#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zzz s VAL 17 N 0.00 4.32 0.00 1.39 1.01 0.28 -3.74 120.40 123.66 1zzz s VAL 17 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1zzz s VAL 17 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1zzz s VAL 17 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1zzz n GLY 18 N 3.74 0.52 0.00 4.51 0.00 -1.24 -0.97 105.19 111.76 1zzz n GLY 18 Ca -0.17 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1zzz n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zzz n GLY 19 N -2.81 3.38 3.39 -0.02 0.00 -1.26 -4.89 105.19 102.97 1zzz n GLY 19 Ca 0.00 -2.07 -0.19 0.00 0.00 0.00 0.00 46.02 43.76 1zzz n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1zzz s TYR 20 N 1.33 1.77 0.11 1.61 1.13 -0.26 -4.91 117.35 118.13 1zzz s TYR 20 Ca 0.00 -1.07 -0.31 0.00 -1.41 0.00 0.00 57.07 54.28 1zzz s TYR 20 Cb 0.00 -1.11 -0.09 0.00 -1.10 0.00 0.00 41.96 39.67 1zzz s TYR 20 CO 0.00 -0.16 1.52 0.99 -2.51 0.00 0.00 175.55 175.39 1zzz s THR 21 N -3.50 3.01 0.20 -3.49 2.01 -1.26 -0.52 115.64 112.09 1zzz s THR 21 Ca 0.37 0.66 -0.04 0.00 0.31 0.00 0.00 61.69 62.99 1zzz s THR 21 Cb 0.08 -3.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 1zzz s THR 21 CO 0.15 0.03 1.56 0.00 -0.69 0.00 0.00 174.62 175.67 1zzz n GLY 23 N 0.03 2.45 3.68 0.00 0.00 -1.26 -4.83 105.19 105.26 1zzz n GLY 23 Ca -0.02 -1.55 -0.45 0.00 0.00 0.00 0.00 46.02 44.01 1zzz n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zzz n ALA 24 N 1.57 1.41 -1.82 4.61 0.00 -1.26 -2.23 120.51 122.79 1zzz n ALA 24 Ca 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.73 1zzz n ALA 24 Cb 0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.08 1zzz n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1zzz n ASN 25 N 2.73 -3.75 -0.24 0.00 3.02 -1.26 -4.85 115.26 110.92 1zzz n ASN 25 Ca 0.14 0.26 0.14 0.00 -0.03 0.00 0.00 54.58 55.09 1zzz n ASN 25 Cb 0.31 -3.35 0.56 0.00 -0.61 0.00 0.00 39.78 36.69 1zzz n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1zzz n THR 26 N -2.53 0.00 -3.43 3.41 -2.24 -0.95 -4.18 114.28 104.37 1zzz n THR 26 Ca -0.14 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.25 1zzz n THR 26 Cb 0.51 0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.80 1zzz n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1zzz n VAL 27 N -0.56 -0.01 0.36 2.28 0.31 -1.26 -4.98 118.33 114.46 1zzz n VAL 27 Ca 0.16 -4.13 0.12 0.00 -0.01 0.00 0.00 64.34 60.49 1zzz n VAL 27 Cb 0.30 -1.91 0.53 0.00 -0.91 0.00 0.00 33.84 31.85 1zzz n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1zzz h PRO 28 N 4.89 0.00 -0.01 5.55 0.13 -1.83 -1.81 132.00 138.92 1zzz h PRO 28 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1zzz h PRO 28 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1zzz h PRO 28 CO 0.53 0.00 -0.14 2.48 -0.23 0.00 0.00 178.00 180.64 1zzz n TYR 29 N -2.32 0.00 -2.59 1.56 0.18 -1.16 -2.39 117.16 110.45 1zzz n TYR 29 Ca 0.01 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.38 1zzz n TYR 29 Cb 0.21 -0.06 -0.04 0.00 -0.38 0.00 0.00 39.34 39.07 1zzz n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1zzz s GLN 30 N -2.26 4.60 0.29 -3.48 2.00 -0.68 -0.87 119.66 119.26 1zzz s GLN 30 Ca 0.30 1.62 0.11 0.00 -2.00 0.00 0.00 55.36 55.39 1zzz s GLN 30 Cb 0.20 -3.33 -0.05 0.00 0.80 0.00 0.00 33.01 30.62 1zzz s GLN 30 CO 0.43 0.06 -0.14 0.14 -0.50 0.00 0.00 175.29 175.28 1zzz s VAL 31 N 0.13 2.59 -0.11 1.34 -7.23 0.54 -4.44 120.40 113.22 1zzz s VAL 31 Ca 0.50 -2.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 1zzz s VAL 31 Cb -0.27 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 1zzz s VAL 31 CO 0.32 -0.35 -0.12 -0.55 -0.31 0.00 0.00 175.10 174.09 1zzz s SER 32 N -3.57 4.12 -0.17 4.85 0.15 -0.82 -2.00 113.70 116.26 1zzz s SER 32 Ca 0.31 -0.27 -0.13 0.00 0.70 0.00 0.00 55.95 56.56 1zzz s SER 32 Cb -0.04 -1.46 -0.05 0.00 -1.71 0.00 0.00 66.02 62.76 1zzz s SER 32 CO 0.16 0.21 0.27 -0.76 1.20 0.00 0.00 173.24 174.32 1zzz s LEU 33 N 0.09 4.24 0.01 3.45 1.43 0.47 -0.40 118.68 127.96 1zzz s LEU 33 Ca -0.05 0.46 0.06 0.00 -1.03 0.00 0.00 54.13 53.57 1zzz s LEU 33 Cb -0.15 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1zzz s LEU 33 CO 0.04 0.11 -0.18 0.21 0.23 0.00 0.00 176.35 176.76 1zzz s ASN 34 N 0.46 2.10 -0.25 2.29 3.84 0.90 -2.24 114.94 122.04 1zzz s ASN 34 Ca 0.15 -0.38 0.18 0.00 0.21 0.00 0.00 52.86 53.02 1zzz s ASN 34 Cb -0.13 -0.21 0.49 0.00 -0.55 0.00 0.00 41.25 40.85 1zzz s ASN 34 CO 0.03 0.18 1.14 -1.54 -2.79 0.00 0.00 177.10 174.12 1zzz n SER 37 N 2.37 2.59 0.00 -4.21 3.41 -1.26 -1.55 113.62 114.97 1zzz n SER 37 Ca -0.16 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 1zzz n SER 37 Cb 0.54 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1zzz n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1zzz n GLY 38 N -0.59 0.53 3.57 5.00 0.00 -1.26 -5.00 105.19 107.45 1zzz n GLY 38 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 1zzz n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1zzz s TYR 39 N -2.18 -0.21 -0.11 1.61 1.13 -1.26 -5.15 117.35 111.17 1zzz s TYR 39 Ca 0.00 0.10 -0.28 0.00 -1.41 0.00 0.00 57.07 55.48 1zzz s TYR 39 Cb 0.00 0.54 -0.01 0.00 -1.10 0.00 0.00 41.96 41.38 1zzz s TYR 39 CO 0.00 -0.40 0.95 -1.58 -2.51 0.00 0.00 175.55 172.00 1zzz s HIS 40 N -2.79 3.50 0.00 -3.49 5.65 -1.26 -4.34 115.29 112.56 1zzz s HIS 40 Ca 0.08 1.50 0.00 0.00 0.25 0.00 0.00 55.06 56.89 1zzz s HIS 40 Cb -0.01 -3.12 0.00 0.00 -1.18 0.00 0.00 32.58 28.27 1zzz s HIS 40 CO -0.06 -0.20 0.00 1.97 -0.65 0.00 0.00 174.74 175.80 1zzz n PHE 41 N 4.95 0.00 -3.92 3.88 1.16 -0.95 -4.99 117.46 117.58 1zzz n PHE 41 Ca 0.07 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.57 1zzz n PHE 41 Cb 0.49 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.32 1zzz n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1zzz n GLY 43 N -0.41 2.57 0.00 0.00 0.00 0.24 -0.40 105.19 107.19 1zzz n GLY 43 Ca -0.03 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1zzz n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zzz n GLY 44 N 4.87 0.92 3.27 -0.02 0.00 -0.85 -3.97 105.19 109.40 1zzz n GLY 44 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 1zzz n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zzz s SER 45 N 0.00 2.93 -0.14 1.61 0.01 -0.38 -0.34 113.70 117.39 1zzz s SER 45 Ca 0.00 -0.47 -0.29 0.00 1.31 0.00 0.00 55.95 56.49 1zzz s SER 45 Cb 0.00 -0.62 -0.01 0.00 0.21 0.00 0.00 66.02 65.60 1zzz s SER 45 CO 0.00 0.26 1.12 -0.22 0.41 0.00 0.00 173.24 174.81 1zzz s LEU 46 N -0.31 4.20 -0.01 2.44 2.96 -0.04 -0.89 118.68 127.03 1zzz s LEU 46 Ca 0.01 1.59 0.11 0.00 -0.22 0.00 0.00 54.13 55.63 1zzz s LEU 46 Cb -0.12 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.88 1zzz s LEU 46 CO 0.02 -0.61 0.35 2.30 -1.32 0.00 0.00 176.35 177.09 1zzz n ILE 47 N 4.95 0.00 -3.25 6.68 -5.35 -0.41 -0.47 119.36 121.51 1zzz n ILE 47 Ca 0.11 -0.25 -0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1zzz n ILE 47 Cb 0.47 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 1zzz n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1zzz n ASN 48 N -1.57 -0.02 0.06 