#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1i s VAL 17 N 0.00 5.27 -0.92 1.39 1.01 0.12 -4.09 120.40 123.17 1k1i s VAL 17 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1k1i s VAL 17 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1k1i s VAL 17 CO 0.00 0.46 0.17 0.61 0.00 0.00 0.00 175.10 176.33 1k1i n GLY 18 N 3.43 -0.04 0.00 4.51 0.00 -1.24 -1.56 105.19 110.29 1k1i n GLY 18 Ca -0.16 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1k1i n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1i n GLY 19 N -1.09 3.92 3.19 -0.02 0.00 -1.26 -4.82 105.19 105.10 1k1i n GLY 19 Ca -0.10 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 1k1i n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k1i s TYR 20 N 1.66 0.97 -0.18 1.61 -0.85 -0.09 -4.94 117.35 115.53 1k1i s TYR 20 Ca 0.00 -0.93 -0.29 0.00 -0.52 0.00 0.00 57.07 55.32 1k1i s TYR 20 Cb 0.00 -0.56 -0.02 0.00 0.38 0.00 0.00 41.96 41.76 1k1i s TYR 20 CO 0.00 -0.16 1.47 0.99 -1.52 0.00 0.00 175.55 176.33 1k1i s THR 21 N -3.62 3.91 0.12 -3.49 2.01 -1.26 -0.21 115.64 113.09 1k1i s THR 21 Ca 0.15 1.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.96 1k1i s THR 21 Cb 0.05 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.68 1k1i s THR 21 CO -0.03 -0.23 1.65 0.00 -0.69 0.00 0.00 174.62 175.33 1k1i n GLY 23 N -1.34 3.34 3.69 0.00 0.00 -1.26 -4.83 105.19 104.80 1k1i n GLY 23 Ca -0.06 -1.54 -0.54 0.00 0.00 0.00 0.00 46.02 43.89 1k1i n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1i n ALA 24 N 0.27 0.13 -2.15 4.61 0.00 -1.26 -2.37 120.51 119.74 1k1i n ALA 24 Ca 0.00 0.36 -0.20 0.00 0.00 0.00 0.00 53.44 53.60 1k1i n ALA 24 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.12 1k1i n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1k1i n ASN 25 N 5.54 -5.65 -0.06 0.00 3.02 -1.26 -4.88 115.26 111.97 1k1i n ASN 25 Ca 0.25 0.13 0.13 0.00 -0.03 0.00 0.00 54.58 55.06 1k1i n ASN 25 Cb 0.19 -4.74 0.39 0.00 -0.61 0.00 0.00 39.78 35.00 1k1i n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1k1i n THR 26 N -3.55 0.00 -3.32 3.41 -2.24 -1.00 -4.01 114.28 103.58 1k1i n THR 26 Ca -0.23 -0.03 -0.26 0.00 -2.27 0.00 0.00 64.05 61.26 1k1i n THR 26 Cb 0.68 0.09 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 1k1i n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1k1i n VAL 27 N -1.27 1.24 0.23 2.28 0.31 -1.26 -4.98 118.33 114.87 1k1i n VAL 27 Ca 0.08 -4.79 0.12 0.00 -0.01 0.00 0.00 64.34 59.74 1k1i n VAL 27 Cb 0.33 -1.99 0.62 0.00 -0.91 0.00 0.00 33.84 31.90 1k1i n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1k1i h PRO 28 N 4.04 0.00 -0.01 5.55 0.13 -1.76 -1.82 132.00 138.13 1k1i h PRO 28 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1k1i h PRO 28 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1k1i h PRO 28 CO 0.70 0.00 -0.40 2.48 -0.23 0.00 0.00 178.00 180.54 1k1i n TYR 29 N -2.44 0.00 -2.48 1.56 0.18 -1.15 -1.88 117.16 110.96 1k1i n TYR 29 Ca -0.02 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.35 1k1i n TYR 29 Cb 0.25 -0.03 -0.04 0.00 -0.38 0.00 0.00 39.34 39.15 1k1i n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1k1i s GLN 30 N -2.47 4.53 0.18 -3.48 2.00 -0.69 -0.97 119.66 118.76 1k1i s GLN 30 Ca 0.20 1.74 0.08 0.00 -2.00 0.00 0.00 55.36 55.38 1k1i s GLN 30 Cb 0.18 -3.30 -0.04 0.00 0.80 0.00 0.00 33.01 30.65 1k1i s GLN 30 CO 0.55 -0.06 -0.16 0.14 -0.50 0.00 0.00 175.29 175.26 1k1i s VAL 31 N 0.27 1.74 -0.13 1.34 -7.23 -0.33 -4.50 120.40 111.57 1k1i s VAL 31 Ca 0.53 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1k1i s VAL 31 Cb -0.29 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 1k1i s VAL 31 CO 0.33 -0.46 -0.15 -0.55 -0.31 0.00 0.00 175.10 173.96 1k1i s SER 32 N -2.95 3.82 -0.27 4.85 0.15 -0.76 -2.01 113.70 116.52 1k1i s SER 32 Ca 0.18 -0.38 -0.18 0.00 0.70 0.00 0.00 55.95 56.27 1k1i s SER 32 Cb -0.03 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.68 1k1i s SER 32 CO 0.06 0.16 0.52 -0.76 1.20 0.00 0.00 173.24 174.42 1k1i s LEU 33 N 0.40 4.08 -0.07 3.45 1.43 0.41 -1.16 118.68 127.21 1k1i s LEU 33 Ca -0.12 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1k1i s LEU 33 Cb -0.16 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 1k1i s LEU 33 CO 0.06 -0.31 -0.16 0.21 0.23 0.00 0.00 176.35 176.37 1k1i s ASN 34 N 1.58 3.86 -0.31 2.29 3.84 0.02 -1.54 114.94 124.68 1k1i s ASN 34 Ca 0.21 -0.29 0.18 0.00 0.21 0.00 0.00 52.86 53.17 1k1i s ASN 34 Cb -0.16 -1.06 0.48 0.00 -0.55 0.00 0.00 41.25 39.96 1k1i s ASN 34 CO 0.10 0.28 1.05 -1.54 -2.79 0.00 0.00 177.10 174.19 1k1i n SER 37 N 2.77 2.13 0.00 -4.21 3.41 -1.26 -0.44 113.62 116.01 1k1i n SER 37 Ca -0.17 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.80 1k1i n SER 37 Cb 0.52 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1k1i n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k1i n GLY 38 N -0.37 0.36 3.55 5.00 0.00 -1.26 -4.99 105.19 107.48 1k1i n GLY 38 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 1k1i n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k1i s TYR 39 N -2.05 -0.29 0.08 1.61 1.13 -1.26 -5.14 117.35 111.44 1k1i s TYR 39 Ca 0.00 0.28 -0.31 0.00 -1.41 0.00 0.00 57.07 55.63 1k1i s TYR 39 Cb 0.00 0.51 -0.07 0.00 -1.10 0.00 0.00 41.96 41.30 1k1i s TYR 39 CO 0.00 -0.39 1.30 -1.58 -2.51 0.00 0.00 175.55 172.36 1k1i s HIS 40 N -2.39 3.32 0.00 -3.49 5.65 -1.26 -4.26 115.29 112.86 1k1i s HIS 40 Ca 0.05 1.12 0.00 0.00 0.25 0.00 0.00 55.06 56.47 1k1i s HIS 40 Cb -0.01 -3.55 0.00 0.00 -1.18 0.00 0.00 32.58 27.84 1k1i s HIS 40 CO -0.05 -1.84 0.00 1.97 -0.65 0.00 0.00 174.74 174.17 1k1i n PHE 41 N 4.01 0.00 -3.56 3.88 1.16 -0.59 -4.98 117.46 117.37 1k1i n PHE 41 Ca 0.10 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.59 1k1i n PHE 41 Cb 0.44 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.29 1k1i n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1k1i n GLY 43 N -0.39 2.28 3.66 0.00 0.00 0.48 -0.45 105.19 110.77 1k1i n GLY 43 Ca -0.12 -2.22 0.01 0.00 0.00 0.00 0.00 46.02 43.68 1k1i n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1i s GLY 44 N -3.74 -0.37 -0.04 -0.02 0.00 -0.85 -3.91 107.32 98.39 1k1i s GLY 44 Ca 0.36 0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.69 1k1i s GLY 44 CO 0.23 0.33 -0.16 -0.56 0.00 0.00 0.00 173.10 172.94 1k1i s SER 45 N -3.01 2.08 -0.25 1.64 0.01 -0.19 -1.18 113.70 112.79 1k1i s SER 45 Ca 0.15 -0.34 -0.27 0.00 1.31 0.00 0.00 55.95 56.80 1k1i s SER 45 Cb 0.04 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.66 1k1i s SER 45 CO -0.03 0.14 0.93 -0.22 0.41 0.00 0.00 173.24 174.47 1k1i s LEU 46 N 0.10 4.07 -0.02 2.44 2.96 -0.14 -0.94 118.68 127.15 1k1i s LEU 46 Ca -0.05 1.12 0.21 0.00 -0.22 0.00 0.00 54.13 55.19 1k1i s LEU 46 Cb -0.12 -3.35 -0.29 0.00 0.50 0.00 0.00 46.19 42.94 1k1i s LEU 46 CO 0.02 -0.63 0.63 2.30 -1.32 0.00 0.00 176.35 177.36 1k1i n ILE 47 N 5.38 0.00 -3.77 6.68 -5.35 -0.50 -0.27 119.36 121.54 1k1i n ILE 47 Ca 0.08 -0.30 -0.03 0.00 -0.27 0.00 0.00 62.75 62.24 1k1i n ILE 47 Cb 0.47 0.41 -0.01 0.00 -1.74 0.00 0.00 39.64 38.77 1k1i n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1k1i s ASN 48 N -3.85 -0.15 0.43 7.28 6.03 -1.22 -4.49 114.94 118.98 1k1i s ASN 48 Ca -0.02 -0.44 0.18 0.00 -1.03 0.00 0.00 52.86 51.56 1k1i s ASN 48 Cb 0.14 0.49 0.98 0.00 -3.03 0.00 0.00 41.25 39.83 1k1i s ASN 48 CO 0.87 -0.91 1.48 0.77 -2.03 0.00 0.00 177.10 177.28 1k1i h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.95 -2.84 113.55 118.94 1k1i h SER 49 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1k1i h SER 49 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1k1i h SER 49 CO 0.27 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.90 1k1i n GLN 50 N -2.31 0.63 -4.37 4.77 7.27 -1.26 0.02 117.38 122.13 1k1i n GLN 50 Ca -0.01 -0.66 -0.20 0.00 0.07 0.00 0.00 57.00 56.20 1k1i n GLN 50 Cb 0.34 -0.64 -0.15 0.00 2.41 0.00 0.00 30.24 32.20 1k1i n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1k1i s TRP 51 N -0.23 0.93 0.05 3.69 0.52 -1.07 -0.81 118.94 122.02 1k1i s TRP 51 Ca 0.00 -0.23 0.09 0.00 0.02 0.00 0.00 56.10 55.98 1k1i s TRP 51 Cb 0.00 -0.67 -0.03 0.00 -1.15 0.00 0.00 33.47 31.62 1k1i s TRP 51 CO 0.00 -0.10 -0.25 0.08 0.02 0.00 0.00 176.95 176.70 1k1i s VAL 52 N 0.22 2.02 -0.08 4.03 1.01 -0.10 -1.41 120.40 126.08 1k1i s VAL 52 Ca -0.03 -1.37 0.04 0.00 0.00 0.00 0.00 61.98 60.61 1k1i s VAL 52 Cb -0.09 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1k1i s VAL 52 CO 0.00 0.30 -0.21 0.54 0.00 0.00 0.00 175.10 175.73 1k1i s VAL 53 N -0.83 2.38 0.00 2.92 0.11 -0.11 -0.63 120.40 124.24 1k1i s VAL 53 Ca 0.11 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 1k1i s VAL 53 Cb -0.10 -1.91 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1k1i s VAL 53 CO 0.02 0.56 0.00 -0.24 -3.33 0.00 0.00 175.10 172.11 1k1i n SER 54 N 3.15 0.00 -4.84 3.54 2.88 -0.09 -1.02 113.62 117.24 1k1i n SER 54 Ca -0.18 -0.53 -0.37 0.00 -1.33 0.00 0.00 58.87 56.46 1k1i n SER 54 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 1k1i n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k1i s ALA 55 N -1.95 3.78 0.48 -1.46 0.00 -1.26 -1.21 121.76 120.13 1k1i s ALA 55 Ca 0.00 -0.49 0.16 0.00 0.00 0.00 0.00 51.96 51.63 1k1i s ALA 55 Cb 0.00 -2.16 1.15 0.00 0.00 0.00 0.00 23.12 22.12 1k1i s ALA 55 CO 0.00 0.49 2.04 0.00 0.00 0.00 0.00 175.76 178.29 1k1i h ALA 56 N 5.19 2.07 0.00 0.00 0.00 -1.69 0.38 119.26 125.21 1k1i h ALA 56 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1k1i h ALA 56 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1k1i h ALA 56 CO 0.62 -0.15 0.00 -2.39 0.00 0.00 0.00 179.25 177.33 1k1i n HIS 57 N -4.47 0.00 1.05 0.00 1.44 -1.26 -1.28 115.22 110.69 1k1i n HIS 57 Ca 0.05 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.88 1k1i n HIS 57 Cb 0.30 -0.13 0.13 0.00 0.12 0.00 0.00 29.99 30.41 1k1i n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1k1i n TYR 59 N -1.10 1.07 -3.53 0.00 4.19 -0.41 -4.97 117.16 112.41 1k1i n TYR 59 Ca 0.07 0.75 -0.11 0.00 3.31 0.00 0.00 57.90 61.92 1k1i n TYR 59 Cb 0.36 -2.23 -0.04 0.00 0.49 0.00 0.00 39.34 37.92 1k1i n TYR 59 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1k1i s LYS 60 N -0.39 0.80 0.19 2.98 2.20 -1.26 -5.14 119.74 119.13 1k1i s LYS 60 Ca 0.74 -0.08 -0.02 0.00 -0.36 0.00 0.00 55.97 56.26 1k1i s LYS 60 Cb -0.91 0.37 -0.05 0.00 -1.51 0.00 0.00 37.83 35.74 1k1i s LYS 60 CO 0.53 -0.31 0.40 -1.54 -0.36 0.00 0.00 175.35 174.07 1k1i s SER 61 N -1.84 6.41 -0.40 1.43 1.04 -1.26 -4.53 113.70 114.55 1k1i s SER 61 Ca 0.00 0.46 -0.00 0.00 0.48 0.00 0.00 55.95 56.89 1k1i s SER 61 Cb -0.01 -2.04 -0.00 0.00 0.10 0.00 0.00 66.02 64.08 1k1i s SER 61 CO -0.03 -0.03 0.34 0.61 0.98 0.00 0.00 173.24 175.11 1k1i n GLY 62 N -0.49 0.17 3.75 7.32 0.00 -1.26 -5.02 105.19 109.65 1k1i n GLY 62 Ca -0.04 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 1k1i n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k1i s ILE 63 N -3.12 5.35 -0.15 -0.61 1.01 -1.26 -4.57 121.20 117.85 1k1i s ILE 63 Ca 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 60.65 61.03 1k1i s ILE 63 Cb -0.00 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 1k1i s ILE 63 CO 0.25 0.44 -0.09 -1.58 0.00 0.00 0.00 174.94 173.95 1k1i s GLN 64 N 0.22 3.46 -0.18 2.79 0.74 0.42 -1.99 119.66 125.11 1k1i s GLN 64 Ca 0.13 -0.63 -0.18 0.00 0.05 0.00 0.00 55.36 54.73 1k1i s GLN 64 Cb -0.12 -2.76 -0.03 0.00 1.10 0.00 0.00 33.01 31.19 1k1i s GLN 64 CO 0.02 0.17 0.49 0.08 -0.55 0.00 0.00 175.29 175.50 1k1i s VAL 65 N 0.50 5.13 -0.28 1.34 1.01 0.14 -0.80 120.40 127.44 1k1i s VAL 65 Ca -0.07 0.92 -0.05 0.00 0.00 0.00 0.00 61.98 62.79 1k1i s VAL 65 Cb -0.15 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1k1i s VAL 65 CO 0.04 0.22 0.04 -0.13 0.00 0.00 0.00 175.10 175.26 1k1i s ARG 66 N 1.38 2.99 0.31 2.72 0.52 -0.31 -0.89 118.95 125.67 1k1i s ARG 66 Ca 0.24 -0.91 0.07 0.00 -0.52 0.00 0.00 55.73 54.62 1k1i s ARG 66 Cb -0.15 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 1k1i s ARG 66 CO 0.10 -0.43 0.26 -0.51 0.02 0.00 0.00 175.30 174.73 1k1i s LEU 67 N 1.44 3.69 -1.21 2.53 1.43 -0.05 -1.83 118.68 124.66 1k1i s LEU 67 Ca 0.02 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1k1i s LEU 67 Cb -0.17 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1k1i s LEU 67 CO 0.00 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.95 1k1i n GLY 69 N -1.31 0.28 3.84 -3.19 0.00 -1.26 -1.61 105.19 101.94 1k1i n GLY 69 Ca -0.04 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 1k1i n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k1i s GLU 70 N -4.22 4.02 0.00 1.61 0.41 -1.26 -3.83 118.70 115.43 1k1i s GLU 70 Ca 0.00 0.54 0.00 0.00 -0.41 0.00 0.00 54.97 55.10 1k1i s GLU 70 Cb 0.00 -2.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 1k1i s GLU 70 CO 0.00 0.47 0.00 -3.47 -0.49 0.00 0.00 175.26 171.77 1k1i n ASP 71 N 0.81 0.00 -4.61 -0.19 2.03 -1.26 -4.56 116.55 108.78 1k1i n ASP 71 Ca -0.05 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.83 1k1i n ASP 71 Cb 0.52 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.90 1k1i n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1k1i s ASN 72 N 1.00 6.70 0.00 1.67 3.84 -1.25 -3.46 114.94 123.44 1k1i s ASN 72 Ca 0.00 0.60 0.21 0.00 0.21 0.00 0.00 52.86 53.88 1k1i s ASN 72 Cb 0.00 -2.55 1.06 0.00 -0.55 0.00 0.00 41.25 39.21 1k1i s ASN 72 CO 0.00 -1.16 1.69 2.30 -2.79 0.00 0.00 177.10 177.13 1k1i n ILE 73 N 6.61 0.37 0.69 -5.21 -5.35 0.00 -3.07 119.36 113.40 1k1i n ILE 73 Ca 0.12 0.09 0.08 0.00 -0.27 0.00 0.00 62.75 62.77 1k1i n ILE 73 Cb 0.49 -0.74 0.05 0.00 -1.74 0.00 0.00 39.64 37.70 1k1i n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1k1i n ASN 74 N -1.32 2.21 -3.98 7.28 3.02 -1.26 -4.95 115.26 116.26 1k1i n ASN 74 Ca 0.09 -1.60 -0.20 0.00 -0.03 0.00 0.00 54.58 52.84 1k1i n ASN 74 Cb 0.18 0.11 -0.16 0.00 -0.61 0.00 0.00 39.78 39.30 1k1i n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k1i s VAL 75 N -1.49 0.71 -0.51 2.41 1.01 -1.17 -5.09 120.40 116.26 1k1i s VAL 75 Ca 0.18 -0.30 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 1k1i s VAL 75 Cb 0.14 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.90 1k1i s VAL 75 CO 0.25 0.23 1.11 -0.69 0.00 0.00 0.00 175.10 176.00 1k1i s VAL 76 N 0.33 4.21 -1.01 2.92 