#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1p s VAL 17 N 0.00 4.68 -1.13 1.39 1.01 -0.24 -3.98 120.40 122.13 1k1p s VAL 17 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1k1p s VAL 17 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1k1p s VAL 17 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1k1p n GLY 18 N 3.13 0.21 0.00 4.51 0.00 -1.24 -2.27 105.19 109.54 1k1p n GLY 18 Ca -0.17 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1k1p n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1p n GLY 19 N -1.12 3.11 3.13 -0.02 0.00 -1.26 -4.83 105.19 104.21 1k1p n GLY 19 Ca -0.14 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.73 1k1p n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k1p s TYR 20 N 1.66 0.76 -0.06 1.61 -0.85 -0.00 -4.93 117.35 115.53 1k1p s TYR 20 Ca 0.00 -0.90 -0.30 0.00 -0.52 0.00 0.00 57.07 55.35 1k1p s TYR 20 Cb 0.00 -0.46 -0.05 0.00 0.38 0.00 0.00 41.96 41.83 1k1p s TYR 20 CO 0.00 -0.20 1.50 0.99 -1.52 0.00 0.00 175.55 176.32 1k1p s THR 21 N -3.41 3.74 0.11 -3.49 2.01 -1.26 0.17 115.64 113.50 1k1p s THR 21 Ca 0.08 0.98 -0.21 0.00 0.31 0.00 0.00 61.69 62.84 1k1p s THR 21 Cb 0.04 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.84 1k1p s THR 21 CO -0.05 -0.06 1.73 0.00 -0.69 0.00 0.00 174.62 175.55 1k1p n GLY 23 N -1.14 3.18 3.59 0.00 0.00 -1.26 -4.81 105.19 104.74 1k1p n GLY 23 Ca -0.04 -1.54 -0.61 0.00 0.00 0.00 0.00 46.02 43.83 1k1p n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1p n ALA 24 N 0.51 -0.31 -2.31 4.61 0.00 -1.26 -2.03 120.51 119.73 1k1p n ALA 24 Ca 0.00 0.32 -0.20 0.00 0.00 0.00 0.00 53.44 53.56 1k1p n ALA 24 Cb 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 1k1p n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1k1p n ASN 25 N 5.99 -5.76 0.07 0.00 3.02 -1.26 -4.88 115.26 112.44 1k1p n ASN 25 Ca 0.36 0.06 0.13 0.00 -0.03 0.00 0.00 54.58 55.10 1k1p n ASN 25 Cb 0.04 -4.83 0.40 0.00 -0.61 0.00 0.00 39.78 34.78 1k1p n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1k1p n THR 26 N -3.78 0.40 -3.45 3.41 -2.24 -0.86 -3.93 114.28 103.83 1k1p n THR 26 Ca -0.24 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.07 1k1p n THR 26 Cb 0.68 -0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 68.39 1k1p n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1k1p n VAL 27 N -2.04 1.58 0.26 2.28 0.31 -1.26 -4.97 118.33 114.49 1k1p n VAL 27 Ca 0.05 -4.89 0.18 0.00 -0.01 0.00 0.00 64.34 59.68 1k1p n VAL 27 Cb 0.41 -2.07 0.90 0.00 -0.91 0.00 0.00 33.84 32.17 1k1p n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1k1p h PRO 28 N 4.39 0.00 -0.00 5.55 0.13 -1.79 -2.12 132.00 138.17 1k1p h PRO 28 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1k1p h PRO 28 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1k1p h PRO 28 CO 0.74 0.00 -0.24 2.48 -0.23 0.00 0.00 178.00 180.75 1k1p n TYR 29 N -3.35 0.00 -2.37 1.56 0.18 -1.16 -2.50 117.16 109.51 1k1p n TYR 29 Ca 0.00 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.37 1k1p n TYR 29 Cb 0.32 -0.29 -0.03 0.00 -0.38 0.00 0.00 39.34 38.96 1k1p n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1k1p s GLN 30 N -2.83 4.47 0.17 -3.48 2.00 -0.80 -1.53 119.66 117.66 1k1p s GLN 30 Ca 0.17 1.86 0.08 0.00 -2.00 0.00 0.00 55.36 55.47 1k1p s GLN 30 Cb 0.19 -3.26 -0.04 0.00 0.80 0.00 0.00 33.01 30.69 1k1p s GLN 30 CO 0.58 -0.15 -0.16 0.14 -0.50 0.00 0.00 175.29 175.20 1k1p s VAL 31 N 0.27 1.70 -0.16 1.34 -7.23 -0.29 -4.45 120.40 111.57 1k1p s VAL 31 Ca 0.55 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1k1p s VAL 31 Cb -0.32 -1.86 -0.00 0.00 0.56 0.00 0.00 36.38 34.76 1k1p s VAL 31 CO 0.34 -0.44 -0.13 -0.55 -0.31 0.00 0.00 175.10 174.02 1k1p s SER 32 N -2.86 3.83 -0.20 4.85 0.15 -0.52 -1.92 113.70 117.04 1k1p s SER 32 Ca 0.17 -0.43 -0.21 0.00 0.70 0.00 0.00 55.95 56.18 1k1p s SER 32 Cb -0.04 -1.60 -0.02 0.00 -1.71 0.00 0.00 66.02 62.65 1k1p s SER 32 CO 0.06 0.08 0.64 -0.76 1.20 0.00 0.00 173.24 174.46 1k1p s LEU 33 N 0.86 4.15 -0.07 3.45 1.43 0.49 -0.78 118.68 128.20 1k1p s LEU 33 Ca -0.04 0.85 0.04 0.00 -1.03 0.00 0.00 54.13 53.96 1k1p s LEU 33 Cb -0.15 -2.91 -0.00 0.00 0.03 0.00 0.00 46.19 43.16 1k1p s LEU 33 CO -0.00 -0.28 -0.21 0.21 0.23 0.00 0.00 176.35 176.30 1k1p s ASN 34 N 1.20 2.66 -0.34 2.29 3.84 0.12 -1.50 114.94 123.21 1k1p s ASN 34 Ca 0.29 -0.46 0.13 0.00 0.21 0.00 0.00 52.86 53.04 1k1p s ASN 34 Cb -0.16 -1.00 0.46 0.00 -0.55 0.00 0.00 41.25 40.00 1k1p s ASN 34 CO 0.10 0.16 1.06 -1.54 -2.79 0.00 0.00 177.10 174.09 1k1p n SER 37 N 3.36 2.97 0.00 -4.21 3.41 -1.26 -1.29 113.62 116.60 1k1p n SER 37 Ca -0.19 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 1k1p n SER 37 Cb 0.53 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1k1p n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k1p n GLY 38 N -0.38 0.31 3.58 5.00 0.00 -1.26 -5.00 105.19 107.43 1k1p n GLY 38 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 1k1p n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k1p s TYR 39 N -2.00 -0.20 0.14 1.61 1.13 -1.26 -5.14 117.35 111.62 1k1p s TYR 39 Ca 0.00 0.09 -0.30 0.00 -1.41 0.00 0.00 57.07 55.44 1k1p s TYR 39 Cb 0.00 0.54 -0.07 0.00 -1.10 0.00 0.00 41.96 41.33 1k1p s TYR 39 CO 0.00 -0.41 1.21 -1.58 -2.51 0.00 0.00 175.55 172.26 1k1p s HIS 40 N -2.78 3.43 0.00 -3.49 5.65 -1.26 -4.26 115.29 112.58 1k1p s HIS 40 Ca 0.08 1.36 0.00 0.00 0.25 0.00 0.00 55.06 56.75 1k1p s HIS 40 Cb -0.00 -3.43 0.00 0.00 -1.18 0.00 0.00 32.58 27.96 1k1p s HIS 40 CO -0.06 -1.28 0.00 1.97 -0.65 0.00 0.00 174.74 174.73 1k1p n PHE 41 N 3.10 0.00 -3.52 3.88 1.16 -0.56 -4.96 117.46 116.56 1k1p n PHE 41 Ca 0.06 