7.28 2.04 -1.18 -4.51 115.26 117.37 1zzz n ASN 48 Ca 0.00 -1.01 0.11 0.00 -0.44 0.00 0.00 54.58 53.24 1zzz n ASN 48 Cb 0.23 0.03 0.45 0.00 -2.53 0.00 0.00 39.78 37.95 1zzz n ASN 48 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1zzz n SER 49 N -1.48 0.34 0.00 0.53 3.41 -1.26 -2.96 113.62 112.21 1zzz n SER 49 Ca -0.00 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1zzz n SER 49 Cb 0.01 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1zzz n SER 49 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1zzz n GLN 50 N -1.85 0.20 -4.29 4.33 7.27 -1.26 -0.66 117.38 121.10 1zzz n GLN 50 Ca 0.04 -0.32 -0.19 0.00 0.07 0.00 0.00 57.00 56.60 1zzz n GLN 50 Cb 0.27 -0.80 -0.15 0.00 2.41 0.00 0.00 30.24 31.97 1zzz n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1zzz s TRP 51 N -0.12 0.80 -0.02 3.69 0.52 -1.15 -0.50 118.94 122.16 1zzz s TRP 51 Ca 0.00 -0.20 0.04 0.00 0.02 0.00 0.00 56.10 55.97 1zzz s TRP 51 Cb 0.00 -0.60 -0.03 0.00 -1.15 0.00 0.00 33.47 31.69 1zzz s TRP 51 CO 0.00 -0.10 -0.14 0.08 0.02 0.00 0.00 176.95 176.81 1zzz s VAL 52 N 0.30 3.12 0.03 4.03 1.01 0.22 -1.29 120.40 127.82 1zzz s VAL 52 Ca -0.04 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 1zzz s VAL 52 Cb -0.09 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1zzz s VAL 52 CO 0.00 0.50 0.33 -0.69 0.00 0.00 0.00 175.10 175.24 1zzz s VAL 53 N -0.83 5.20 0.00 2.92 1.01 -0.07 -0.46 120.40 128.17 1zzz s VAL 53 Ca 0.13 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1zzz s VAL 53 Cb -0.11 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1zzz s VAL 53 CO 0.03 0.36 0.00 -0.24 0.00 0.00 0.00 175.10 175.25 1zzz n SER 54 N 1.13 0.00 -4.77 3.32 2.88 0.94 -1.24 113.62 115.87 1zzz n SER 54 Ca -0.10 -0.40 -0.31 0.00 -1.33 0.00 0.00 58.87 56.72 1zzz n SER 54 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 1zzz n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zzz s ALA 55 N -1.15 3.54 0.25 -1.46 0.00 -1.26 -2.18 121.76 119.50 1zzz s ALA 55 Ca 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1zzz s ALA 55 Cb 0.00 -1.45 0.27 0.00 0.00 0.00 0.00 23.12 21.94 1zzz s ALA 55 CO 0.00 0.73 1.92 0.00 0.00 0.00 0.00 175.76 178.41 1zzz h ALA 56 N 3.53 1.27 0.00 0.00 0.00 -1.70 -0.25 119.26 122.10 1zzz h ALA 56 Ca -0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1zzz h ALA 56 Cb 1.17 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1zzz h ALA 56 CO 0.64 0.66 0.00 1.12 0.00 0.00 0.00 179.25 181.67 1zzz h HIS 57 N 1.32 0.00 0.00 0.00 2.07 -1.91 -1.01 115.15 115.61 1zzz h HIS 57 Ca 0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.87 1zzz h HIS 57 Cb -0.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.87 1zzz h HIS 57 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1zzz n TYR 59 N -1.27 1.99 -3.97 0.00 4.19 -0.39 -4.97 117.16 112.74 1zzz n TYR 59 Ca 0.12 0.16 -0.09 0.00 3.31 0.00 0.00 57.90 61.40 1zzz n TYR 59 Cb 0.19 -2.59 -0.05 0.00 0.49 0.00 0.00 39.34 37.37 1zzz n TYR 59 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 1zzz s LYS 60 N 5.03 1.48 0.38 2.98 -2.85 -1.26 -5.15 119.74 120.35 1zzz s LYS 60 Ca 1.01 -1.21 -0.10 0.00 -1.00 0.00 0.00 55.97 54.67 1zzz s LYS 60 Cb -0.77 0.46 -0.06 0.00 -2.06 0.00 0.00 37.83 35.40 1zzz s LYS 60 CO 0.51 -0.61 0.73 -1.54 0.10 0.00 0.00 175.35 174.55 1zzz s SER 61 N -3.00 6.51 0.00 0.03 1.04 -1.26 -4.39 113.70 112.63 1zzz s SER 61 Ca 0.21 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1zzz s SER 61 Cb -0.00 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1zzz s SER 61 CO 0.07 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1zzz n GLY 62 N -1.22 0.77 3.71 7.32 0.00 -1.26 -5.02 105.19 109.49 1zzz n GLY 62 Ca 0.02 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 1zzz n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zzz s ILE 63 N -2.00 5.06 -0.21 -0.61 1.01 -1.26 -4.57 121.20 118.63 1zzz s ILE 63 Ca 0.00 1.33 -0.03 0.00 0.00 0.00 0.00 60.65 61.95 1zzz s ILE 63 Cb 0.00 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1zzz s ILE 63 CO 0.00 0.24 -0.07 -1.58 0.00 0.00 0.00 174.94 173.53 1zzz s GLN 64 N 0.93 3.34 -0.18 2.79 0.74 -0.59 -1.40 119.66 125.29 1zzz s GLN 64 Ca 0.34 -0.65 -0.23 0.00 0.05 0.00 0.00 55.36 54.88 1zzz s GLN 64 Cb -0.17 -2.92 -0.02 0.00 1.10 0.00 0.00 33.01 31.00 1zzz s GLN 64 CO 0.16 -0.15 0.71 0.08 -0.55 0.00 0.00 175.29 175.54 1zzz s VAL 65 N 1.32 4.97 -0.29 1.34 1.01 -0.05 -0.07 120.40 128.63 1zzz s VAL 65 Ca 0.04 1.38 -0.06 0.00 0.00 0.00 0.00 61.98 63.33 1zzz s VAL 65 Cb -0.14 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1zzz s VAL 65 CO -0.03 0.09 0.07 -0.13 0.00 0.00 0.00 175.10 175.10 1zzz s ARG 66 N 1.92 3.07 0.08 2.72 0.52 0.47 -1.32 118.95 126.41 1zzz s ARG 66 Ca 0.33 -0.87 0.04 0.00 -0.52 0.00 0.00 55.73 54.71 1zzz s ARG 66 Cb -0.16 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 1zzz s ARG 66 CO 0.12 -0.44 0.03 -0.51 0.02 0.00 0.00 175.30 174.52 1zzz s LEU 67 N 1.49 3.62 -0.78 2.53 1.43 0.17 -1.95 118.68 125.19 1zzz s LEU 67 Ca 0.02 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1zzz s LEU 67 Cb -0.17 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.74 1zzz s LEU 67 CO 0.02 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1zzz n GLY 69 N 0.57 0.16 3.81 -3.19 0.00 -1.26 -1.94 105.19 103.34 1zzz n GLY 69 Ca -0.10 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 1zzz n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zzz s GLU 70 N -4.20 4.09 0.00 1.61 0.41 -1.26 -4.07 118.70 115.28 1zzz s GLU 70 Ca 0.00 0.55 0.00 0.00 -0.41 0.00 0.00 54.97 55.11 1zzz s GLU 70 Cb 0.00 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 29.09 1zzz s GLU 70 CO 0.00 0.59 0.00 -3.47 -0.49 0.00 0.00 175.26 171.89 1zzz n ASP 71 N 2.04 0.00 -4.64 -0.19 2.03 -1.26 -4.58 116.55 109.95 1zzz n ASP 71 Ca -0.11 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.77 1zzz n ASP 71 Cb 0.52 -0.03 -0.02 0.00 -0.72 0.00 0.00 41.12 40.87 1zzz n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1zzz s ASN 72 N -1.26 6.93 0.00 1.67 3.84 -1.25 -3.44 114.94 121.42 1zzz s ASN 72 Ca 0.00 1.13 0.22 0.00 0.21 0.00 0.00 52.86 54.42 1zzz s ASN 72 Cb 0.00 -2.54 0.97 0.00 -0.55 0.00 0.00 41.25 39.13 1zzz s ASN 72 CO 0.00 -0.87 1.67 2.30 -2.79 0.00 0.00 177.10 177.41 1zzz n ILE 73 N 5.82 0.11 0.19 -5.21 -5.35 0.55 -3.47 119.36 111.99 1zzz n ILE 73 Ca 0.12 -0.23 0.07 0.00 -0.27 0.00 0.00 62.75 62.45 1zzz n ILE 73 Cb 0.47 0.18 -0.11 0.00 -1.74 0.00 0.00 39.64 38.44 1zzz n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1zzz n ASN 74 N -0.06 1.29 -4.33 7.28 3.02 -1.26 -4.95 115.26 116.26 1zzz n ASN 74 Ca 0.17 -0.23 -0.32 0.00 -0.03 0.00 0.00 54.58 54.17 1zzz n ASN 74 Cb 0.26 1.50 -0.16 0.00 -0.61 0.00 0.00 39.78 40.78 1zzz n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1zzz s VAL 75 N -2.87 2.33 -0.14 2.41 1.01 -1.23 -5.09 120.40 116.82 1zzz s VAL 75 Ca -0.03 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.69 1zzz s VAL 75 Cb 0.10 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1zzz s VAL 75 CO 0.63 0.57 1.28 -0.69 0.00 0.00 0.00 175.10 176.89 1zzz s VAL 76 N -0.33 4.23 -0.03 2.92 