1.01 -1.26 -4.70 120.40 121.90 1k1i s VAL 76 Ca -0.05 1.01 0.21 0.00 0.00 0.00 0.00 61.98 63.15 1k1i s VAL 76 Cb -0.09 -4.61 -0.22 0.00 0.00 0.00 0.00 36.38 31.46 1k1i s VAL 76 CO 0.01 -1.07 0.92 -0.62 0.00 0.00 0.00 175.10 174.34 1k1i n GLU 77 N 7.86 0.01 0.00 2.72 1.02 -1.26 -5.01 120.64 125.99 1k1i n GLU 77 Ca 0.10 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1k1i n GLU 77 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1k1i n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k1i n GLY 78 N 1.50 1.64 0.60 0.62 0.00 -1.26 -4.97 105.19 103.32 1k1i n GLY 78 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1k1i n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k1i n ASN 79 N 0.00 3.22 -4.87 1.61 3.02 -1.26 -5.04 115.26 111.94 1k1i n ASN 79 Ca 0.00 -2.70 -0.31 0.00 -0.03 0.00 0.00 54.58 51.54 1k1i n ASN 79 Cb 0.00 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 38.72 1k1i n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1k1i s GLU 80 N -2.25 3.86 -0.19 3.52 8.01 -1.25 -4.16 118.70 126.25 1k1i s GLU 80 Ca 0.32 0.53 -0.04 0.00 0.01 0.00 0.00 54.97 55.79 1k1i s GLU 80 Cb 0.25 -2.42 0.06 0.00 -4.31 0.00 0.00 34.13 27.71 1k1i s GLU 80 CO 0.09 0.05 0.08 -0.65 0.01 0.00 0.00 175.26 174.84 1k1i s GLN 81 N -3.48 0.26 -0.34 1.61 -0.21 -0.63 -4.97 119.66 111.89 1k1i s GLN 81 Ca 0.52 -0.24 -0.14 0.00 0.02 0.00 0.00 55.36 55.52 1k1i s GLN 81 Cb -0.10 -1.86 -0.01 0.00 1.00 0.00 0.00 33.01 32.04 1k1i s GLN 81 CO 0.26 -0.70 0.32 -0.06 -2.12 0.00 0.00 175.29 172.99 1k1i s PHE 82 N 2.04 3.22 -0.05 0.91 2.99 -1.26 -0.88 117.98 124.95 1k1i s PHE 82 Ca 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 56.93 56.86 1k1i s PHE 82 Cb -0.16 -2.61 0.02 0.00 0.00 0.00 0.00 43.02 40.27 1k1i s PHE 82 CO -0.11 -0.41 -0.08 0.42 -0.00 0.00 0.00 175.22 175.03 1k1i s ILE 83 N 1.91 0.83 0.50 0.64 1.01 -0.07 -4.98 121.20 121.04 1k1i s ILE 83 Ca 0.10 -0.31 -0.18 0.00 0.00 0.00 0.00 60.65 60.25 1k1i s ILE 83 Cb -0.17 -0.78 -0.08 0.00 0.01 0.00 0.00 42.46 41.44 1k1i s ILE 83 CO 0.11 0.28 1.00 -0.44 0.00 0.00 0.00 174.94 175.90 1k1i s SER 84 N 0.68 6.48 0.16 3.58 0.01 -1.26 0.23 113.70 123.57 1k1i s SER 84 Ca -0.12 1.72 -0.24 0.00 1.31 0.00 0.00 55.95 58.62 1k1i s SER 84 Cb -0.14 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.48 1k1i s SER 84 CO 0.02 -0.69 0.75 0.00 0.41 0.00 0.00 173.24 173.73 1k1i s ALA 85 N -2.35 3.47 -0.11 1.44 0.00 -0.84 -1.12 121.76 122.23 1k1i s ALA 85 Ca 0.62 0.32 0.20 0.00 0.00 0.00 0.00 51.96 53.10 1k1i s ALA 85 Cb -0.12 -2.91 -0.29 0.00 0.00 0.00 0.00 23.12 19.79 1k1i s ALA 85 CO 0.26 0.31 0.27 -1.13 0.00 0.00 0.00 175.76 175.47 1k1i n SER 86 N 1.58 0.06 -3.65 0.00 3.41 0.57 -4.75 113.62 110.85 1k1i n SER 86 Ca -0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.41 1k1i n SER 86 Cb 0.49 1.49 -0.08 0.00 -0.26 0.00 0.00 64.21 65.86 1k1i n SER 86 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1k1i s LYS 87 N -3.00 0.77 -0.04 4.33 2.20 -1.22 -5.01 119.74 117.79 1k1i s LYS 87 Ca -0.09 0.74 0.06 0.00 -0.36 0.00 0.00 55.97 56.32 1k1i s LYS 87 Cb 0.10 0.37 -0.01 0.00 -1.51 0.00 0.00 37.83 36.78 1k1i s LYS 87 CO 0.86 -0.12 -0.21 -1.12 -0.36 0.00 0.00 175.35 174.40 1k1i s SER 88 N 0.05 2.52 -0.26 1.43 0.01 -1.26 -0.48 113.70 115.71 1k1i s SER 88 Ca -0.02 -0.41 -0.00 0.00 1.31 0.00 0.00 55.95 56.83 1k1i s SER 88 Cb -0.04 -0.54 0.08 0.00 0.21 0.00 0.00 66.02 65.73 1k1i s SER 88 CO 0.02 0.22 0.03 -0.63 0.41 0.00 0.00 173.24 173.29 1k1i s ILE 89 N -0.22 1.12 0.25 1.44 1.01 0.88 -5.00 121.20 120.67 1k1i s ILE 89 Ca 0.01 -1.23 -0.26 0.00 0.00 0.00 0.00 60.65 59.17 1k1i s ILE 89 Cb -0.11 -1.65 -0.09 0.00 0.01 0.00 0.00 42.46 40.63 1k1i s ILE 89 CO 0.01 -0.38 0.87 -0.69 0.00 0.00 0.00 174.94 174.75 1k1i s VAL 90 N 1.54 4.27 0.20 2.92 1.01 -1.26 -0.96 120.40 128.13 1k1i s VAL 90 Ca 0.02 1.77 -0.32 0.00 0.00 0.00 0.00 61.98 63.46 1k1i s VAL 90 Cb -0.18 -4.09 -0.15 0.00 0.00 0.00 0.00 36.38 31.96 1k1i s VAL 90 CO -0.14 0.33 1.18 1.57 0.00 0.00 0.00 175.10 178.04 1k1i n HIS 91 N 1.06 1.44 0.04 5.22 -0.00 -0.96 -4.85 115.22 117.17 1k1i n HIS 91 Ca -0.02 0.64 0.19 0.00 0.46 0.00 0.00 57.72 58.99 1k1i n HIS 91 Cb 0.49 -2.30 0.70 0.00 -0.12 0.00 0.00 29.99 28.75 1k1i n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1k1i h PRO 92 N 3.27 0.00 -0.47 1.57 0.13 -1.93 -2.20 132.00 132.37 1k1i h PRO 92 Ca -0.43 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 1k1i h PRO 92 Cb 1.33 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.40 1k1i h PRO 92 CO 0.69 0.00 0.08 0.43 -0.23 0.00 0.00 178.00 178.98 1k1i n SER 93 N -4.33 4.12 -4.71 1.44 7.64 -1.26 -5.01 113.62 111.52 1k1i n SER 93 Ca 0.08 -3.22 -0.42 0.00 1.01 0.00 0.00 58.87 56.32 1k1i n SER 93 Cb 0.54 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 1k1i n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k1i s TYR 94 N -2.96 2.90 -0.32 1.43 6.14 -0.83 -4.64 117.35 119.06 1k1i s TYR 94 Ca 0.48 0.57 -0.00 0.00 0.64 0.00 0.00 57.07 58.76 1k1i s TYR 94 Cb 0.39 -3.92 0.07 0.00 0.42 0.00 0.00 41.96 38.93 1k1i s TYR 94 CO 0.09 -3.45 0.04 1.21 0.64 0.00 0.00 175.55 174.08 1k1i s ASN 95 N 1.50 4.89 0.56 4.32 3.84 -0.17 -4.98 114.94 124.90 1k1i s ASN 95 Ca 0.71 -1.59 0.37 0.00 0.21 0.00 0.00 52.86 52.55 1k1i s ASN 95 Cb -0.42 -1.70 1.80 0.00 -0.55 0.00 0.00 41.25 40.38 1k1i s ASN 95 CO 0.31 -0.33 2.11 0.77 -2.79 0.00 0.00 177.10 177.17 1k1i h SER 96 N 7.92 0.00 0.67 -4.21 4.64 -1.94 0.61 113.55 121.25 1k1i h SER 96 Ca -0.16 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.89 1k1i h SER 96 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1k1i h SER 96 CO 0.56 0.00 -1.29 0.78 -0.87 0.00 0.00 176.83 176.00 1k1i h ASN 97 N 0.00 0.26 0.00 4.97 -0.26 -1.96 -3.36 115.58 115.23 1k1i h ASN 97 Ca 0.00 -0.31 0.00 0.00 -0.56 0.00 0.00 56.30 55.43 1k1i h ASN 97 Cb 0.23 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1k1i h ASN 97 CO 0.00 1.25 -0.76 0.35 -1.06 0.00 0.00 177.43 177.21 1k1i n THR 98 N -3.42 0.00 -1.29 2.81 -2.24 -1.09 -4.98 114.28 104.07 1k1i n THR 98 Ca -0.09 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.37 1k1i n THR 98 Cb 1.01 0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 70.05 1k1i n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1k1i n LEU 99 N -1.41 -0.60 -4.74 3.22 4.77 0.21 -4.98 117.00 113.47 1k1i n LEU 99 Ca 0.01 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.83 1k1i n LEU 99 Cb 0.22 -1.86 -0.04 0.00 -2.33 0.00 0.00 43.42 39.41 1k1i n LEU 99 CO 0.25 -0.64 0.83 0.21 -1.33 0.00 0.00 177.39 176.72 1k1i s ASN 100 N -2.70 7.18 -0.79 -1.43 3.04 -1.13 -3.13 114.94 115.98 1k1i s ASN 100 Ca 0.00 2.18 -0.05 0.00 0.04 0.00 0.00 52.86 55.03 1k1i s ASN 100 Cb 0.00 -2.61 0.01 0.00 -1.54 0.00 0.00 41.25 37.11 1k1i s ASN 100 CO 0.00 -0.28 0.69 0.59 -3.04 0.00 0.00 177.10 175.06 1k1i n ASN 101 N 2.26 -4.44 -4.09 -4.21 5.03 -1.26 -1.00 115.26 107.54 1k1i n ASN 101 Ca 0.03 -0.32 -0.42 0.00 0.87 0.00 0.00 54.58 54.74 1k1i n ASN 101 Cb 0.45 -3.16 -0.01 0.00 -1.02 0.00 0.00 39.78 36.04 1k1i n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1k1i n ASP 102 N -1.21 4.10 -3.84 6.41 2.03 -1.18 -4.36 116.55 118.50 1k1i n ASP 102 Ca -0.00 -2.85 -0.12 0.00 0.52 0.00 0.00 54.79 52.34 1k1i n ASP 102 Cb 0.54 -1.65 -0.11 0.00 -0.72 0.00 0.00 41.12 39.18 1k1i n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1k1i s ILE 103 N 4.24 0.05 -0.09 5.18 2.07 -1.26 -3.96 121.20 127.43 1k1i s ILE 103 Ca 0.52 -0.43 -0.13 0.00 -1.41 0.00 0.00 60.65 59.20 1k1i s ILE 103 Cb 0.09 -0.38 0.03 0.00 0.13 0.00 0.00 42.46 42.33 1k1i s ILE 103 CO 0.01 -0.23 0.34 -0.32 -1.91 0.00 0.00 174.94 172.82 1k1i s MET 104 N -0.84 0.50 -0.07 3.50 -2.45 -0.35 -2.27 119.30 117.31 1k1i s MET 104 Ca -0.09 0.27 0.01 0.00 -1.25 0.00 0.00 55.69 54.62 1k1i s MET 104 Cb -0.05 0.23 -0.03 0.00 1.25 0.00 0.00 34.83 36.23 1k1i s MET 104 CO 0.01 -0.09 -0.07 -0.51 1.05 0.00 0.00 175.02 175.41 1k1i s LEU 105 N -0.31 3.18 -0.08 4.11 1.43 -0.13 -0.91 118.68 125.97 1k1i s LEU 105 Ca -0.04 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1k1i s LEU 105 Cb -0.03 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1k1i s LEU 105 CO 0.02 0.35 -0.12 -0.63 0.23 0.00 0.00 176.35 176.20 1k1i s ILE 106 N -0.75 1.16 -0.12 -0.59 1.01 0.20 -0.09 121.20 122.03 1k1i s ILE 106 Ca 0.11 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 1k1i s ILE 106 Cb -0.11 -1.08 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 1k1i s ILE 106 CO 0.02 0.37 0.21 -0.75 0.00 0.00 0.00 174.94 174.79 1k1i s LYS 107 N 0.91 3.79 0.30 2.79 2.20 0.36 -0.92 119.74 129.18 1k1i s LYS 107 Ca -0.10 -0.00 -0.19 0.00 -0.36 0.00 0.00 55.97 55.32 1k1i s LYS 107 Cb -0.15 -3.27 -0.09 0.00 -1.51 0.00 0.00 37.83 32.80 1k1i s LYS 107 CO 0.01 0.59 0.79 -0.51 -0.36 0.00 0.00 175.35 175.87 1k1i s LEU 108 N -0.55 4.18 0.48 5.43 1.43 0.01 -0.31 118.68 129.35 1k1i s LEU 108 Ca 0.16 1.47 0.22 0.00 -1.03 0.00 0.00 54.13 54.94 1k1i s LEU 108 Cb -0.13 -3.97 1.23 0.00 0.03 0.00 0.00 46.19 43.35 1k1i s LEU 108 CO 0.05 -0.13 2.02 0.11 0.23 0.00 0.00 176.35 178.63 1k1i h LYS 109 N 2.73 0.00 -3.51 1.70 1.57 -1.42 -3.42 116.57 114.22 1k1i h LYS 109 Ca -0.48 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.18 1k1i h LYS 109 Cb 1.18 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.31 1k1i h LYS 109 CO 0.65 0.17 -0.42 -1.54 -0.57 0.00 0.00 179.45 177.73 1k1i s SER 110 N -6.51 0.02 0.41 0.86 1.04 -1.26 -5.01 113.70 103.24 1k1i s SER 110 Ca -0.03 -0.28 -0.25 0.00 0.48 0.00 0.00 55.95 55.86 1k1i s SER 110 Cb 0.14 0.26 -0.08 0.00 0.10 0.00 0.00 66.02 66.43 1k1i s SER 110 CO 0.64 -0.48 1.21 0.00 0.98 0.00 0.00 173.24 175.58 1k1i s ALA 111 N -2.05 3.17 0.49 5.32 0.00 -1.26 -4.84 121.76 122.58 1k1i s ALA 111 Ca -0.09 1.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.75 1k1i s ALA 111 Cb -0.04 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 1k1i s ALA 111 CO -0.01 -0.63 0.94 0.00 0.00 0.00 0.00 175.76 176.06 1k1i s ALA 112 N -1.37 3.11 -0.48 0.00 0.00 0.10 -5.01 121.76 118.12 1k1i s ALA 112 Ca 0.57 0.14 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 1k1i s ALA 112 Cb -0.33 -3.05 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1k1i s ALA 112 CO 0.41 -0.16 0.72 -1.12 0.00 0.00 0.00 175.76 175.62 1k1i s SER 113 N -2.99 6.32 -0.06 0.00 0.01 -1.26 -4.85 113.70 110.87 1k1i s SER 113 Ca 0.58 -0.44 -0.27 0.00 1.31 0.00 0.00 55.95 57.13 1k1i s SER 113 Cb -0.10 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 1k1i s SER 113 CO 0.29 -0.92 0.87 -0.76 0.41 0.00 0.00 173.24 173.13 1k1i s LEU 114 N 3.07 4.31 0.00 2.44 1.43 -1.26 -4.82 118.68 123.85 1k1i s LEU 114 Ca 0.24 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 1k1i s LEU 114 Cb -0.15 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1k1i s LEU 114 CO 0.18 -0.25 0.00 -0.46 0.23 0.00 0.00 176.35 176.05 1k1i n ASN 115 N 4.17 0.00 0.13 2.29 6.94 0.52 -4.98 115.26 124.34 1k1i n ASN 115 Ca 0.04 -0.51 0.02 0.00 -0.02 0.00 0.00 54.58 54.11 1k1i n ASN 115 Cb 0.51 0.00 0.35 0.00 -2.36 0.00 0.00 39.78 38.28 1k1i n ASN 115 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1k1i h SER 116 N 0.00 0.17 0.68 0.53 0.87 -2.00 -3.04 113.55 110.76 1k1i h SER 116 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1k1i h SER 116 Cb 0.00 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1k1i h SER 116 CO 0.00 0.42 -0.81 0.54 -0.53 0.00 0.00 176.83 176.46 1k1i n ARG 117 N -4.18 0.30 -3.75 2.24 1.74 -1.26 -4.68 116.66 107.06 1k1i n ARG 117 Ca -0.01 0.05 -0.29 0.00 -0.77 0.00 0.00 57.85 56.83 1k1i n ARG 117 Cb 0.34 -1.65 -0.16 0.00 -1.02 0.00 0.00 32.46 29.98 1k1i n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1k1i s VAL 118 N -3.18 0.76 0.03 1.55 1.01 -1.15 -4.35 120.40 115.07 1k1i s VAL 118 Ca 0.05 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1k1i s VAL 118 Cb 0.14 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1k1i s VAL 118 CO 0.76 -0.42 -0.01 0.00 0.00 0.00 0.00 175.10 175.42 1k1i s ALA 119 N 1.71 0.22 0.48 5.51 0.00 -0.79 -0.35 121.76 128.54 1k1i s ALA 119 Ca 0.04 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.11 1k1i s ALA 119 Cb -0.17 0.20 -0.06 0.00 0.00 0.00 0.00 23.12 23.09 1k1i s ALA 119 CO -0.16 -0.24 0.86 -1.54 0.00 0.00 0.00 175.76 174.67 1k1i s SER 120 N -1.99 6.44 -0.07 0.00 1.04 -1.26 -2.95 113.70 114.90 1k1i s SER 120 Ca -0.08 1.23 -0.01 0.00 0.48 0.00 0.00 55.95 57.58 1k1i s SER 120 Cb -0.03 -2.37 -0.03 0.00 0.10 0.00 0.00 66.02 63.68 1k1i s SER 120 CO -0.04 -0.55 -0.03 -0.51 0.98 0.00 0.00 173.24 173.09 1k1i s ILE 121 N -2.64 4.06 0.40 -1.02 1.10 0.63 -4.91 121.20 118.83 1k1i s ILE 121 Ca 0.53 -0.36 -0.24 0.00 -0.51 0.00 0.00 60.65 60.07 1k1i s ILE 121 Cb -0.10 -2.69 -0.09 0.00 0.15 0.00 0.00 42.46 39.72 1k1i s ILE 121 CO 0.38 0.59 1.02 -0.44 -2.11 0.00 0.00 174.94 174.39 1k1i s SER 122 N -0.89 6.81 0.37 4.50 0.01 -1.26 -4.48 113.70 118.76 1k1i s SER 122 Ca 0.13 1.97 -0.24 0.00 1.31 0.00 0.00 55.95 59.12 1k1i s SER 122 Cb -0.11 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.44 1k1i s SER 122 CO 0.02 -0.45 0.95 -0.76 0.41 0.00 0.00 173.24 173.41 1k1i s LEU 123 N -2.70 4.17 0.60 2.44 1.43 -1.26 -0.94 118.68 122.43 1k1i s LEU 123 Ca 0.58 1.78 -0.17 0.00 -1.03 0.00 0.00 54.13 55.29 1k1i s LEU 123 Cb -0.20 -4.23 -0.03 0.00 0.03 0.00 0.00 46.19 41.76 1k1i s LEU 123 CO 0.25 -0.19 1.10 -2.16 0.23 0.00 0.00 176.35 175.57 1k1i s PRO 124 N -2.52 3.12 -0.00 1.29 0.04 -1.25 -4.81 135.00 130.86 1k1i s PRO 124 Ca 0.55 1.40 0.21 0.00 0.04 0.00 0.00 61.00 63.20 1k1i s PRO 124 Cb -0.15 -1.99 -0.18 0.00 0.04 0.00 0.00 34.50 32.22 1k1i s PRO 124 CO 0.19 -1.00 0.89 0.25 0.04 0.00 0.00 177.00 177.37 1k1i n THR 125 N -1.97 0.01 -3.71 1.26 -2.24 -1.26 -4.94 114.28 101.44 1k1i n THR 125 Ca 0.10 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 1k1i n THR 125 Cb 0.52 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.50 1k1i n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1k1i s SER 127 N -3.24 -0.27 0.13 3.42 1.04 -1.26 -5.15 113.70 108.36 1k1i s SER 127 Ca 0.06 -0.43 -0.28 0.00 0.48 0.00 0.00 55.95 55.77 1k1i s SER 127 Cb 0.16 0.56 -0.07 0.00 0.10 0.00 0.00 66.02 66.77 1k1i s SER 127 CO 0.86 -1.02 0.89 0.00 0.98 0.00 0.00 173.24 174.96 1k1i s ALA 129 N -0.38 3.02 0.37 0.00 0.00 -1.26 -5.04 