYS 230 N 0.79 3.70 0.43 4.92 2.20 -0.14 -2.58 119.74 129.06 1p2k s LYS 230 Ca 0.59 -1.44 0.18 0.00 -0.36 0.00 0.00 55.97 54.94 1p2k s LYS 230 Cb -0.32 -5.35 1.11 0.00 -1.51 0.00 0.00 37.83 31.77 1p2k s LYS 230 CO 0.31 -2.16 1.89 0.28 -0.36 0.00 0.00 175.35 175.31 1p2k h VAL 231 N 6.34 0.72 -0.01 4.02 2.07 -1.62 -2.05 116.25 125.72 1p2k h VAL 231 Ca 0.26 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1p2k h VAL 231 Cb 0.97 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1p2k h VAL 231 CO 1.40 0.07 0.02 0.00 0.02 0.00 0.00 177.57 179.08 1p2k n ASN 233 N -3.52 0.14 -0.20 0.00 3.02 -0.77 -3.87 115.26 110.06 1p2k n ASN 233 Ca -0.03 -0.01 0.02 0.00 -0.03 0.00 0.00 54.58 54.53 1p2k n ASN 233 Cb 0.10 -0.27 0.04 0.00 -0.61 0.00 0.00 39.78 39.04 1p2k n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1p2k n TYR 234 N -1.32 0.09 -0.21 3.10 4.01 0.05 -4.78 117.16 118.11 1p2k n TYR 234 Ca 0.11 -0.28 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1p2k n TYR 234 Cb 0.29 -0.02 0.11 0.00 -0.31 0.00 0.00 39.34 39.41 1p2k n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1p2k h VAL 235 N 0.75 0.78 -0.26 -0.72 2.07 -1.65 0.20 116.25 117.42 1p2k h VAL 235 Ca 0.00 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1p2k h VAL 235 Cb 0.40 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1p2k h VAL 235 CO 0.00 0.08 0.15 -1.28 0.02 0.00 0.00 177.57 176.54 1p2k h SER 236 N 0.43 0.32 -0.56 0.57 0.87 -1.89 -1.69 113.55 111.61 1p2k h SER 236 Ca 0.31 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1p2k h SER 236 Cb 0.37 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 1p2k h SER 236 CO -0.30 0.30 0.29 -0.25 -0.53 0.00 0.00 176.83 176.35 1p2k h TRP 237 N 0.31 0.78 0.29 2.24 7.01 -1.72 -1.64 115.95 123.23 1p2k h TRP 237 Ca 0.09 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1p2k h TRP 237 Cb 0.05 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 26.86 1p2k h TRP 237 CO -0.04 0.58 -0.17 0.82 -2.79 0.00 0.00 178.44 176.85 1p2k h ILE 238 N 0.75 0.65 -0.49 2.65 2.04 -0.43 0.25 117.51 122.93 1p2k h ILE 238 Ca 0.20 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.08 1p2k h ILE 238 Cb 0.07 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1p2k h ILE 238 CO -0.03 0.00 0.29 0.11 0.00 0.00 0.00 178.15 178.52 1p2k h LYS 239 N -0.43 0.55 -0.29 2.37 1.57 -1.23 -0.95 116.57 118.15 1p2k h LYS 239 Ca -0.03 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 1p2k h LYS 239 Cb 0.35 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1p2k h LYS 239 CO 0.04 0.37 -0.41 0.37 -0.57 0.00 0.00 179.45 179.24 1p2k h GLN 240 N 0.57 0.72 -0.24 3.15 5.75 -1.22 -2.17 115.11 121.68 1p2k h GLN 240 Ca 0.20 -0.38 -0.06 0.00 -0.15 0.00 0.00 58.65 58.25 1p2k h GLN 240 Cb 0.03 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1p2k h GLN 240 CO -0.10 1.00 -0.09 1.15 -2.65 0.00 0.00 178.83 178.14 1p2k h THR 241 N 0.59 1.30 -0.77 2.39 2.02 -0.70 -1.82 112.91 115.91 1p2k h THR 241 Ca 0.05 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 1p2k h THR 241 Cb 0.96 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.87 1p2k h THR 241 CO 0.09 0.35 0.45 0.40 0.37 0.00 0.00 175.52 177.18 1p2k h ILE 242 N 0.21 1.22 0.00 3.11 2.04 -1.19 -2.48 117.51 120.42 1p2k h ILE 242 Ca 0.06 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1p2k h ILE 242 Cb 0.58 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1p2k h ILE 242 CO 0.03 0.23 -0.11 0.00 0.00 0.00 0.00 178.15 178.31 1p2k h ALA 243 N 1.24 1.03 -0.57 1.87 0.00 -1.30 -3.07 119.26 118.46 1p2k h ALA 243 Ca 0.27 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1p2k h ALA 243 Cb -0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 1p2k h ALA 243 CO -0.05 0.13 0.13 -1.13 0.00 0.00 0.00 179.25 178.34 1p2k n SER 244 N -3.27 4.53 0.00 0.00 3.41 -0.69 -5.09 113.62 112.51 1p2k n SER 244 Ca 0.00 -3.19 0.00 0.00 -0.26 0.00 0.00 58.87 55.42 1p2k n SER 244 Cb 0.35 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1p2k n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47