1.01 -1.26 -4.74 120.40 122.20 1zzz s VAL 76 Ca 0.02 1.50 0.06 0.00 0.00 0.00 0.00 61.98 63.56 1zzz s VAL 76 Cb -0.12 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 1zzz s VAL 76 CO 0.02 -0.11 0.08 -0.62 0.00 0.00 0.00 175.10 174.47 1zzz n GLU 77 N 6.44 1.60 0.00 2.72 1.02 -1.26 -5.10 120.64 126.06 1zzz n GLU 77 Ca 0.14 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1zzz n GLU 77 Cb 0.45 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 1zzz n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1zzz n GLY 78 N 2.38 3.52 0.94 0.62 0.00 -1.26 -5.00 105.19 106.39 1zzz n GLY 78 Ca -0.05 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1zzz n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1zzz n ASN 79 N 0.00 0.00 -4.83 1.61 3.02 -1.26 -4.96 115.26 108.83 1zzz n ASN 79 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 1zzz n ASN 79 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1zzz n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1zzz s GLU 80 N -0.69 3.72 -0.09 3.52 8.01 -1.26 -4.38 118.70 127.53 1zzz s GLU 80 Ca 0.00 1.00 -0.01 0.00 0.01 0.00 0.00 54.97 55.97 1zzz s GLU 80 Cb 0.00 -2.10 0.03 0.00 -4.31 0.00 0.00 34.13 27.75 1zzz s GLU 80 CO 0.00 -0.47 -0.03 -0.65 0.01 0.00 0.00 175.26 174.12 1zzz s GLN 81 N -4.23 1.02 -0.34 1.61 -0.21 -0.82 -4.98 119.66 111.73 1zzz s GLN 81 Ca 0.60 -0.07 -0.11 0.00 0.02 0.00 0.00 55.36 55.80 1zzz s GLN 81 Cb -0.12 -1.28 -0.00 0.00 1.00 0.00 0.00 33.01 32.61 1zzz s GLN 81 CO 0.36 -0.30 0.20 -0.06 -2.12 0.00 0.00 175.29 173.37 1zzz s PHE 82 N 1.85 3.21 -0.08 0.91 0.08 -1.26 -0.65 117.98 122.03 1zzz s PHE 82 Ca 0.05 -0.52 -0.00 0.00 0.12 0.00 0.00 56.93 56.58 1zzz s PHE 82 Cb -0.12 -2.42 0.02 0.00 -0.57 0.00 0.00 43.02 39.93 1zzz s PHE 82 CO -0.07 -0.46 -0.06 0.42 -0.10 0.00 0.00 175.22 174.95 1zzz s ILE 83 N 1.64 0.81 0.53 0.64 1.01 -0.43 -4.98 121.20 120.41 1zzz s ILE 83 Ca 0.05 -0.19 -0.22 0.00 0.00 0.00 0.00 60.65 60.28 1zzz s ILE 83 Cb -0.18 -0.84 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 1zzz s ILE 83 CO 0.08 0.32 1.38 -0.44 0.00 0.00 0.00 174.94 176.27 1zzz s SER 84 N 1.49 5.35 0.37 3.58 0.01 -1.26 -0.87 113.70 122.36 1zzz s SER 84 Ca -0.00 2.81 -0.25 0.00 1.31 0.00 0.00 55.95 59.81 1zzz s SER 84 Cb -0.13 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.36 1zzz s SER 84 CO -0.04 -1.52 1.01 0.00 0.41 0.00 0.00 173.24 173.09 1zzz s ALA 85 N -1.28 3.15 -0.21 1.44 0.00 -0.50 -0.30 121.76 124.07 1zzz s ALA 85 Ca 0.70 0.63 -0.14 0.00 0.00 0.00 0.00 51.96 53.15 1zzz s ALA 85 Cb -0.41 -3.24 -0.19 0.00 0.00 0.00 0.00 23.12 19.28 1zzz s ALA 85 CO 0.50 -0.05 0.08 0.45 0.00 0.00 0.00 175.76 176.73 1zzz n SER 86 N 0.21 1.96 -3.87 0.00 2.88 0.59 -4.64 113.62 110.75 1zzz n SER 86 Ca 0.04 0.29 -0.10 0.00 -1.33 0.00 0.00 58.87 57.77 1zzz n SER 86 Cb 0.50 -0.85 -0.09 0.00 -0.75 0.00 0.00 64.21 63.02 1zzz n SER 86 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1zzz s LYS 87 N -2.46 0.66 -0.13 -1.46 -2.85 -1.09 -4.98 119.74 107.43 1zzz s LYS 87 Ca -0.30 -0.66 0.01 0.00 -1.00 0.00 0.00 55.97 54.02 1zzz s LYS 87 Cb 0.08 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 36.12 1zzz s LYS 87 CO 0.61 -0.18 -0.17 -1.12 0.10 0.00 0.00 175.35 174.59 1zzz s SER 88 N -2.08 3.63 -0.37 0.03 0.01 -1.26 0.03 113.70 113.69 1zzz s SER 88 Ca -0.05 -0.44 -0.00 0.00 1.31 0.00 0.00 55.95 56.77 1zzz s SER 88 Cb -0.01 -1.54 0.10 0.00 0.21 0.00 0.00 66.02 64.78 1zzz s SER 88 CO -0.04 0.14 0.12 -0.63 0.41 0.00 0.00 173.24 173.24 1zzz s ILE 89 N 0.48 2.86 0.26 1.44 1.01 0.15 -4.96 121.20 122.45 1zzz s ILE 89 Ca -0.12 -2.06 -0.29 0.00 0.00 0.00 0.00 60.65 58.18 1zzz s ILE 89 Cb -0.16 -2.96 -0.09 0.00 0.01 0.00 0.00 42.46 39.25 1zzz s ILE 89 CO 0.05 -0.57 1.13 -0.69 0.00 0.00 0.00 174.94 174.87 1zzz s VAL 90 N 1.07 3.46 0.13 2.92 1.01 -1.26 -1.79 120.40 125.94 1zzz s VAL 90 Ca 0.07 1.41 -0.34 0.00 0.00 0.00 0.00 61.98 63.12 1zzz s VAL 90 Cb -0.21 -3.90 -0.13 0.00 0.00 0.00 0.00 36.38 32.14 1zzz s VAL 90 CO -0.05 0.31 1.63 1.57 0.00 0.00 0.00 175.10 178.57 1zzz n HIS 91 N 1.46 2.33 0.12 5.22 -0.00 -0.55 -4.83 115.22 118.97 1zzz n HIS 91 Ca 0.00 0.20 0.19 0.00 0.46 0.00 0.00 57.72 58.57 1zzz n HIS 91 Cb 0.45 -2.57 0.77 0.00 -0.12 0.00 0.00 29.99 28.51 1zzz n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1zzz h PRO 92 N 6.49 0.00 -0.38 1.57 0.11 -1.92 -2.13 132.00 135.73 1zzz h PRO 92 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1zzz h PRO 92 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1zzz h PRO 92 CO 0.90 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.12 1zzz n SER 93 N -3.85 3.08 -4.66 -2.05 7.64 -1.26 -4.98 113.62 107.54 1zzz n SER 93 Ca 0.06 -1.94 -0.45 0.00 1.01 0.00 0.00 58.87 57.54 1zzz n SER 93 Cb 0.51 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 1zzz n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zzz n TYR 94 N 1.23 2.01 -4.00 1.43 9.36 -0.81 -4.64 117.16 121.74 1zzz n TYR 94 Ca 0.19 0.49 -0.31 0.00 3.32 0.00 0.00 57.90 61.58 1zzz n TYR 94 Cb 0.54 -2.42 -0.15 0.00 -0.63 0.00 0.00 39.34 36.67 1zzz n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1zzz s ASN 95 N 0.18 4.26 0.00 2.98 3.84 -0.78 -4.98 114.94 120.45 1zzz s ASN 95 Ca 0.68 -1.44 0.14 0.00 0.21 0.00 0.00 52.86 52.45 1zzz s ASN 95 Cb -0.68 -1.40 0.83 0.00 -0.55 0.00 0.00 41.25 39.45 1zzz s ASN 95 CO 0.51 -0.24 1.31 -1.54 -2.79 0.00 0.00 177.10 174.35 1zzz n SER 96 N 4.51 0.00 -0.08 -4.21 3.41 -1.26 0.18 113.62 116.17 1zzz n SER 96 Ca -0.10 -0.32 -0.22 0.00 -0.26 0.00 0.00 58.87 57.97 1zzz n SER 96 Cb 0.43 -0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 64.18 1zzz n SER 96 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1zzz n ASN 97 N -1.07 1.93 0.15 4.04 5.03 -1.26 -4.28 115.26 119.80 1zzz n ASN 97 Ca 0.10 0.36 0.12 0.00 0.87 0.00 0.00 54.58 56.02 1zzz n ASN 97 Cb 0.07 -0.93 0.08 0.00 -1.02 0.00 0.00 39.78 37.97 1zzz n ASN 97 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1zzz h THR 98 N -0.72 0.00 -0.68 3.41 1.35 -1.98 -3.48 112.91 110.81 1zzz h THR 98 Ca -0.39 -0.98 -0.29 0.00 -0.55 0.00 0.00 66.41 64.20 1zzz h THR 98 Cb 1.51 1.68 -0.12 0.00 -1.73 0.00 0.00 68.15 69.50 1zzz h THR 98 CO -0.15 0.00 -0.27 0.18 -0.25 0.00 0.00 175.52 175.04 1zzz n LEU 99 N -2.82 -0.92 -4.76 3.87 4.77 0.48 -4.99 117.00 112.62 1zzz n LEU 99 Ca 0.02 0.36 -0.41 0.00 -0.03 0.00 0.00 56.01 55.95 1zzz n LEU 99 Cb 0.54 -2.37 -0.03 0.00 -2.33 0.00 0.00 43.42 39.23 1zzz n LEU 99 CO 0.37 -0.87 0.92 0.21 -1.33 0.00 0.00 177.39 176.69 1zzz s ASN 100 N -2.70 6.96 -1.13 -1.43 3.04 -1.22 -3.26 114.94 115.20 1zzz s ASN 100 Ca 0.00 2.50 -0.00 0.00 0.04 0.00 0.00 52.86 55.39 1zzz s ASN 100 Cb 0.00 -2.63 0.00 0.00 -1.54 0.00 0.00 41.25 37.08 1zzz s ASN 100 CO 0.00 -0.40 0.94 0.59 -3.04 0.00 0.00 177.10 175.19 1zzz n ASN 101 N 1.24 -2.19 -4.47 -4.21 5.03 -1.26 -1.87 115.26 107.53 1zzz n ASN 101 Ca 0.01 -0.58 -0.44 0.00 0.87 0.00 0.00 54.58 54.44 1zzz n ASN 101 Cb 0.43 -4.84 -0.01 0.00 -1.02 0.00 0.00 39.78 34.35 1zzz n ASN 101 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1zzz s ASP 102 N -4.24 6.95 -0.03 6.41 2.15 -1.20 -4.16 116.67 