121.76 118.47 1k1i s ALA 129 Ca 0.43 0.76 -0.00 0.00 0.00 0.00 0.00 51.96 53.14 1k1i s ALA 129 Cb -0.23 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1k1i s ALA 129 CO 0.28 -0.36 0.59 -1.12 0.00 0.00 0.00 175.76 175.16 1k1i s SER 130 N -1.56 6.28 0.51 0.00 0.01 -1.26 -5.03 113.70 112.65 1k1i s SER 130 Ca 0.61 0.53 -0.23 0.00 1.31 0.00 0.00 55.95 58.17 1k1i s SER 130 Cb -0.23 -2.06 -0.06 0.00 0.21 0.00 0.00 66.02 63.88 1k1i s SER 130 CO 0.29 -0.35 1.36 0.00 0.41 0.00 0.00 173.24 174.94 1k1i n ALA 132 N -1.88 1.65 0.00 1.44 0.00 -1.26 -2.20 120.51 118.26 1k1i n ALA 132 Ca -0.04 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1k1i n ALA 132 Cb 0.56 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1k1i n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k1i n GLY 133 N 0.73 3.45 3.74 0.00 0.00 0.23 -4.94 105.19 108.40 1k1i n GLY 133 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1k1i n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1i s THR 134 N -2.83 3.03 0.05 2.61 2.01 -0.93 -4.70 115.64 114.87 1k1i s THR 134 Ca 0.00 0.87 -0.24 0.00 0.31 0.00 0.00 61.69 62.62 1k1i s THR 134 Cb 0.00 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 68.90 1k1i s THR 134 CO 0.00 0.14 0.74 -1.10 -0.69 0.00 0.00 174.62 173.71 1k1i s GLN 135 N -0.32 4.47 0.16 4.92 -1.52 -1.26 -1.34 119.66 124.77 1k1i s GLN 135 Ca 0.57 1.02 0.05 0.00 -1.95 0.00 0.00 55.36 55.05 1k1i s GLN 135 Cb -0.38 -3.35 -0.04 0.00 -0.22 0.00 0.00 33.01 29.02 1k1i s GLN 135 CO 0.41 0.32 -0.12 0.00 -0.25 0.00 0.00 175.29 175.65 1k1i s LEU 137 N -3.06 3.11 -0.06 0.00 2.96 0.28 -1.19 118.68 120.73 1k1i s LEU 137 Ca 0.16 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1k1i s LEU 137 Cb 0.00 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1k1i s LEU 137 CO 0.02 -0.02 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.29 1k1i s ILE 138 N 1.48 3.26 0.07 6.68 1.01 0.62 -1.65 121.20 132.67 1k1i s ILE 138 Ca 0.06 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 1k1i s ILE 138 Cb -0.15 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 1k1i s ILE 138 CO -0.00 0.59 0.13 -0.94 0.00 0.00 0.00 174.94 174.71 1k1i s SER 139 N -0.64 0.20 0.00 3.58 1.04 -1.22 -0.32 113.70 116.34 1k1i s SER 139 Ca 0.09 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1k1i s SER 139 Cb -0.11 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1k1i s SER 139 CO 0.01 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1k1i n GLY 140 N 0.18 0.29 1.46 7.32 0.00 -0.72 -4.42 105.19 109.30 1k1i n GLY 140 Ca -0.16 -1.08 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 1k1i n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k1i n TRP 141 N -0.59 1.68 -1.89 1.61 8.01 -1.26 -2.14 117.44 122.87 1k1i n TRP 141 Ca 0.00 -1.44 -0.30 0.00 -1.31 0.00 0.00 57.50 54.46 1k1i n TRP 141 Cb 0.00 -0.58 0.16 0.00 -2.01 0.00 0.00 31.31 28.88 1k1i n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1k1i s GLY 142 N -1.92 1.72 0.33 6.99 0.00 -1.25 -4.43 107.32 108.76 1k1i s GLY 142 Ca 0.48 -1.03 -0.26 0.00 0.00 0.00 0.00 44.72 43.91 1k1i s GLY 142 CO 0.06 -0.34 0.89 -2.01 0.00 0.00 0.00 173.10 171.70 1k1i n ASN 143 N -3.68 0.71 -0.73 1.64 5.15 -0.15 -2.45 115.26 115.75 1k1i n ASN 143 Ca 0.13 1.10 0.09 0.00 -0.60 0.00 0.00 54.58 55.30 1k1i n ASN 143 Cb 0.60 -1.24 0.10 0.00 -0.53 0.00 0.00 39.78 38.70 1k1i n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1k1i n THR 144 N -0.13 0.17 -4.97 -0.44 -2.24 -0.59 -1.17 114.28 104.90 1k1i n THR 144 Ca 0.11 -0.58 -0.32 0.00 -2.27 0.00 0.00 64.05 60.98 1k1i n THR 144 Cb 0.34 1.21 -0.14 0.00 -2.10 0.00 0.00 70.33 69.64 1k1i n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1k1i s LYS 145 N -1.35 2.61 0.25 -0.78 -0.14 -1.26 -4.36 119.74 114.70 1k1i s LYS 145 Ca 0.22 -0.75 0.12 0.00 -1.36 0.00 0.00 55.97 54.21 1k1i s LYS 145 Cb 0.15 -2.35 0.17 0.00 -1.68 0.00 0.00 37.83 34.12 1k1i s LYS 145 CO 0.22 0.52 1.49 0.66 -0.76 0.00 0.00 175.35 177.47 1k1i h SER 146 N 5.68 0.00 -3.20 2.83 4.64 -1.94 -3.41 113.55 118.14 1k1i h SER 146 Ca -0.41 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.46 1k1i h SER 146 Cb 1.16 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.85 1k1i h SER 146 CO 0.50 0.66 -0.76 -0.44 -0.87 0.00 0.00 176.83 175.93 1k1i s SER 147 N -6.61 2.10 0.00 4.97 0.01 -1.26 -4.55 113.70 108.35 1k1i s SER 147 Ca 0.01 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1k1i s SER 147 Cb 0.10 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1k1i s SER 147 CO 0.76 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.73 1k1i n GLY 148 N 5.19 -0.76 2.96 3.44 0.00 -1.26 -5.06 105.19 109.71 1k1i n GLY 148 Ca -0.07 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.62 1k1i n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1i s THR 149 N -0.16 -0.02 -0.30 2.61 2.01 -1.26 -4.65 115.64 113.87 1k1i s THR 149 Ca 0.00 0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.06 1k1i s THR 149 Cb 0.00 -0.21 0.19 0.00 0.01 0.00 0.00 72.50 72.49 1k1i s THR 149 CO 0.00 0.04 0.73 -0.55 -0.69 0.00 0.00 174.62 174.14 1k1i s SER 150 N 0.60 -1.17 -0.22 3.53 0.15 -1.26 -4.99 113.70 110.34 1k1i s SER 150 Ca -0.04 0.56 -0.14 0.00 0.70 0.00 0.00 55.95 57.03 1k1i s SER 150 Cb -0.06 1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 66.12 1k1i s SER 150 CO -0.03 -0.22 0.30 -0.31 1.20 0.00 0.00 173.24 174.18 1k1i s TYR 151 N 2.88 3.35 0.66 3.44 2.02 -1.26 -1.54 117.35 126.89 1k1i s TYR 151 Ca 0.15 0.45 -0.11 0.00 -0.37 0.00 0.00 57.07 57.19 1k1i s TYR 151 Cb -0.12 -2.42 -0.02 0.00 -0.40 0.00 0.00 41.96 39.01 1k1i s TYR 151 CO -0.20 0.03 1.05 -1.25 -1.57 0.00 0.00 175.55 173.60 1k1i s PRO 152 N 1.19 3.28 -0.06 -1.71 0.04 -1.26 -5.00 135.00 131.48 1k1i s PRO 152 Ca 0.14 0.78 0.20 0.00 0.04 0.00 0.00 61.00 62.16 1k1i s PRO 152 Cb -0.14 -2.04 -0.30 0.00 0.04 0.00 0.00 34.50 32.06 1k1i s PRO 152 CO 0.06 -0.81 0.37 -0.25 0.04 0.00 0.00 177.00 176.42 1k1i n ASP 153 N -2.91 0.32 -4.85 6.66 8.00 -1.26 -4.90 116.55 117.61 1k1i n ASP 153 Ca 0.07 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.31 1k1i n ASP 153 Cb 0.54 1.73 -0.05 0.00 -0.02 0.00 0.00 41.12 43.33 1k1i n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1k1i s VAL 154 N -3.22 4.76 0.25 2.53 -7.23 -1.26 -0.82 120.40 115.41 1k1i s VAL 154 Ca -0.08 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.82 1k1i s VAL 154 Cb 0.12 -3.45 -0.10 0.00 0.56 0.00 0.00 36.38 33.51 1k1i s VAL 154 CO 0.84 -0.12 1.44 -0.22 -0.31 0.00 0.00 175.10 176.73 1k1i s LEU 155 N -3.19 4.38 0.03 1.32 2.96 -1.22 -4.85 118.68 118.11 1k1i s LEU 155 Ca 0.32 2.68 0.03 0.00 -0.22 0.00 0.00 54.13 56.94 1k1i s LEU 155 Cb -0.10 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1k1i s LEU 155 CO 0.25 -0.71 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.00 1k1i s LYS 156 N -0.39 2.58 0.15 1.98 -0.14 -0.91 -2.13 119.74 120.88 1k1i s LYS 156 Ca 0.59 -0.74 0.10 0.00 -1.36 0.00 0.00 55.97 54.56 1k1i s LYS 156 Cb -0.42 -2.54 -0.04 0.00 -1.68 0.00 0.00 37.83 33.15 1k1i s LYS 156 CO 0.43 0.59 -0.22 0.00 -0.76 0.00 0.00 175.35 175.40 1k1i s LEU 158 N -2.36 0.30 -0.17 0.00 2.96 0.56 -0.92 118.68 119.06 1k1i s LEU 158 Ca 0.14 0.62 -0.13 0.00 -0.22 0.00 0.00 54.13 54.54 1k1i s LEU 158 Cb -0.08 0.89 -0.05 0.00 0.50 0.00 0.00 46.19 47.46 1k1i s LEU 158 CO 0.07 -0.17 0.25 -0.54 -1.32 0.00 0.00 176.35 174.64 1k1i s LYS 159 N 1.26 4.23 -0.19 1.98 1.02 -1.26 -0.27 119.74 126.50 1k1i s LYS 159 Ca -0.09 0.02 -0.17 0.00 0.02 0.00 0.00 55.97 55.75 1k1i s LYS 159 Cb -0.10 -3.42 0.05 0.00 -0.52 0.00 0.00 37.83 33.84 1k1i s LYS 159 CO -0.09 0.26 0.51 0.00 -0.92 0.00 0.00 175.35 175.10 1k1i s ALA 160 N 0.43 -1.27 0.38 5.17 0.00 -0.33 -4.96 121.76 121.18 1k1i s ALA 160 Ca 0.15 1.49 -0.18 0.00 0.00 0.00 0.00 51.96 53.42 1k1i s ALA 160 Cb -0.12 -0.87 -0.10 0.00 0.00 0.00 0.00 23.12 22.02 1k1i s ALA 160 CO 0.02 -0.25 0.85 -1.25 0.00 0.00 0.00 175.76 175.13 1k1i s PRO 161 N 0.43 4.12 0.10 0.00 0.04 -1.26 -1.34 135.00 137.08 1k1i s PRO 161 Ca -0.01 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.63 1k1i s PRO 161 Cb -0.04 -2.30 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 1k1i s PRO 161 CO -0.01 0.05 1.14 0.42 0.04 0.00 0.00 177.00 178.64 1k1i s ILE 162 N -2.10 4.06 0.43 0.56 1.01 -0.45 -1.91 121.20 122.81 1k1i s ILE 162 Ca 0.58 1.57 -0.04 0.00 0.00 0.00 0.00 60.65 62.76 1k1i s ILE 162 Cb -0.10 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1k1i s ILE 162 CO 0.15 0.18 0.71 -0.76 0.00 0.00 0.00 174.94 175.23 1k1i s LEU 163 N 0.53 3.76 0.72 2.97 1.43 0.18 -0.60 118.68 127.67 1k1i s LEU 163 Ca 0.55 0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 54.33 1k1i s LEU 163 Cb -0.29 -3.74 0.03 0.00 0.03 0.00 0.00 46.19 42.22 1k1i s LEU 163 CO 0.31 -0.47 1.12 -0.94 0.23 0.00 0.00 176.35 176.59 1k1i s SER 164 N -3.95 4.69 0.42 2.29 1.04 -1.26 -4.58 113.70 112.35 1k1i s SER 164 Ca 0.46 1.99 0.12 0.00 0.48 0.00 0.00 55.95 59.00 1k1i s SER 164 Cb -0.10 -2.55 0.91 0.00 0.10 0.00 0.00 66.02 64.38 1k1i s SER 164 CO 0.41 -1.91 1.96 0.44 0.98 0.00 0.00 173.24 175.12 1k1i h ASP 165 N -0.48 0.10 -0.10 7.02 3.32 -1.97 -1.87 116.42 122.44 1k1i h ASP 165 Ca -0.46 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1k1i h ASP 165 Cb 1.25 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1k1i h ASP 165 CO 0.52 0.27 -0.02 0.77 -1.72 0.00 0.00 179.24 179.05 1k1i h SER 166 N 0.10 0.20 -0.39 6.45 4.64 -1.99 -0.55 113.55 122.02 1k1i h SER 166 Ca 0.02 -0.37 -0.09 0.00 -0.47 0.00 0.00 61.79 60.89 1k1i h SER 166 Cb 0.34 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1k1i h SER 166 CO 0.02 0.52 -0.06 0.77 -0.87 0.00 0.00 176.83 177.21 1k1i h SER 167 N -0.12 0.79 0.09 4.97 4.64 -1.90 -0.69 113.55 121.32 1k1i h SER 167 Ca 0.03 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1k1i h SER 167 Cb 0.43 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1k1i h SER 167 CO 0.01 0.89 -0.04 0.00 -0.87 0.00 0.00 176.83 176.82 1k1i h LYS 169 N -0.18 0.32 -0.04 0.00 1.57 -0.95 -1.97 116.57 115.33 1k1i h LYS 169 Ca -0.01 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 1k1i h LYS 169 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1k1i h LYS 169 CO 0.02 0.51 -0.59 0.77 -0.57 0.00 0.00 179.45 179.58 1k1i h SER 170 N 0.30 0.15 0.20 0.86 0.02 -0.91 -2.62 113.55 111.55 1k1i h SER 170 Ca 0.05 -0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 60.73 1k1i h SER 170 Cb 0.50 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1k1i h SER 170 CO 0.03 0.71 -0.72 0.00 -1.14 0.00 0.00 176.83 175.71 1k1i h ALA 171 N 1.29 0.58 -2.54 3.77 0.00 -0.66 -3.38 119.26 118.32 1k1i h ALA 171 Ca -0.01 -0.60 -0.60 0.00 0.00 0.00 0.00 54.91 53.71 1k1i h ALA 171 Cb 1.07 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.40 1k1i h ALA 171 CO 0.09 0.75 -0.78 0.66 0.00 0.00 0.00 179.25 179.97 1k1i n TYR 172 N -3.86 1.57 -1.65 0.00 4.02 -0.78 -4.90 117.16 111.56 1k1i n TYR 172 Ca -0.04 -3.88 -0.49 0.00 -0.01 0.00 0.00 57.90 53.47 1k1i n TYR 172 Cb 0.70 -0.31 -0.05 0.00 -0.02 0.00 0.00 39.34 39.66 1k1i n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1k1i n PRO 173 N 1.92 1.71 -1.65 -0.72 -0.02 -1.00 -2.43 135.00 132.81 1k1i n PRO 173 Ca 0.25 0.62 -0.18 0.00 -2.02 0.00 0.00 63.50 62.17 1k1i n PRO 173 Cb 0.43 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 1k1i n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k1i n GLY 174 N 3.31 1.49 0.00 -1.23 0.00 -1.26 -4.83 105.19 102.66 1k1i n GLY 174 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1k1i n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k1i n GLN 175 N -2.51 3.83 -3.24 1.61 6.02 -1.02 -5.02 117.38 117.06 1k1i n GLN 175 Ca -0.19 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.41 1k1i n GLN 175 Cb 0.61 -0.61 -0.07 0.00 1.02 0.00 0.00 30.24 31.20 1k1i n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1k1i s ILE 176 N -1.13 5.10 0.47 5.09 -1.09 -1.25 -5.03 121.20 123.35 1k1i s ILE 176 Ca 0.00 0.97 0.07 0.00 -2.23 0.00 0.00 60.65 59.47 1k1i s ILE 176 Cb 0.00 -3.85 0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1k1i s ILE 176 CO 0.00 0.18 0.45 0.42 -1.23 0.00 0.00 174.94 174.77 1k1i s THR 177 N 1.58 2.35 -1.35 2.92 -4.23 -1.26 -4.99 115.64 110.65 1k1i s THR 177 Ca 0.25 -1.32 0.08 0.00 -1.18 0.00 0.00 61.69 59.52 1k1i s THR 177 Cb -0.15 -2.67 0.12 0.00 1.34 0.00 0.00 72.50 71.14 1k1i s THR 177 CO 0.10 0.00 1.14 -1.54 -0.54 0.00 0.00 174.62 173.77 1k1i n SER 178 N -1.72 0.00 -1.28 3.99 3.41 -1.26 -1.96 113.62 114.81 1k1i n SER 178 Ca 0.04 0.23 0.08 0.00 -0.26 0.00 0.00 58.87 58.96 1k1i n SER 178 Cb 0.62 -0.32 0.31 0.00 -0.26 0.00 0.00 64.21 64.56 1k1i n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k1i n ASN 179 N -1.32 4.49 -4.14 4.04 3.02 -1.26 -4.94 115.26 115.15 1k1i n ASN 179 Ca 0.03 -2.81 -0.13 0.00 -0.03 0.00 0.00 54.58 51.64 1k1i n ASN 179 Cb 0.07 -0.56 -0.11 0.00 -0.61 0.00 0.00 39.78 38.57 1k1i n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1k1i s MET 180 N -2.49 0.75 -0.04 3.52 -1.94 -0.83 -0.68 119.30 117.60 1k1i s MET 180 Ca 0.46 -1.08 -0.13 0.00 -1.71 0.00 0.00 55.69 53.23 1k1i s MET 180 Cb 0.34 -0.40 0.02 0.00 2.01 0.00 0.00 34.83 36.81 1k1i s MET 180 CO 0.14 0.05 0.28 -0.59 -0.01 0.00 0.00 175.02 174.90 1k1i s PHE 181 N -2.37 -0.19 0.07 -0.03 -0.12 -0.27 -4.79 117.98 110.29 1k1i s PHE 181 Ca 0.02 0.35 -0.09 0.00 -0.05 0.00 0.00 56.93 57.16 1k1i s PHE 181 Cb -0.03 0.08 -0.06 0.00 -0.63 0.00 0.00 43.02 42.38 1k1i s PHE 181 CO -0.01 -0.31 0.38 0.00 -0.05 0.00 0.00 175.22 175.22 1k1i s ALA 183 N -1.41 -0.67 0.00 0.00 0.00 -0.82 -0.64 121.76 118.23 1k1i s ALA 183 Ca 0.33 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1k1i s ALA 183 Cb -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1k1i s ALA 183 CO 0.18 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1k1i n GLY 184 N 3.31 0.50 2.85 0.00 0.00 -0.80 -2.81 105.19 108.25 1k1i n GLY 184 Ca -0.16 -1.38 -0.21 0.00 0.00 0.00 0.00 46.02 44.27 1k1i n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k1i s TYR 184 N -4.00 0.72 0.20 1.61 1.51 -1.26 -4.43 117.35 111.70 1k1i s TYR 184 Ca 0.00 -0.20 0.35 0.00 -1.01 0.00 0.00 57.07 56.21 1k1i s TYR 184 Cb 0.00 -0.71 1.67 0.00 -0.11 0.00 0.00 41.96 42.81 1k1i s TYR 184 CO 0.00 -0.24 2.06 -0.07 -1.11 0.00 