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.56 1k1p n PHE 41 Cb 0.45 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.30 1k1p n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1k1p n GLY 43 N -0.26 2.02 3.72 0.00 0.00 0.16 -0.38 105.19 110.45 1k1p n GLY 43 Ca -0.08 -2.18 0.02 0.00 0.00 0.00 0.00 46.02 43.77 1k1p n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1p s GLY 44 N -3.33 -0.35 -0.04 -0.02 0.00 -0.81 -3.98 107.32 98.79 1k1p s GLY 44 Ca 0.30 0.55 0.03 0.00 0.00 0.00 0.00 44.72 45.61 1k1p s GLY 44 CO 0.19 1.76 -0.14 -0.56 0.00 0.00 0.00 173.10 174.36 1k1p s SER 45 N -3.23 1.80 -0.20 1.64 0.01 -0.41 -1.14 113.70 112.17 1k1p s SER 45 Ca 0.19 -0.29 -0.27 0.00 1.31 0.00 0.00 55.95 56.88 1k1p s SER 45 Cb 0.04 -0.58 -0.00 0.00 0.21 0.00 0.00 66.02 65.69 1k1p s SER 45 CO -0.03 0.10 0.94 -0.22 0.41 0.00 0.00 173.24 174.43 1k1p s LEU 46 N 0.23 4.13 -0.02 2.44 2.96 -0.58 -0.45 118.68 127.40 1k1p s LEU 46 Ca -0.06 1.27 0.20 0.00 -0.22 0.00 0.00 54.13 55.32 1k1p s LEU 46 Cb -0.12 -3.39 -0.27 0.00 0.50 0.00 0.00 46.19 42.91 1k1p s LEU 46 CO 0.02 -0.54 0.58 2.30 -1.32 0.00 0.00 176.35 177.39 1k1p n ILE 47 N 5.06 0.00 -3.84 6.68 -5.35 -0.39 -1.07 119.36 120.44 1k1p n ILE 47 Ca 0.08 -0.30 -0.03 0.00 -0.27 0.00 0.00 62.75 62.24 1k1p n ILE 47 Cb 0.47 0.40 0.01 0.00 -1.74 0.00 0.00 39.64 38.78 1k1p n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1k1p s ASN 48 N -3.74 -0.04 0.50 7.28 6.03 -1.22 -4.57 114.94 119.19 1k1p s ASN 48 Ca -0.02 -0.55 0.34 0.00 -1.03 0.00 0.00 52.86 51.60 1k1p s ASN 48 Cb 0.13 0.46 1.84 0.00 -3.03 0.00 0.00 41.25 40.65 1k1p s ASN 48 CO 0.81 -0.89 2.04 0.77 -2.03 0.00 0.00 177.10 177.80 1k1p h SER 49 N 2.00 0.00 -0.00 3.54 4.64 -1.96 -3.01 113.55 118.76 1k1p h SER 49 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1k1p h SER 49 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1k1p h SER 49 CO 0.33 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 176.25 1k1p n GLN 50 N -2.69 2.15 -4.40 4.77 6.02 -1.26 -0.92 117.38 121.05 1k1p n GLN 50 Ca -0.02 -0.37 -0.19 0.00 -0.01 0.00 0.00 57.00 56.40 1k1p n GLN 50 Cb 0.05 -0.86 -0.14 0.00 1.02 0.00 0.00 30.24 30.31 1k1p n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1k1p s TRP 51 N -0.58 0.97 -0.03 1.08 0.52 -1.14 -1.03 118.94 118.73 1k1p s TRP 51 Ca 0.02 -0.23 0.05 0.00 0.02 0.00 0.00 56.10 55.96 1k1p s TRP 51 Cb 0.02 -0.61 -0.01 0.00 -1.15 0.00 0.00 33.47 31.72 1k1p s TRP 51 CO 0.05 -0.01 -0.19 0.08 0.02 0.00 0.00 176.95 176.90 1k1p s VAL 52 N -0.43 1.55 -0.12 4.03 1.01 0.03 -1.27 120.40 125.21 1k1p s VAL 52 Ca 0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1k1p s VAL 52 Cb -0.05 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1k1p s VAL 52 CO -0.00 0.44 0.00 -0.69 0.00 0.00 0.00 175.10 174.85 1k1p s VAL 53 N -0.23 4.30 0.00 2.92 1.01 0.40 -0.50 120.40 