122.56 1zzz s ASP 102 Ca 0.02 -2.73 -0.21 0.00 0.43 0.00 0.00 52.55 50.06 1zzz s ASP 102 Cb -0.01 -2.41 0.04 0.00 -0.30 0.00 0.00 42.92 40.24 1zzz s ASP 102 CO 0.68 -0.85 0.44 -0.51 -0.17 0.00 0.00 175.17 174.77 1zzz s ILE 103 N 2.00 0.04 -0.07 4.11 2.07 -1.26 -4.01 121.20 124.08 1zzz s ILE 103 Ca 0.41 -0.31 -0.21 0.00 -1.41 0.00 0.00 60.65 59.13 1zzz s ILE 103 Cb -0.03 -0.75 0.05 0.00 0.13 0.00 0.00 42.46 41.86 1zzz s ILE 103 CO -0.02 -0.17 0.49 -0.32 -1.91 0.00 0.00 174.94 173.01 1zzz s MET 104 N -1.28 0.79 0.01 3.50 -2.45 -0.93 -1.48 119.30 117.46 1zzz s MET 104 Ca -0.13 0.18 0.07 0.00 -1.25 0.00 0.00 55.69 54.57 1zzz s MET 104 Cb -0.03 0.37 -0.03 0.00 1.25 0.00 0.00 34.83 36.39 1zzz s MET 104 CO 0.06 -0.21 -0.21 -0.51 1.05 0.00 0.00 175.02 175.21 1zzz s LEU 105 N -0.89 2.42 -0.07 4.11 1.02 -0.74 -0.04 118.68 124.47 1zzz s LEU 105 Ca -0.09 -0.43 0.01 0.00 0.02 0.00 0.00 54.13 53.64 1zzz s LEU 105 Cb -0.03 -1.44 0.02 0.00 0.02 0.00 0.00 46.19 44.76 1zzz s LEU 105 CO 0.05 0.29 -0.10 -0.63 0.02 0.00 0.00 176.35 175.98 1zzz s ILE 106 N -0.80 1.02 -0.08 -0.59 1.01 0.39 0.34 121.20 122.48 1zzz s ILE 106 Ca 0.12 -0.38 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 1zzz s ILE 106 Cb -0.10 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.35 1zzz s ILE 106 CO 0.02 0.34 0.36 -0.75 0.00 0.00 0.00 174.94 174.91 1zzz s LYS 107 N 0.97 4.05 0.35 2.79 2.20 0.10 -0.61 119.74 129.59 1zzz s LYS 107 Ca -0.09 0.26 -0.25 0.00 -0.36 0.00 0.00 55.97 55.53 1zzz s LYS 107 Cb -0.15 -3.32 -0.10 0.00 -1.51 0.00 0.00 37.83 32.75 1zzz s LYS 107 CO 0.00 0.46 0.97 -0.51 -0.36 0.00 0.00 175.35 175.91 1zzz s LEU 108 N -0.28 4.27 0.33 5.43 1.43 0.34 0.22 118.68 130.42 1zzz s LEU 108 Ca 0.21 1.87 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 1zzz s LEU 108 Cb -0.15 -4.09 0.65 0.00 0.03 0.00 0.00 46.19 42.64 1zzz s LEU 108 CO 0.09 -0.18 1.92 0.50 0.23 0.00 0.00 176.35 178.91 1zzz h LYS 109 N 2.94 0.85 -4.00 1.70 1.63 -0.92 -3.40 116.57 115.37 1zzz h LYS 109 Ca -0.47 -0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 59.16 1zzz h LYS 109 Cb 1.20 -0.19 -0.16 0.00 -0.60 0.00 0.00 32.23 32.48 1zzz h LYS 109 CO 0.64 0.56 -0.56 -1.54 -3.45 0.00 0.00 179.45 175.10 1zzz s SER 110 N -6.06 0.30 0.09 4.20 1.04 -1.26 -4.98 113.70 107.03 1zzz s SER 110 Ca -0.11 -0.76 -0.31 0.00 0.48 0.00 0.00 55.95 55.25 1zzz s SER 110 Cb 0.20 0.24 -0.07 0.00 0.10 0.00 0.00 66.02 66.49 1zzz s SER 110 CO 0.79 -0.60 1.38 0.00 0.98 0.00 0.00 173.24 175.79 1zzz s ALA 111 N -3.45 3.57 0.91 5.32 0.00 -1.26 -4.86 121.76 121.99 1zzz s ALA 111 Ca 0.02 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 1zzz s ALA 111 Cb 0.04 -3.54 0.14 0.00 0.00 0.00 0.00 23.12 19.76 1zzz s ALA 111 CO -0.08 -0.66 1.11 0.00 0.00 0.00 0.00 175.76 176.13 1zzz s ALA 112 N 1.36 1.43 -0.39 0.00 0.00 0.16 -5.01 121.76 119.31 1zzz s ALA 112 Ca 0.64 0.32 -0.20 0.00 0.00 0.00 0.00 51.96 52.72 1zzz s ALA 112 Cb -0.35 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1zzz s ALA 112 CO 0.29 -2.59 0.62 -1.12 0.00 0.00 0.00 175.76 172.96 1zzz s SER 113 N -2.95 6.37 -0.08 0.00 0.01 -1.26 -4.89 113.70 110.89 1zzz s SER 113 Ca 0.65 -0.08 -0.20 0.00 1.31 0.00 0.00 55.95 57.63 1zzz s SER 113 Cb -0.21 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1zzz s SER 113 CO 0.58 -0.65 0.58 -0.76 0.41 0.00 0.00 173.24 173.40 1zzz s LEU 114 N 2.70 4.31 0.00 2.44 1.02 -1.26 -4.74 118.68 123.15 1zzz s LEU 114 Ca 0.23 1.00 0.00 0.00 0.02 0.00 0.00 54.13 55.38 1zzz s LEU 114 Cb -0.14 -2.87 0.00 0.00 0.02 0.00 0.00 46.19 43.20 1zzz s LEU 114 CO 0.16 -0.03 0.00 -0.46 0.02 0.00 0.00 176.35 176.04 1zzz n ASN 115 N 3.59 0.00 0.14 2.29 0.23 0.23 -4.99 115.26 116.75 1zzz n ASN 115 Ca -0.05 -0.35 -0.01 0.00 -0.53 0.00 0.00 54.58 53.64 1zzz n ASN 115 Cb 0.51 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.38 1zzz n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1zzz h SER 116 N 0.00 0.00 0.85 0.53 4.64 -1.99 -3.25 113.55 114.33 1zzz h SER 116 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1zzz h SER 116 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1zzz h SER 116 CO 0.00 0.62 -1.20 0.03 -0.87 0.00 0.00 176.83 175.41 1zzz h ARG 117 N 0.00 0.01 -3.71 4.77 -0.00 -1.92 -3.45 114.38 110.08 1zzz h ARG 117 Ca -0.01 -0.01 -0.56 0.00 -0.50 0.00 0.00 59.98 58.91 1zzz h ARG 117 Cb 1.12 0.00 -0.40 0.00 0.00 0.00 0.00 29.97 30.70 1zzz h ARG 117 CO 0.08 0.87 -0.77 0.08 0.00 0.00 0.00 179.97 180.23 1zzz s VAL 118 N -2.68 0.83 0.09 2.04 1.01 -1.23 -4.32 120.40 116.15 1zzz s VAL 118 Ca -0.01 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 1zzz s VAL 118 Cb 0.09 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1zzz s VAL 118 CO 0.82 -0.34 0.11 0.00 0.00 0.00 0.00 175.10 175.69 1zzz s ALA 119 N 1.69 0.21 0.11 5.51 0.00 -1.01 -0.60 121.76 127.68 1zzz s ALA 119 Ca 0.01 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1zzz s ALA 119 Cb -0.17 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1zzz s ALA 119 CO -0.13 -0.48 0.09 -1.54 0.00 0.00 0.00 175.76 173.71 1zzz s SER 120 N -2.92 5.51 -0.12 0.00 1.04 -1.26 -2.97 113.70 112.98 1zzz s SER 120 Ca 0.10 -0.05 -0.05 0.00 0.48 0.00 0.00 55.95 56.43 1zzz s SER 120 Cb 0.06 -1.46 -0.04 0.00 0.10 0.00 0.00 66.02 64.68 1zzz s SER 120 CO -0.07 0.14 0.08 -0.51 0.98 0.00 0.00 173.24 173.85 1zzz s ILE 121 N -1.50 4.96 0.65 -1.02 1.10 0.38 -4.88 121.20 120.90 1zzz s ILE 121 Ca 0.30 0.01 -0.14 0.00 -0.51 0.00 0.00 60.65 60.30 1zzz s ILE 121 Cb -0.12 -3.15 -0.01 0.00 0.15 0.00 0.00 42.46 39.34 1zzz s ILE 121 CO 0.22 0.59 1.08 -0.44 -2.11 0.00 0.00 174.94 174.29 1zzz s SER 122 N -0.75 5.33 0.23 4.50 0.01 -1.26 -4.55 113.70 117.21 1zzz s SER 122 Ca 0.13 1.88 -0.15 0.00 1.31 0.00 0.00 55.95 59.12 1zzz s SER 122 Cb -0.12 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.50 1zzz s SER 122 CO 0.03 -1.48 0.64 -0.76 0.41 0.00 0.00 173.24 172.07 1zzz s LEU 123 N -4.89 4.23 0.74 2.44 1.43 -1.26 -0.62 118.68 120.76 1zzz s LEU 123 Ca 0.64 1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 54.81 1zzz s LEU 123 Cb -0.18 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.44 1zzz s LEU 123 CO 0.42 -0.03 1.08 -2.16 0.23 0.00 0.00 176.35 175.89 1zzz s PRO 124 N -2.41 2.51 -0.01 1.29 0.04 -1.26 -4.78 135.00 130.38 1zzz s PRO 124 Ca 0.45 1.00 0.13 0.00 0.04 0.00 0.00 61.00 62.63 1zzz s PRO 124 Cb -0.13 -1.94 -0.17 0.00 0.04 0.00 0.00 34.50 32.30 1zzz s PRO 124 CO 0.20 -1.41 0.45 0.25 0.04 0.00 0.00 177.00 176.52 1zzz n THR 125 N -3.35 0.00 -3.72 1.26 -2.24 -1.26 -4.95 114.28 100.03 1zzz n THR 125 Ca 0.08 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 1zzz n THR 125 Cb 0.54 0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 69.34 1zzz n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1zzz s SER 127 N -2.83 -0.20 0.61 3.42 1.04 -1.26 -5.14 113.70 109.34 1zzz s SER 127 Ca 0.01 -0.09 -0.17 0.00 0.48 0.00 0.00 55.95 56.18 1zzz s SER 127 Cb 0.09 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.57 1zzz s SER 127 CO 0.55 -0.62 1.15 0.00 0.98 0.00 0.00 173.24 175.30 1zzz s ALA 129 N -1.95 3.10 0.55 0.00 0.00 -1.26 -5.09 121.76 117.12 