0.00 175.55 176.19 1k1i h LEU 185 N 7.57 0.00 -0.50 -1.29 3.38 -1.95 -1.45 115.31 121.07 1k1i h LEU 185 Ca -0.32 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.52 1k1i h LEU 185 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1k1i h LEU 185 CO 0.40 0.00 -0.59 -0.33 0.09 0.00 0.00 178.44 178.01 1k1i h GLU 186 N 0.00 0.00 0.00 1.13 3.07 -1.95 0.43 114.58 117.26 1k1i h GLU 186 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1k1i h GLU 186 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1k1i h GLU 186 CO 0.00 0.59 0.00 0.41 -1.40 0.00 0.00 179.01 178.61 1k1i n GLY 187 N 0.69 -2.38 2.79 -3.84 0.00 -0.55 -4.31 105.19 97.59 1k1i n GLY 187 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1k1i n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1i n GLY 188 N -0.13 3.08 2.77 -0.02 0.00 -0.34 -4.91 105.19 105.64 1k1i n GLY 188 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1k1i n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1i s LYS 188 N -0.29 0.24 -0.20 1.61 1.02 -1.26 -3.69 119.74 117.17 1k1i s LYS 188 Ca 0.00 0.16 -0.36 0.00 0.02 0.00 0.00 55.97 55.79 1k1i s LYS 188 Cb 0.00 -0.56 0.15 0.00 -0.52 0.00 0.00 37.83 36.90 1k1i s LYS 188 CO 0.00 -0.21 1.38 0.34 -0.92 0.00 0.00 175.35 175.94 1k1i s ASP 189 N 1.46 -0.02 0.90 2.83 3.68 -0.60 -4.33 116.67 120.58 1k1i s ASP 189 Ca -0.04 -0.01 -0.14 0.00 2.13 0.00 0.00 52.55 54.49 1k1i s ASP 189 Cb -0.13 0.03 0.14 0.00 -1.45 0.00 0.00 42.92 41.52 1k1i s ASP 189 CO -0.03 -0.05 1.24 -0.94 0.13 0.00 0.00 175.17 175.52 1k1i s SER 190 N -2.40 3.71 0.23 -0.34 1.04 -1.26 0.11 113.70 114.79 1k1i s SER 190 Ca 0.13 0.56 -0.06 0.00 0.48 0.00 0.00 55.95 57.05 1k1i s SER 190 Cb 0.02 -0.85 0.03 0.00 0.10 0.00 0.00 66.02 65.32 1k1i s SER 190 CO -0.04 -2.39 0.41 0.00 0.98 0.00 0.00 173.24 172.21 1k1i n GLN 192 N -0.32 1.96 0.00 0.00 0.00 -1.26 -1.18 117.38 116.58 1k1i n GLN 192 Ca -0.04 0.71 0.00 0.00 -0.00 0.00 0.00 57.00 57.68 1k1i n GLN 192 Cb 0.35 -2.50 0.00 0.00 0.00 0.00 0.00 30.24 28.09 1k1i n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1k1i n GLY 193 N 3.85 2.53 0.05 1.69 0.00 -1.26 -0.98 105.19 111.07 1k1i n GLY 193 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1k1i n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k1i n ASP 194 N 0.00 0.66 -4.50 1.61 10.43 -0.32 -3.87 116.55 120.55 1k1i n ASP 194 Ca 0.00 -0.01 -0.51 0.00 2.57 0.00 0.00 54.79 56.84 1k1i n ASP 194 Cb 0.00 0.42 -0.05 0.00 1.84 0.00 0.00 41.12 43.33 1k1i n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1k1i n SER 195 N -2.04 0.17 0.00 -2.24 7.64 -1.26 -0.90 113.62 114.99 1k1i n SER 195 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1k1i n SER 195 Cb 0.44 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1k1i n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k1i n GLY 196 N 1.82 2.56 3.66 0.23 0.00 0.04 -0.39 105.19 113.12 1k1i n GLY 196 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1k1i n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1i s GLY 197 N -1.83 1.59 0.35 -0.02 0.00 -0.07 -3.29 107.32 104.05 1k1i s GLY 197 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 44.72 44.44 1k1i s GLY 197 CO 0.00 0.46 0.82 2.56 0.00 0.00 0.00 173.10 176.93 1k1i s PRO 198 N -4.83 4.13 -0.32 2.90 0.04 -1.26 -1.03 135.00 134.64 1k1i s PRO 198 Ca 0.65 0.87 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 1k1i s PRO 198 Cb -0.20 -2.41 0.10 0.00 0.04 0.00 0.00 34.50 32.03 1k1i s PRO 198 CO 0.59 0.13 0.10 0.08 0.04 0.00 0.00 177.00 177.94 1k1i s VAL 199 N -1.98 1.05 -0.20 -0.36 1.01 -0.71 -3.42 120.40 115.79 1k1i s VAL 199 Ca 0.55 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 1k1i s VAL 199 Cb -0.11 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1k1i s VAL 199 CO 0.17 -0.69 0.16 -0.69 0.00 0.00 0.00 175.10 174.05 1k1i s VAL 200 N 1.45 5.39 -0.03 2.92 1.01 -0.66 -1.15 120.40 129.34 1k1i s VAL 200 Ca 0.11 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.34 1k1i s VAL 200 Cb -0.18 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1k1i s VAL 200 CO -0.22 0.42 -0.03 0.00 0.00 0.00 0.00 175.10 175.28 1k1i n SER 202 N 3.78 -5.49 0.00 0.00 7.64 -1.26 -1.73 113.62 116.56 1k1i n SER 202 Ca -0.23 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1k1i n SER 202 Cb 0.53 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.16 1k1i n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k1i n GLY 203 N -1.05 0.47 3.41 0.23 0.00 -1.26 -5.02 105.19 101.97 1k1i n GLY 203 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1k1i n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1i s LYS 204 N -0.38 1.51 -0.48 1.61 -0.14 -0.70 -4.36 119.74 116.80 1k1i s LYS 204 Ca 0.00 -1.66 -0.28 0.00 -1.36 0.00 0.00 55.97 52.68 1k1i s LYS 204 Cb 0.00 -1.51 0.03 0.00 -1.68 0.00 0.00 37.83 34.67 1k1i s LYS 204 CO 0.00 0.28 1.07 -1.17 -0.76 0.00 0.00 175.35 174.77 1k1i s LEU 209 N -3.30 3.76 -0.11 3.17 2.96 -0.12 -1.39 118.68 123.64 1k1i s LEU 209 Ca 0.25 0.33 0.17 0.00 -0.22 0.00 0.00 54.13 54.66 1k1i s LEU 209 Cb -0.04 -3.42 -0.25 0.00 0.50 0.00 0.00 46.19 42.98 1k1i s LEU 209 CO 0.11 -1.20 0.21 0.00 -1.32 0.00 0.00 176.35 174.15 1k1i n GLN 210 N 7.64 0.90 -4.13 1.98 1.13 -0.30 -3.91 117.38 120.69 1k1i n GLN 210 Ca 0.10 -0.08 -0.11 0.00 -1.94 0.00 0.00 57.00 54.97 1k1i n GLN 210 Cb 0.49 -1.45 -0.08 0.00 0.11 0.00 0.00 30.24 29.31 1k1i n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1k1i s GLY 211 N -4.77 1.16 -0.05 1.08 0.00 -0.61 -1.76 107.32 102.38 1k1i s GLY 211 Ca -0.08 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.23 1k1i s GLY 211 CO 0.75 -1.12 -0.06 -0.42 0.00 0.00 0.00 173.10 172.26 1k1i s ILE 212 N -4.04 0.62 -0.06 0.90 1.01 -1.13 -1.74 121.20 116.76 1k1i s ILE 212 Ca 0.33 -0.18 -0.31 0.00 0.00 0.00 0.00 60.65 60.50 1k1i s ILE 212 Cb 0.04 -0.63 -0.09 0.00 0.01 0.00 0.00 42.46 41.79 1k1i s ILE 212 CO 0.12 0.24 2.02 0.52 0.00 0.00 0.00 174.94 177.84 1k1i n VAL 213 N 4.00 0.62 -0.00 2.92 0.31 -0.19 -1.73 118.33 124.25 1k1i n VAL 213 Ca -0.25 -0.21 -0.01 0.00 -0.01 0.00 0.00 64.34 63.86 1k1i n VAL 213 Cb 0.51 -2.26 -0.00 0.00 -0.91 0.00 0.00 33.84 31.18 1k1i n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1k1i n SER 214 N 8.37 0.54 -2.66 4.52 2.88 -1.06 -0.78 113.62 125.44 1k1i n SER 214 Ca 0.24 0.08 -0.09 0.00 -1.33 0.00 0.00 58.87 57.77 1k1i n SER 214 Cb 0.39 -0.31 0.02 0.00 -0.75 0.00 0.00 64.21 63.56 1k1i n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1k1i n TRP 215 N -3.02 -2.20 0.00 0.66 4.27 -0.76 -4.91 117.44 111.49 1k1i n TRP 215 Ca -0.02 -1.75 0.00 0.00 -3.89 0.00 0.00 57.50 51.84 1k1i n TRP 215 Cb 0.08 0.83 0.00 0.00 -1.36 0.00 0.00 31.31 30.86 1k1i n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1k1i n GLY 216 N -0.50 0.92 3.43 -1.67 0.00 -1.26 -0.28 105.19 105.84 1k1i n GLY 216 Ca -0.07 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 44.84 1k1i n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k1i s SER 217 N 0.00 6.19 0.28 1.61 0.15 -1.26 -4.87 113.70 115.80 1k1i s SER 217 Ca 0.00 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.58 1k1i s SER 217 Cb 0.00 