1zzz s ALA 129 Ca 0.72 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1zzz s ALA 129 Cb -0.25 -3.07 0.05 0.00 0.00 0.00 0.00 23.12 19.86 1zzz s ALA 129 CO 0.35 -0.44 0.76 -1.54 0.00 0.00 0.00 175.76 174.89 1zzz s SER 130 N -3.63 5.18 0.41 0.00 1.04 -1.26 -4.99 113.70 110.45 1zzz s SER 130 Ca 0.56 -0.34 -0.26 0.00 0.48 0.00 0.00 55.95 56.39 1zzz s SER 130 Cb -0.10 -0.44 -0.09 0.00 0.10 0.00 0.00 66.02 65.48 1zzz s SER 130 CO 0.42 -1.21 1.42 0.00 0.98 0.00 0.00 173.24 174.86 1zzz s ALA 132 N -2.70 3.36 0.00 5.32 0.00 -1.26 -2.30 121.76 124.18 1zzz s ALA 132 Ca 0.59 1.45 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1zzz s ALA 132 Cb -0.08 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1zzz s ALA 132 CO 0.38 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1zzz n GLY 133 N 0.57 2.45 3.75 0.00 0.00 0.26 -4.96 105.19 107.27 1zzz n GLY 133 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1zzz n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zzz s THR 134 N -2.40 2.67 0.05 2.61 2.01 -0.97 -4.69 115.64 114.91 1zzz s THR 134 Ca 0.00 0.59 -0.19 0.00 0.31 0.00 0.00 61.69 62.41 1zzz s THR 134 Cb 0.00 -3.38 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 1zzz s THR 134 CO 0.00 0.11 0.55 -1.58 -0.69 0.00 0.00 174.62 173.01 1zzz s GLN 135 N -0.88 4.17 0.14 4.92 2.00 -1.26 -1.31 119.66 127.44 1zzz s GLN 135 Ca 0.56 0.69 0.00 0.00 -2.00 0.00 0.00 55.36 54.61 1zzz s GLN 135 Cb -0.41 -3.25 -0.04 0.00 0.80 0.00 0.00 33.01 30.11 1zzz s GLN 135 CO 0.47 0.62 0.03 0.00 -0.50 0.00 0.00 175.29 175.91 1zzz s LEU 137 N -3.09 2.54 0.07 0.00 2.96 0.24 -1.66 118.68 119.73 1zzz s LEU 137 Ca 0.23 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 1zzz s LEU 137 Cb 0.07 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1zzz s LEU 137 CO 0.02 0.05 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.43 1zzz s ILE 138 N 1.02 3.80 0.01 6.68 1.01 -0.15 -0.96 121.20 132.61 1zzz s ILE 138 Ca -0.01 -0.98 -0.23 0.00 0.00 0.00 0.00 60.65 59.43 1zzz s ILE 138 Cb -0.15 -2.76 0.05 0.00 0.01 0.00 0.00 42.46 39.61 1zzz s ILE 138 CO -0.03 0.19 0.52 -0.94 0.00 0.00 0.00 174.94 174.68 1zzz s SER 139 N -2.04 -0.44 0.00 3.58 1.04 -1.24 -0.14 113.70 114.46 1zzz s SER 139 Ca 0.22 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1zzz s SER 139 Cb -0.11 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1zzz s SER 139 CO 0.14 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1zzz n GLY 140 N 0.73 -0.76 1.00 7.32 0.00 -0.88 -4.46 105.19 108.13 1zzz n GLY 140 Ca -0.19 -1.01 -0.01 0.00 0.00 0.00 0.00 46.02 44.81 1zzz n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1zzz n TRP 141 N -0.10 0.83 -1.95 1.61 8.01 -1.26 -2.03 117.44 122.54 1zzz n TRP 141 Ca 0.00 -1.52 -0.30 0.00 -1.31 0.00 0.00 57.50 54.37 1zzz n TRP 141 Cb 0.00 -0.42 0.21 0.00 -2.01 0.00 0.00 31.31 29.09 1zzz n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1zzz s GLY 142 N -2.65 1.83 0.30 6.99 0.00 -1.26 -4.33 107.32 108.20 1zzz s GLY 142 Ca 0.43 -1.35 -0.29 0.00 0.00 0.00 0.00 44.72 43.51 1zzz s GLY 142 CO -0.01 -0.51 1.31 -2.01 0.00 0.00 0.00 173.10 171.87 1zzz n ASN 143 N -3.86 2.62 -1.14 1.64 5.15 0.24 -2.88 115.26 117.03 1zzz n ASN 143 Ca 0.17 1.18 0.12 0.00 -0.60 0.00 0.00 54.58 55.45 1zzz n ASN 143 Cb 0.59 -1.44 0.21 0.00 -0.53 0.00 0.00 39.78 38.60 1zzz n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1zzz n THR 144 N 0.90 0.49 -4.82 -0.44 -2.24 0.46 -1.28 114.28 107.36 1zzz n THR 144 Ca 0.08 -0.75 -0.33 0.00 -2.27 0.00 0.00 64.05 60.78 1zzz n THR 144 Cb 0.34 1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 69.44 1zzz n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1zzz s LYS 145 N -1.48 2.65 0.18 -0.78 -0.14 -1.26 -4.51 119.74 114.40 1zzz s LYS 145 Ca 0.38 -0.66 0.01 0.00 -1.36 0.00 0.00 55.97 54.34 1zzz s LYS 145 Cb 0.22 -2.45 0.06 0.00 -1.68 0.00 0.00 37.83 33.98 1zzz s LYS 145 CO 0.31 0.59 1.43 0.77 -0.76 0.00 0.00 175.35 177.69 1zzz h SER 146 N 5.47 0.35 -3.26 2.83 0.02 -1.93 -3.41 113.55 113.63 1zzz h SER 146 Ca -0.45 -0.25 -0.46 0.00 -0.84 0.00 0.00 61.79 59.79 1zzz h SER 146 Cb 1.16 -0.11 -0.37 0.00 0.14 0.00 0.00 62.40 63.22 1zzz h SER 146 CO 0.51 1.00 -0.78 -0.55 -1.14 0.00 0.00 176.83 175.88 1zzz s SER 147 N -6.95 1.67 0.00 3.07 0.15 -1.26 -4.59 113.70 105.79 1zzz s SER 147 Ca -0.04 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1zzz s SER 147 Cb 0.10 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 1zzz s SER 147 CO 0.83 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.73 1zzz n GLY 148 N 4.94 -3.24 2.76 9.45 0.00 -1.26 -4.99 105.19 112.85 1zzz n GLY 148 Ca -0.11 -1.97 -0.19 0.00 0.00 0.00 0.00 46.02 43.75 1zzz n GLY 148 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1zzz s THR 149 N -0.67 0.10 -0.19 2.61 -1.32 -1.26 -4.61 115.64 110.28 1zzz s THR 149 Ca 0.00 0.21 -0.04 0.00 -1.21 0.00 0.00 61.69 60.65 1zzz s THR 149 Cb 0.00 -0.26 0.08 0.00 -1.51 0.00 0.00 72.50 70.81 1zzz s THR 149 CO 0.00 0.17 0.15 -0.55 -2.21 0.00 0.00 174.62 172.18 1zzz s SER 150 N 1.55 2.01 -0.08 8.08 0.15 -1.26 -4.98 113.70 119.17 1zzz s SER 150 Ca -0.03 -0.50 -0.17 0.00 0.70 0.00 0.00 55.95 55.95 1zzz s SER 150 Cb -0.13 0.02 -0.05 0.00 -1.71 0.00 0.00 66.02 64.15 1zzz s SER 150 CO -0.03 -0.35 0.46 -0.31 1.20 0.00 0.00 173.24 174.21 1zzz s TYR 151 N 2.22 3.58 0.51 3.44 2.02 -1.26 -0.40 117.35 127.46 1zzz s TYR 151 Ca 0.04 0.93 -0.05 0.00 -0.37 0.00 0.00 57.07 57.62 1zzz s TYR 151 Cb -0.16 -2.48 -0.02 0.00 -0.40 0.00 0.00 41.96 38.90 1zzz s TYR 151 CO -0.12 0.31 0.81 -1.25 -1.57 0.00 0.00 175.55 173.73 1zzz s PRO 152 N 0.10 3.30 -0.02 -1.71 0.04 -1.26 -5.01 135.00 130.44 1zzz s PRO 152 Ca 0.25 0.07 -0.10 0.00 0.04 0.00 0.00 61.00 61.26 1zzz s PRO 152 Cb -0.16 -2.36 -0.31 0.00 0.04 0.00 0.00 34.50 31.71 1zzz s PRO 152 CO 0.11 -0.36 0.79 -0.44 0.04 0.00 0.00 177.00 177.14 1zzz h ASP 153 N 0.12 0.62 -2.24 6.66 3.32 -1.93 -3.47 116.42 119.50 1zzz h ASP 153 Ca -0.46 -0.84 -0.46 0.00 0.02 0.00 0.00 57.03 55.29 1zzz h ASP 153 Cb 1.23 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1zzz h ASP 153 CO 0.61 1.69 -0.40 0.68 -1.72 0.00 0.00 179.24 180.10 1zzz s VAL 154 N -2.59 5.19 0.33 -1.35 -7.23 -1.26 -0.33 120.40 113.16 1zzz s VAL 154 Ca -0.13 -0.93 -0.27 0.00 -1.81 0.00 0.00 61.98 58.84 1zzz s VAL 154 Cb 0.05 -3.84 -0.09 0.00 0.56 0.00 0.00 36.38 33.06 1zzz s VAL 154 CO 0.87 -0.35 1.10 -0.22 -0.31 0.00 0.00 175.10 176.20 1zzz s LEU 155 N -4.03 4.38 0.20 1.32 2.96 -1.22 -4.84 118.68 117.45 1zzz s LEU 155 Ca 0.35 2.24 0.10 0.00 -0.22 0.00 0.00 54.13 56.60 1zzz s LEU 155 Cb -0.09 -3.84 -0.04 0.00 0.50 0.00 0.00 46.19 42.72 1zzz s LEU 155 CO 0.30 -0.33 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.30 1zzz s LYS 156 N -1.87 1.82 0.12 1.98 -0.14 -0.86 -1.41 119.74 119.38 1zzz s LYS 156 Ca 0.50 -1.42 0.07 0.00 -1.36 0.00 0.00 55.97 53.76 1zzz s LYS 156 Cb -0.29 -2.00 -0.04 0.00 -1.68 0.00 0.00 37.83 33.82 1zzz s LYS 156 CO 0.38 0.41 -0.17 0.00 -0.76 0.00 0.00 175.35 175.21 1zzz s LEU 158 N -2.32 0.64 -0.18 0.00 2.96 0.81 -1.10 118.68 119.49 1zzz s LEU 158 Ca 0.09 0.53 -0.20 0.00 -0.22 0.00 0.00 54.13 54.33 1zzz s LEU 158 Cb -0.07 0.80 -0.03 0.00 0.50 0.00 0.00 46.19 47.39 1zzz s LEU 158 CO 0.04 -0.14 0.58 -0.54 -1.32 0.00 0.00 176.35 174.97 1zzz s LYS 159 N 0.84 4.24 -0.11 1.98 1.02 -1.26 -0.97 119.74 125.48 1zzz s LYS 159 Ca -0.06 0.55 -0.07 0.00 0.02 0.00 0.00 55.97 56.42 1zzz s LYS 159 Cb -0.07 -3.54 0.04 0.00 -0.52 0.00 0.00 37.83 33.74 1zzz s LYS 159 CO -0.05 -0.13 0.26 0.00 -0.92 0.00 0.00 175.35 174.50 1zzz s ALA 160 N 1.56 -0.62 0.59 5.17 0.00 -0.66 -4.96 121.76 122.84 1zzz s ALA 160 Ca 0.28 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 53.11 1zzz s ALA 160 Cb -0.16 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 1zzz s ALA 160 CO 0.11 -0.18 0.95 -1.25 0.00 0.00 0.00 175.76 175.39 1zzz s PRO 161 N 0.96 3.40 -0.07 0.00 0.04 -1.26 -1.65 135.00 136.42 1zzz s PRO 161 Ca -0.07 0.45 -0.25 0.00 0.04 0.00 0.00 61.00 61.17 1zzz s PRO 161 Cb -0.08 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1zzz s PRO 161 CO -0.06 -0.54 0.80 0.42 0.04 0.00 0.00 177.00 177.65 1zzz s ILE 162 N -3.05 4.97 0.76 0.56 1.01 -0.43 -1.34 121.20 123.68 1zzz s ILE 162 Ca 0.53 1.63 -0.08 0.00 0.00 0.00 0.00 60.65 62.73 1zzz s ILE 162 Cb -0.11 -4.13 0.10 0.00 0.01 0.00 0.00 42.46 38.33 1zzz s ILE 162 CO 0.50 0.19 1.09 -0.76 0.00 0.00 0.00 174.94 175.95 1zzz s LEU 163 N 1.11 2.79 0.54 2.97 1.43 0.25 0.92 118.68 128.69 1zzz s LEU 163 Ca 0.41 0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 53.69 1zzz s LEU 163 Cb -0.18 -2.82 -0.06 0.00 0.03 0.00 0.00 46.19 43.15 1zzz s LEU 163 CO 0.19 -1.88 1.01 -0.94 0.23 0.00 0.00 176.35 174.97 1zzz s SER 164 N -4.62 6.29 0.39 2.29 1.04 -1.26 -4.65 113.70 113.17 1zzz s SER 164 Ca 0.64 1.68 0.12 0.00 0.48 0.00 0.00 55.95 58.86 1zzz s SER 164 Cb -0.09 -2.52 0.77 0.00 0.10 0.00 0.00 66.02 64.29 1zzz s SER 164 CO 0.47 -0.82 1.87 0.44 0.98 0.00 0.00 173.24 176.18 1zzz h ASP 165 N 0.75 0.07 -0.15 7.02 3.32 -1.97 0.26 116.42 125.73 1zzz h ASP 165 Ca -0.47 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 1zzz h ASP 165 Cb 1.20 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1zzz h ASP 165 CO 0.60 0.35 0.05 0.77 -1.72 0.00 0.00 179.24 179.29 1zzz h SER 166 N 0.07 0.21 -0.59 6.45 4.64 -1.99 0.32 113.55 122.66 1zzz h SER 166 Ca 0.01 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1zzz h SER 166 Cb 0.53 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1zzz h SER 166 CO 0.04 0.36 0.31 0.28 -0.87 0.00 0.00 176.83 176.95 1zzz h SER 167 N 0.06 0.74 -0.25 4.97 0.02 -1.85 -0.05 113.55 117.18 1zzz h SER 167 Ca 0.05 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1zzz h SER 167 Cb 0.22 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1zzz h SER 167 CO -0.00 0.63 0.07 0.00 -1.14 0.00 0.00 176.83 176.39 1zzz h LYS 169 N 0.17 0.80 0.00 0.00 1.57 -0.74 -2.53 116.57 115.83 1zzz h LYS 169 Ca 0.11 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 1zzz h LYS 169 Cb 0.10 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1zzz h LYS 169 CO -0.14 0.94 -0.24 0.66 -0.57 0.00 0.00 179.45 180.11 1zzz h SER 170 N 0.70 0.00 -0.28 0.86 4.64 -0.96 -1.46 113.55 117.04 1zzz h SER 170 Ca 0.10 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 1zzz h SER 170 Cb 0.73 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1zzz h SER 170 CO 0.06 0.24 -0.19 0.00 -0.87 0.00 0.00 176.83 176.06 1zzz h ALA 171 N 1.76 0.94 -2.04 5.18 0.00 -1.14 -3.36 119.26 120.60 1zzz h ALA 171 Ca -0.00 -0.35 -0.55 0.00 0.00 0.00 0.00 54.91 54.01 1zzz h ALA 171 Cb 0.68 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 17.92 1zzz h ALA 171 CO 0.03 0.61 -1.04 0.66 0.00 0.00 0.00 179.25 179.52 1zzz n TYR 172 N -4.13 0.49 -1.84 0.00 4.01 -0.98 -4.95 117.16 109.77 1zzz n TYR 172 Ca 0.00 -3.71 -0.41 0.00 -0.16 0.00 0.00 57.90 53.62 1zzz n TYR 172 Cb 0.41 -0.40 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1zzz n TYR 172 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1zzz s PRO 173 N -1.71 4.14 0.00 -0.72 0.04 -0.56 -2.40 135.00 133.79 1zzz s PRO 173 Ca 0.37 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.95 1zzz s PRO 173 Cb 0.21 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1zzz s PRO 173 CO -0.09 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1zzz n GLY 174 N 0.52 0.84 0.00 0.56 0.00 -1.26 -4.83 105.19 101.02 1zzz n GLY 174 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1zzz n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1zzz n GLN 175 N -2.00 1.59 -3.34 1.61 6.02 -1.01 -4.96 117.38 115.30 1zzz n GLN 175 Ca 0.00 -0.06 -0.39 0.00 -0.01 0.00 0.00 57.00 56.54 1zzz n GLN 175 Cb 0.00 -1.21 -0.08 0.00 1.02 0.00 0.00 30.24 29.97 1zzz n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1zzz s ILE 176 N -2.56 5.15 0.55 5.09 -1.09 -1.25 -5.03 121.20 122.06 1zzz s ILE 176 Ca 0.00 0.73 0.09 0.00 -2.23 0.00 0.00 60.65 59.24 1zzz s ILE 176 Cb 0.09 -3.75 0.07 0.00 -1.58 0.00 0.00 42.46 37.29 1zzz s ILE 176 CO 0.54 0.17 0.71 0.42 -1.23 0.00 0.00 174.94 175.56 1zzz s THR 177 N 1.82 2.21 -1.93 2.92 -4.23 -1.26 -4.97 115.64 110.20 1zzz s THR 177 Ca 0.19 -1.06 0.23 0.00 -1.18 0.00 0.00 61.69 59.87 1zzz s THR 177 Cb -0.15 -2.27 0.63 0.00 1.34 0.00 0.00 72.50 72.05 1zzz s THR 177 CO 0.09 0.00 1.76 -1.54 -0.54 0.00 0.00 174.62 174.39 1zzz n SER 178 N -2.13 0.00 -1.25 3.99 3.41 -1.26 -2.69 113.62 113.69 1zzz n SER 178 Ca 0.13 -0.65 0.09 0.00 -0.26 0.00 0.00 58.87 58.18 1zzz n SER 178 Cb 0.62 -0.04 0.29 0.00 -0.26 0.00 0.00 64.21 64.82 1zzz n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1zzz n ASN 179 N -1.04 4.13 -4.12 4.04 3.02 -1.26 -4.94 115.26 115.09 1zzz n ASN 179 Ca 0.17 -2.36 -0.16 0.00 -0.03 0.00 0.00 54.58 52.20 1zzz n ASN 179 Cb 0.09 -0.48 -0.12 0.00 -0.61 0.00 0.00 39.78 38.66 1zzz n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1zzz s MET 180 N -1.67 0.68 0.13 3.52 -1.94 -1.10 -1.42 119.30 117.50 1zzz s MET 180 Ca 0.43 -0.86 -0.01 0.00 -1.71 0.00 0.00 55.69 53.55 1zzz s MET 180 Cb 0.27 -0.58 -0.04 0.00 2.01 0.00 0.00 34.83 36.49 1zzz s MET 180 CO 0.22 0.12 0.05 -0.59 -0.01 0.00 0.00 175.02 174.81 1zzz s PHE 181 N -1.30 0.85 0.04 -0.03 -0.12 0.11 -4.79 117.98 112.73 1zzz s PHE 181 Ca -0.06 -1.23 0.03 0.00 -0.05 0.00 0.00 56.93 55.63 1zzz s PHE 181 Cb -0.10 -0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 41.78 1zzz s PHE 181 CO 0.01 -0.51 -0.01 0.00 -0.05 0.00 0.00 175.22 174.65 1zzz s ALA 183 N -1.16 -0.72 0.00 0.00 0.00 -0.74 -0.59 121.76 118.55 1zzz s ALA 183 Ca 0.22 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1zzz s ALA 183 Cb -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1zzz s ALA 183 CO 0.13 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1zzz n GLY 184 N 2.02 0.35 2.82 0.00 0.00 -0.45 -2.82 105.19 107.11 1zzz n GLY 184 Ca -0.18 -1.49 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 1zzz n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1zzz s TYR 184 N -2.72 0.74 0.18 1.61 1.51 -1.26 -4.34 117.35 113.08 1zzz s TYR 184 Ca 0.00 -0.22 0.30 0.00 -1.01 0.00 0.00 57.07 56.14 1zzz s TYR 184 Cb 0.00 -0.78 1.26 0.00 -0.11 0.00 0.00 41.96 42.34 1zzz s TYR 184 CO 0.00 -0.29 1.96 -0.07 -1.11 0.00 0.00 