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1k1i s SER 217 CO 0.00 -1.29 0.00 0.61 1.20 0.00 0.00 173.24 173.76 1k1i n GLY 219 N 5.29 -0.54 2.78 9.45 0.00 -1.26 -4.63 105.19 116.28 1k1i n GLY 219 Ca -0.05 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 1k1i n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1i n ALA 221 N 4.06 -0.55 -1.94 0.00 0.00 -1.26 -4.55 120.51 116.26 1k1i n ALA 221 Ca -0.26 0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 1k1i n ALA 221 Cb 0.51 -2.05 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 1k1i n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1k1i s GLN 221 N -4.67 4.07 0.18 0.00 -1.52 -1.26 -1.20 119.66 115.25 1k1i s GLN 221 Ca 0.00 0.91 -0.30 0.00 -1.95 0.00 0.00 55.36 54.01 1k1i s GLN 221 Cb 0.00 -2.25 -0.09 0.00 -0.22 0.00 0.00 33.01 30.45 1k1i s GLN 221 CO 0.00 -0.04 1.34 0.21 -0.25 0.00 0.00 175.29 176.56 1k1i s LYS 222 N -3.39 4.36 -0.44 2.91 2.20 -1.26 -2.55 119.74 121.58 1k1i s LYS 222 Ca 0.58 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 58.27 1k1i s LYS 222 Cb -0.10 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1k1i s LYS 222 CO 0.20 -0.32 0.00 0.09 -0.36 0.00 0.00 175.35 174.96 1k1i n ASN 223 N 3.02 -4.73 -3.28 1.43 3.02 0.15 -4.92 115.26 109.94 1k1i n ASN 223 Ca 0.08 0.10 -0.25 0.00 -0.03 0.00 0.00 54.58 54.48 1k1i n ASN 223 Cb 0.42 -2.59 -0.07 0.00 -0.61 0.00 0.00 39.78 36.93 1k1i n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k1i n LYS 224 N -1.23 1.85 -0.88 3.52 4.76 -1.06 -4.71 118.16 120.41 1k1i n LYS 224 Ca -0.04 -4.10 -0.29 0.00 -2.87 0.00 0.00 58.31 51.01 1k1i n LYS 224 Cb 0.34 -1.85 0.20 0.00 -1.84 0.00 0.00 35.03 31.88 1k1i n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1k1i s PRO 225 N -2.10 0.12 0.35 1.97 0.04 -1.26 -4.36 135.00 129.75 1k1i s PRO 225 Ca 0.39 0.81 -0.26 0.00 0.04 0.00 0.00 61.00 61.98 1k1i s PRO 225 Cb 0.18 -1.68 -0.09 0.00 0.04 0.00 0.00 34.50 32.95 1k1i s PRO 225 CO -0.06 -3.02 1.01 0.20 0.04 0.00 0.00 177.00 175.17 1k1i s GLY 226 N -3.00 2.82 -0.15 0.56 0.00 -1.12 -4.60 107.32 101.83 1k1i s GLY 226 Ca 0.66 0.66 -0.04 0.00 0.00 0.00 0.00 44.72 46.01 1k1i s GLY 226 CO 0.60 1.13 -0.03 0.14 0.00 0.00 0.00 173.10 174.94 1k1i s VAL 227 N -1.55 3.99 0.09 1.40 1.01 0.61 -1.94 120.40 124.01 1k1i s VAL 227 Ca 0.52 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 62.26 1k1i s VAL 227 Cb -0.22 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1k1i s VAL 227 CO 0.28 0.50 -0.22 -0.31 0.00 0.00 0.00 175.10 175.35 1k1i s TYR 228 N 0.26 1.92 0.09 5.22 2.02 0.48 -1.82 117.35 125.53 1k1i s TYR 228 Ca -0.02 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 55.97 1k1i s TYR 228 Cb -0.14 -1.08 -0.07 0.00 -0.40 0.00 0.00 41.96 40.27 1k1i s TYR 228 CO 0.03 0.20 1.36 0.99 -1.57 0.00 0.00 175.55 176.55 1k1i s THR 229 N -1.03 3.49 -0.88 -0.71 2.01 -0.71 -1.12 115.64 116.70 1k1i s THR 229 Ca 0.08 1.05 -0.25 0.00 0.31 0.00 0.00 61.69 62.88 1k1i s THR 229 Cb -0.10 -3.67 0.05 0.00 0.01 0.00 0.00 72.50 68.79 1k1i s THR 229 CO 0.04 0.07 1.34 -0.75 -0.69 0.00 0.00 174.62 174.63 1k1i s LYS 230 N 1.27 3.39 0.35 4.92 2.20 0.15 -2.83 119.74 129.20 1k1i s LYS 230 Ca 0.63 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 55.54 1k1i s LYS 230 Cb -0.35 -4.77 0.67 0.00 -1.51 0.00 0.00 37.83 31.87 1k1i s LYS 230 CO 0.30 -2.15 1.99 0.28 -0.36 0.00 0.00 175.35 175.41 1k1i h VAL 231 N 6.38 1.12 -0.26 4.02 2.07 -1.66 -2.86 116.25 125.05 1k1i h VAL 231 Ca -0.04 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.27 1k1i h VAL 231 Cb 1.03 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1k1i h VAL 231 CO 1.34 0.15 0.31 0.00 0.02 0.00 0.00 177.57 179.39 1k1i n ASN 233 N -3.71 0.44 -0.54 0.00 3.02 -1.08 -3.67 115.26 109.71 1k1i n ASN 233 Ca 0.04 0.55 0.06 0.00 -0.03 0.00 0.00 54.58 55.20 1k1i n ASN 233 Cb 0.45 -0.67 0.08 0.00 -0.61 0.00 0.00 39.78 39.03 1k1i n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1k1i n TYR 234 N -1.92 0.12 -0.28 3.10 4.01 0.66 -4.73 117.16 118.11 1k1i n TYR 234 Ca 0.06 -0.11 0.05 0.00 -0.16 0.00 0.00 57.90 57.73 1k1i n TYR 234 Cb 0.36 -0.01 0.19 0.00 -0.31 0.00 0.00 39.34 39.57 1k1i n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1k1i h VAL 235 N 2.38 0.79 -0.37 -0.72 2.07 -1.61 -0.34 116.25 118.46 1k1i h VAL 235 Ca 0.00 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1k1i h VAL 235 Cb 0.57 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1k1i h VAL 235 CO 0.00 0.12 0.01 0.28 0.02 0.00 0.00 177.57 178.00 1k1i h SER 236 N 0.64 0.63 -0.46 0.57 0.02 -1.87 -0.83 113.55 112.24 1k1i h SER 236 Ca 0.41 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1k1i h SER 236 Cb 0.51 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1k1i h SER 236 CO -0.32 0.77 0.30 -0.25 -1.14 0.00 0.00 176.83 176.20 1k1i h TRP 237 N 0.46 0.58 0.80 3.45 7.01 -1.71 -1.36 115.95 125.18 1k1i h TRP 237 Ca 0.11 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.08 1k1i h TRP 237 Cb 0.44 -0.20 0.01 0.00 -2.10 0.00 0.00 29.16 27.31 1k1i h TRP 237 CO 0.03 0.36 -0.38 0.82 -2.79 0.00 0.00 178.44 176.48 1k1i h ILE 238 N 0.62 0.21 -0.74 2.65 2.04 -0.92 -1.76 117.51 119.62 1k1i h ILE 238 Ca 0.17 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 66.11 1k1i h ILE 238 Cb -0.07 0.21 -0.07 0.00 -0.74 0.00 0.00 36.82 36.15 1k1i h ILE 238 CO -0.04 0.00 0.39 0.11 0.00 0.00 0.00 178.15 178.62 1k1i h LYS 239 N -1.08 0.64 -0.54 2.37 1.57 -1.09 -1.23 116.57 117.21 1k1i h LYS 239 Ca -0.11 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 1k1i h LYS 239 Cb 0.82 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1k1i h LYS 239 CO 0.18 0.43 0.09 1.96 -0.57 0.00 0.00 179.45 181.54 1k1i h GLN 240 N 0.66 0.90 -0.25 3.15 4.20 -1.20 -1.73 115.11 120.84 1k1i h GLN 240 Ca 0.36 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1k1i h GLN 240 Cb 0.36 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1k1i h GLN 240 CO -0.26 0.87 -0.01 1.15 -0.67 0.00 0.00 178.83 179.91 1k1i h THR 241 N 0.79 1.26 -0.96 -0.54 2.02 -0.95 -2.86 112.91 111.67 1k1i h THR 241 Ca 0.17 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 1k1i h THR 241 Cb 0.40 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 1k1i h THR 241 CO 0.01 0.30 0.59 0.40 0.37 0.00 0.00 175.52 177.19 1k1i h ILE 242 N 0.23 1.26 0.00 3.11 2.04 -1.18 -1.93 117.51 121.04 1k1i h ILE 242 Ca 0.07 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1k1i h ILE 242 Cb 0.44 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1k1i h ILE 242 CO 0.02 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.43 1k1i h ALA 243 N 1.33 1.00 0.00 1.87 0.00 -1.22 -3.23 119.26 119.01 1k1i h ALA 243 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1k1i h ALA 243 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1k1i h ALA 243 CO -0.07 0.00 -0.00 0.43 0.00 0.00 0.00 179.25 179.61 1k1i n SER 244 N -2.59 1.86 0.00 0.00 7.64 -0.96 -5.09 113.62 114.46 1k1i n SER 244 Ca 0.02 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.89 1k1i n SER 244 Cb 0.27 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1k1i n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62