175.55 176.03 1zzz h LEU 185 N 7.91 0.00 0.00 -1.29 3.38 -1.95 -2.21 115.31 121.14 1zzz h LEU 185 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1zzz h LEU 185 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1zzz h LEU 185 CO 0.35 0.10 0.00 -1.84 0.09 0.00 0.00 178.44 177.14 1zzz n GLU 186 N -3.27 0.65 -0.82 1.13 0.00 -1.26 0.99 120.64 118.06 1zzz n GLU 186 Ca -0.00 0.02 0.11 0.00 0.00 0.00 0.00 57.16 57.28 1zzz n GLU 186 Cb 0.33 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.23 1zzz n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1zzz n GLY 187 N 0.55 -2.27 0.00 -1.84 0.00 -0.83 -4.53 105.19 96.26 1zzz n GLY 187 Ca 0.16 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1zzz n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zzz n GLY 188 N -3.45 2.16 3.12 -0.02 0.00 0.32 -4.93 105.19 102.40 1zzz n GLY 188 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1zzz n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zzz s LYS 188 N -0.97 0.23 0.10 1.61 1.02 -1.26 -3.60 119.74 116.87 1zzz s LYS 188 Ca 0.00 0.86 -0.25 0.00 0.02 0.00 0.00 55.97 56.60 1zzz s LYS 188 Cb 0.00 0.11 0.09 0.00 -0.52 0.00 0.00 37.83 37.51 1zzz s LYS 188 CO 0.00 -0.26 1.12 0.34 -0.92 0.00 0.00 175.35 175.63 1zzz s ASP 189 N 2.42 -0.03 0.46 2.83 2.15 -0.14 -4.31 116.67 120.05 1zzz s ASP 189 Ca -0.01 -0.45 -0.03 0.00 0.43 0.00 0.00 52.55 52.50 1zzz s ASP 189 Cb -0.12 0.37 -0.02 0.00 -0.30 0.00 0.00 42.92 42.85 1zzz s ASP 189 CO -0.10 -0.71 0.73 -0.94 -0.17 0.00 0.00 175.17 173.97 1zzz s SER 190 N -3.38 6.05 0.33 -0.34 1.04 -1.26 0.99 113.70 117.14 1zzz s SER 190 Ca 0.21 0.64 -0.09 0.00 0.48 0.00 0.00 55.95 57.19 1zzz s SER 190 Cb -0.01 -1.94 0.02 0.00 0.10 0.00 0.00 66.02 64.19 1zzz s SER 190 CO 0.02 -0.63 0.56 0.00 0.98 0.00 0.00 173.24 174.18 1zzz n GLN 192 N -0.51 0.00 0.00 0.00 3.00 -1.26 -1.38 117.38 117.22 1zzz n GLN 192 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1zzz n GLN 192 Cb 0.61 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 29.39 1zzz n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1zzz n GLY 193 N 2.82 1.45 0.17 1.08 0.00 -1.26 -0.59 105.19 108.85 1zzz n GLY 193 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.37 1zzz n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1zzz h ASP 194 N 1.16 0.00 -2.80 1.61 3.32 -1.54 -3.35 116.42 114.82 1zzz h ASP 194 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1zzz h ASP 194 Cb 0.00 0.00 0.17 0.00 0.22 0.00 0.00 39.33 39.72 1zzz h ASP 194 CO 0.00 0.14 -0.54 -1.20 -1.72 0.00 0.00 179.24 175.92 1zzz n SER 195 N -3.02 -1.56 0.00 6.45 7.64 -1.26 -1.93 113.62 119.95 1zzz n SER 195 Ca 0.02 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1zzz n SER 195 Cb 0.60 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1zzz n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zzz n GLY 196 N 1.92 3.05 3.79 0.23 0.00 -0.27 -0.59 105.19 113.32 1zzz n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1zzz n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1zzz s GLY 197 N -1.35 1.64 0.59 -0.02 0.00 -0.81 -3.69 107.32 103.67 1zzz s GLY 197 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 44.72 44.54 1zzz s GLY 197 CO 0.00 0.36 1.04 2.56 0.00 0.00 0.00 173.10 177.06 1zzz s PRO 198 N -5.06 3.41 -0.23 2.90 0.04 -1.26 -1.09 135.00 133.71 1zzz s PRO 198 Ca 0.60 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1zzz s PRO 198 Cb -0.15 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.40 1zzz s PRO 198 CO 0.55 -0.73 -0.05 0.08 0.04 0.00 0.00 177.00 176.89 1zzz s VAL 199 N -2.55 1.46 -0.09 -0.36 1.01 -0.70 -3.65 120.40 115.52 1zzz s VAL 199 Ca 0.62 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1zzz s VAL 199 Cb -0.15 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1zzz s VAL 199 CO 0.38 -0.09 -0.17 -0.69 0.00 0.00 0.00 175.10 174.53 1zzz s VAL 200 N 1.43 2.72 -0.10 2.92 1.01 -0.13 -1.61 120.40 126.63 1zzz s VAL 200 Ca -0.05 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1zzz s VAL 200 Cb -0.19 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.15 1zzz s VAL 200 CO -0.06 0.55 0.02 0.00 0.00 0.00 0.00 175.10 175.62 1zzz n SER 202 N 5.16 -2.11 0.00 0.00 7.64 -1.26 -1.30 113.62 121.75 1zzz n SER 202 Ca -0.07 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.06 1zzz n SER 202 Cb 0.49 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 1zzz n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zzz n GLY 203 N -1.51 0.60 3.67 0.23 0.00 -1.26 -5.03 105.19 101.90 1zzz n GLY 203 Ca -0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 1zzz n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zzz s LYS 204 N -0.40 2.11 -0.51 1.61 -0.14 -0.42 -4.24 119.74 117.75 1zzz s LYS 204 Ca 0.00 -1.87 -0.21 0.00 -1.36 0.00 0.00 55.97 52.53 1zzz s LYS 204 Cb 0.00 -1.89 0.05 0.00 -1.68 0.00 0.00 37.83 34.31 1zzz s LYS 204 CO 0.00 -0.00 0.73 -1.17 -0.76 0.00 0.00 175.35 174.15 1zzz s LEU 209 N -3.79 4.61 -0.03 3.17 2.96 0.21 -1.50 118.68 124.32 1zzz s LEU 209 Ca 0.37 -0.64 0.15 0.00 -0.22 0.00 0.00 54.13 53.80 1zzz s LEU 209 Cb 0.04 -2.62 -0.20 0.00 0.50 0.00 0.00 46.19 43.91 1zzz s LEU 209 CO 0.20 -0.98 0.62 0.00 -1.32 0.00 0.00 176.35 174.87 1zzz n GLN 210 N 6.60 0.64 -4.12 1.98 1.13 -0.63 -4.16 117.38 118.82 1zzz n GLN 210 Ca -0.03 0.20 -0.10 0.00 -1.94 0.00 0.00 57.00 55.13 1zzz n GLN 210 Cb 0.46 -1.74 -0.09 0.00 0.11 0.00 0.00 30.24 28.98 1zzz n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1zzz s GLY 211 N -5.03 1.02 -0.03 1.08 0.00 -0.95 -1.62 107.32 101.78 1zzz s GLY 211 Ca -0.05 -1.39 0.06 0.00 0.00 0.00 0.00 44.72 43.34 1zzz s GLY 211 CO 0.82 -1.22 -0.21 -0.42 0.00 0.00 0.00 173.10 172.08 1zzz s ILE 212 N -4.07 1.69 0.22 0.90 1.01 -1.07 -1.73 121.20 118.15 1zzz s ILE 212 Ca 0.28 -0.90 -0.31 0.00 0.00 0.00 0.00 60.65 59.72 1zzz s ILE 212 Cb 0.06 -1.42 -0.10 0.00 0.01 0.00 0.00 42.46 41.01 1zzz s ILE 212 CO 0.06 0.48 1.53 -0.69 0.00 0.00 0.00 174.94 176.32 1zzz s VAL 213 N -0.33 2.53 0.00 2.92 1.01 -0.25 -1.35 120.40 124.93 1zzz s VAL 213 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1zzz s VAL 213 Cb -0.10 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1zzz s VAL 213 CO 0.01 0.05 0.00 -0.24 0.00 0.00 0.00 175.10 174.92 1zzz n SER 214 N 3.10 0.00 -2.78 3.32 2.88 -0.92 -1.12 113.62 118.10 1zzz n SER 214 Ca 0.10 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.52 1zzz n SER 214 Cb 0.39 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.83 1zzz n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1zzz n TRP 215 N -1.68 -1.47 -2.02 0.66 4.27 -0.73 -4.91 117.44 111.56 1zzz n TRP 215 Ca 0.00 -2.06 0.00 0.00 -3.89 0.00 0.00 57.50 51.55 1zzz n TRP 215 Cb 0.00 0.54 0.00 0.00 -1.36 0.00 0.00 31.31 30.49 1zzz n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1zzz n GLY 216 N -0.52 1.26 2.67 -1.67 0.00 -1.26 -0.48 105.19 105.18 1zzz n GLY 216 Ca -0.01 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1zzz n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zzz s SER 217 N 2.00 3.83 0.67 1.61 0.15 -1.26 -5.05 113.70 115.65 1zzz s SER 217 Ca 0.00 -1.65 0.00 0.00 0.70 0.00 0.00 55.95 55.00 1zzz s SER 217 Cb 0.00 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 1zzz s SER 217 CO 0.00 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1zzz n GLY 219 N 4.81 0.00 3.09 9.45 0.00 -1.26 -4.64 105.19 116.65 1zzz n GLY 219 Ca -0.01 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 1zzz n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zzz n ALA 221 N 3.27 -1.23 -2.11 0.00 0.00 -1.26 -4.60 120.51 114.58 1zzz n ALA 221 Ca -0.19 0.12 -0.38 0.00 0.00 0.00 0.00 53.44 52.99 1zzz n ALA 221 Cb 0.53 -3.94 -0.06 0.00 0.00 0.00 0.00 19.45 15.98 1zzz n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1zzz s GLN 221 N -6.63 4.36 0.36 0.00 -1.52 -1.26 -0.52 119.66 114.45 1zzz s GLN 221 Ca 0.66 0.94 -0.28 0.00 -1.95 0.00 0.00 55.36 54.72 1zzz s GLN 221 Cb -0.34 -3.14 -0.11 0.00 -0.22 0.00 0.00 33.01 29.20 1zzz s GLN 221 CO 0.81 0.54 1.50 1.17 -0.25 0.00 0.00 175.29 179.06 1zzz n LYS 222 N 1.36 2.67 -1.59 2.91 4.81 -1.26 -2.60 118.16 124.47 1zzz n LYS 222 Ca -0.06 0.94 -0.10 0.00 -0.87 0.00 0.00 58.31 58.22 1zzz n LYS 222 Cb 0.50 -2.67 -0.03 0.00 0.02 0.00 0.00 35.03 32.84 1zzz n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1zzz n ASN 223 N 0.73 -2.87 -3.21 3.14 4.13 0.28 -4.88 115.26 112.59 1zzz n ASN 223 Ca 0.02 0.25 -0.24 0.00 1.68 0.00 0.00 54.58 56.30 1zzz n ASN 223 Cb 0.38 -2.70 -0.06 0.00 -1.54 0.00 0.00 39.78 35.87 1zzz n ASN 223 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1zzz n LYS 224 N -1.95 1.63 -0.67 3.52 4.76 -1.07 -4.77 118.16 119.61 1zzz n LYS 224 Ca -0.11 -3.88 -0.31 0.00 -2.87 0.00 0.00 58.31 51.14 1zzz n LYS 224 Cb 0.40 -1.75 0.17 0.00 -1.84 0.00 0.00 35.03 32.01 1zzz n LYS 224 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1zzz n PRO 225 N 0.75 -0.66 -2.24 1.97 -0.04 -1.26 -4.41 135.00 129.10 1zzz n PRO 225 Ca 0.26 -0.13 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 1zzz n PRO 225 Cb 0.51 -2.27 -0.01 0.00 -0.04 0.00 0.00 33.50 31.69 1zzz n PRO 225 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1zzz s GLY 226 N -2.51 2.20 -0.09 0.55 0.00 -1.13 -4.67 107.32 101.68 1zzz s GLY 226 Ca 0.65 0.40 0.01 0.00 0.00 0.00 0.00 44.72 45.78 1zzz s GLY 226 CO 0.60 0.70 -0.09 0.14 0.00 0.00 0.00 173.10 174.45 1zzz s VAL 227 N -2.38 3.44 0.07 1.40 1.01 0.36 -1.80 120.40 122.51 1zzz s VAL 227 Ca 0.63 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.11 1zzz s VAL 227 Cb -0.15 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1zzz s VAL 227 CO 0.32 0.57 -0.16 -0.31 0.00 0.00 0.00 175.10 175.52 1zzz s TYR 228 N -0.40 1.36 0.16 5.22 1.51 0.82 -1.76 117.35 124.25 1zzz s TYR 228 Ca 0.05 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 1zzz s TYR 228 Cb -0.12 -0.77 -0.08 0.00 -0.11 0.00 0.00 41.96 40.88 1zzz s TYR 228 CO 0.02 0.08 1.21 0.99 -1.11 0.00 0.00 175.55 176.74 1zzz s THR 229 N -1.10 3.62 -1.01 -0.71 2.01 -0.46 -0.71 115.64 117.29 1zzz s THR 229 Ca 0.01 1.32 -0.18 0.00 0.31 0.00 0.00 61.69 63.16 1zzz s THR 229 Cb -0.09 -3.84 0.14 0.00 0.01 0.00 0.00 72.50 68.71 1zzz s THR 229 CO 0.02 0.19 1.23 -0.75 -0.69 0.00 0.00 174.62 174.62 1zzz s LYS 230 N 0.02 3.74 0.33 4.92 2.20 -0.51 -2.60 119.74 127.83 1zzz s LYS 230 Ca 0.54 -1.96 0.06 0.00 -0.36 0.00 0.00 55.97 54.25 1zzz s LYS 230 Cb -0.32 -4.98 0.71 0.00 -1.51 0.00 0.00 37.83 31.73 1zzz s LYS 230 CO 0.35 -1.79 1.87 0.28 -0.36 0.00 0.00 175.35 175.70 1zzz h VAL 231 N 5.55 0.89 -0.30 4.02 2.07 -1.61 -1.92 116.25 124.95 1zzz h VAL 231 Ca 0.21 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1zzz h VAL 231 Cb 0.98 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1zzz h VAL 231 CO 1.16 0.15 0.38 0.00 0.02 0.00 0.00 177.57 179.28 1zzz n ASN 233 N -3.61 0.30 -0.36 0.00 3.02 -0.72 -3.90 115.26 109.99 1zzz n ASN 233 Ca 0.05 0.53 0.04 0.00 -0.03 0.00 0.00 54.58 55.17 1zzz n ASN 233 Cb 0.52 -0.61 0.06 0.00 -0.61 0.00 0.00 39.78 39.14 1zzz n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1zzz n TYR 234 N -1.78 0.10 0.03 3.10 4.01 0.26 -4.80 117.16 118.08 1zzz n TYR 234 Ca 0.06 -0.15 -0.11 0.00 -0.16 0.00 0.00 57.90 57.54 1zzz n TYR 234 Cb 0.35 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.32 1zzz n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1zzz h VAL 235 N 1.55 0.84 -0.59 -0.72 2.07 -1.66 0.88 116.25 118.61 1zzz h VAL 235 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1zzz h VAL 235 Cb 0.44 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1zzz h VAL 235 CO 0.00 0.00 0.28 0.28 0.02 0.00 0.00 177.57 178.15 1zzz h SER 236 N -0.09 0.36 -0.05 0.57 0.02 -1.88 -0.12 113.55 112.36 1zzz h SER 236 Ca 0.04 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1zzz h SER 236 Cb 0.14 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1zzz h SER 236 CO -0.09 0.23 -0.02 -0.25 -1.14 0.00 0.00 176.83 175.57 1zzz h TRP 237 N 0.51 -0.05 -0.14 3.45 7.01 -1.82 0.28 115.95 125.20 1zzz h TRP 237 Ca 0.28 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.32 1zzz h TRP 237 Cb 0.25 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 1zzz h TRP 237 CO -0.12 -0.04 -0.06 0.82 -2.79 0.00 0.00 178.44 176.25 1zzz h ILE 238 N -0.02 0.79 -0.69 2.65 2.04 -0.57 0.13 117.51 121.84 1zzz h ILE 238 Ca 0.03 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 1zzz h ILE 238 Cb 0.06 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1zzz h ILE 238 CO -0.06 0.00 0.23 0.11 0.00 0.00 0.00 178.15 178.43 1zzz h LYS 239 N -0.05 1.07 -0.56 2.37 1.57 -0.73 0.58 116.57 120.82 1zzz h LYS 239 Ca 0.08 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 1zzz h LYS 239 Cb 0.16 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1zzz h LYS 239 CO -0.17 0.92 -0.07 1.96 -0.57 0.00 0.00 179.45 181.51 1zzz h GLN 240 N 1.01 1.05 -0.08 3.15 4.20 -0.13 -0.67 115.11 123.65 1zzz h GLN 240 Ca 0.23 -0.37 -0.20 0.00 0.06 0.00 0.00 58.65 58.36 1zzz h GLN 240 Cb 0.29 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1zzz h GLN 240 CO -0.01 1.07 -0.78 1.15 -0.67 0.00 0.00 178.83 179.59 1zzz h THR 241 N 0.93 1.36 -0.44 -0.54 2.02 -0.36 -2.92 112.91 112.96 1zzz h THR 241 Ca 0.15 -2.17 -0.13 0.00 0.77 0.00 0.00 66.41 65.04 1zzz h THR 241 Cb 0.64 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1zzz h THR 241 CO 0.04 0.66 -0.23 0.40 0.37 0.00 0.00 175.52 176.76 1zzz h ILE 242 N 0.32 1.27 -0.44 3.11 2.04 -0.59 -2.82 117.51 120.40 1zzz h ILE 242 Ca -0.04 -1.38 0.02 0.00 1.00 0.00 0.00 64.86 64.46 1zzz h ILE 242 Cb 1.38 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 1zzz h ILE 242 CO 0.14 0.47 0.29 0.00 0.00 0.00 0.00 178.15 179.05 1zzz h ALA 243 N 0.95 1.77 -0.19 1.87 0.00 -1.06 -3.05 119.26 119.54 1zzz h ALA 243 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1zzz h ALA 243 Cb 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1zzz h ALA 243 CO 0.07 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.37 1zzz n SER 244 N -4.48 2.42 0.00 0.00 3.41 -1.11 -5.12 113.62 108.74 1zzz n SER 244 Ca 0.04 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1zzz n SER 244 Cb 0.12 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1zzz n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47