128.29 1k1p s VAL 53 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1k1p s VAL 53 Cb -0.10 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1k1p s VAL 53 CO 0.01 0.56 0.00 -0.24 0.00 0.00 0.00 175.10 175.42 1k1p n SER 54 N 2.69 0.00 -4.89 3.32 2.88 -0.03 -1.28 113.62 116.32 1k1p n SER 54 Ca -0.18 -0.83 -0.35 0.00 -1.33 0.00 0.00 58.87 56.19 1k1p n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 1k1p n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k1p s ALA 55 N -1.77 3.88 0.28 -1.46 0.00 -1.26 -0.93 121.76 120.51 1k1p s ALA 55 Ca 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1k1p s ALA 55 Cb 0.00 -2.00 0.55 0.00 0.00 0.00 0.00 23.12 21.67 1k1p s ALA 55 CO 0.00 0.67 1.84 0.00 0.00 0.00 0.00 175.76 178.27 1k1p h ALA 56 N 4.08 1.52 0.00 0.00 0.00 -1.71 -0.92 119.26 122.23 1k1p h ALA 56 Ca -0.50 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1k1p h ALA 56 Cb 1.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1k1p h ALA 56 CO 0.66 0.24 0.00 -2.39 0.00 0.00 0.00 179.25 177.76 1k1p n HIS 57 N -4.61 0.00 1.09 0.00 1.44 -1.26 -1.37 115.22 110.51 1k1p n HIS 57 Ca 0.19 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.01 1k1p n HIS 57 Cb 0.34 -0.22 0.18 0.00 0.12 0.00 0.00 29.99 30.42 1k1p n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1k1p n TYR 59 N -0.87 1.30 -3.46 0.00 4.19 -0.47 -4.98 117.16 112.88 1k1p n TYR 59 Ca 0.09 0.69 -0.12 0.00 3.31 0.00 0.00 57.90 61.86 1k1p n TYR 59 Cb 0.37 -2.28 -0.03 0.00 0.49 0.00 0.00 39.34 37.89 1k1p n TYR 59 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1k1p s LYS 60 N -0.09 1.14 -0.02 2.98 2.20 -1.26 -5.14 119.74 119.55 1k1p s LYS 60 Ca 0.78 -0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 56.03 1k1p s LYS 60 Cb -0.91 0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 35.90 1k1p s LYS 60 CO 0.51 -0.48 0.21 0.45 -0.36 0.00 0.00 175.35 175.68 1k1p s SER 61 N -2.41 6.43 -0.08 1.43 0.15 -1.26 -4.60 113.70 113.36 1k1p s SER 61 Ca -0.00 0.45 -0.00 0.00 0.70 0.00 0.00 55.95 57.10 1k1p s SER 61 Cb -0.01 -2.05 -0.00 0.00 -1.71 0.00 0.00 66.02 62.25 1k1p s SER 61 CO -0.08 0.28 0.07 0.61 1.20 0.00 0.00 173.24 175.31 1k1p n GLY 62 N 1.15 0.46 3.77 9.45 0.00 -1.26 -5.06 105.19 113.70 1k1p n GLY 62 Ca -0.12 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 1k1p n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k1p s ILE 63 N -3.03 5.20 -0.11 -0.61 1.01 -1.26 -4.62 121.20 117.78 1k1p s ILE 63 Ca 0.01 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1k1p s ILE 63 Cb -0.00 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 1k1p s ILE 63 CO 0.05 0.54 -0.14 -1.58 0.00 0.00 0.00 174.94 173.81 1k1p s GLN 64 N -0.37 3.13 -0.21 2.79 0.74 -0.41 -2.01 119.66 123.31 1k1p s GLN 64 Ca 0.11 -0.70 -0.14 0.00 0.05 0.00 0.00 55.36 54.68 1k1p s GLN 64 Cb -0.12 -2.55 -0.04 0.00 1.10 0.00 0.00 33.01 31.40 1k1p s GLN 64 CO 0.01 0.33 0.32 0.08 -0.55 0.00 0.00 175.29 175.48 1k1p s VAL 65 N 0.05 5.25 -0.26 1.34 1.01 0.11 -0.70 120.40 127.20 1k1p s VAL 65 Ca -0.05 0.54 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 1k1p s VAL 65 Cb -0.15 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1k1p s VAL 65 CO 0.04 0.28 0.02 -0.13 0.00 0.00 0.00 175.10 175.31 1k1p s ARG 66 N 1.22 3.20 0.20 2.72 0.52 0.04 -1.14 118.95 125.71 1k1p s ARG 66 Ca 0.15 -0.76 0.07 0.00 -0.52 0.00 0.00 55.73 54.67 1k1p s ARG 66 Cb -0.14 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1k1p s ARG 66 CO 0.07 -0.33 0.07 -0.51 0.02 0.00 0.00 175.30 174.62 1k1p s LEU 67 N 1.48 3.52 -1.07 2.53 1.43 -0.14 -1.43 118.68 125.00 1k1p s LEU 67 Ca 0.04 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1k1p s LEU 67 Cb -0.16 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.95 1k1p s LEU 67 CO -0.00 0.04 0.17 0.61 0.23 0.00 0.00 176.35 177.40 1k1p n GLY 69 N -0.51 -0.14 3.88 -3.19 0.00 -1.26 -1.35 105.19 102.62 1k1p n GLY 69 Ca -0.08 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 1k1p n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k1p s GLU 70 N -4.93 3.67 0.00 1.61 0.41 -1.26 -3.81 118.70 114.38 1k1p s GLU 70 Ca 0.09 0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.68 1k1p s GLU 70 Cb -0.04 -3.01 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 1k1p s GLU 70 CO 0.11 0.58 0.00 -3.47 -0.49 0.00 0.00 175.26 171.99 1k1p n ASP 71 N 0.85 0.00 -4.59 -0.19 2.03 -1.26 -4.61 116.55 108.78 1k1p n ASP 71 Ca -0.08 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.81 1k1p n ASP 71 Cb 0.52 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 1k1p n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1k1p s ASN 72 N -1.54 6.54 0.00 1.67 3.84 -1.24 -2.80 114.94 121.41 1k1p s ASN 72 Ca 0.00 0.43 0.23 0.00 0.21 0.00 0.00 52.86 53.73 1k1p s ASN 72 Cb 0.00 -2.37 1.07 0.00 -0.55 0.00 0.00 41.25 39.40 1k1p s ASN 72 CO 0.00 -0.60 1.75 2.30 -2.79 0.00 0.00 177.10 177.76 1k1p n ILE 73 N 5.56 0.35 0.69 -5.21 -5.35 -0.02 -3.19 119.36 112.20 1k1p n ILE 73 Ca 0.01 0.09 0.08 0.00 -0.27 0.00 0.00 62.75 62.66 1k1p n ILE 73 Cb 0.48 -0.70 0.03 0.00 -1.74 0.00 0.00 39.64 37.71 1k1p n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1k1p n ASN 74 N -1.41 1.91 -4.00 7.28 3.02 -1.26 -4.95 115.26 115.85 1k1p n ASN 74 Ca 0.08 -1.46 -0.23 0.00 -0.03 0.00 0.00 54.58 52.95 1k1p n ASN 74 Cb 0.23 0.28 -0.16 0.00 -0.61 0.00 0.00 39.78 39.52 1k1p n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k1p s VAL 75 N -1.67 0.94 -0.42 2.41 1.01 -1.19 -5.10 120.40 116.38 1k1p s VAL 75 Ca 0.16 -0.40 -0.27 0.00 0.00 0.00 0.00 61.98 61.47 1k1p s VAL 75 Cb 0.13 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1k1p s VAL 75 CO 0.32 0.30 1.03 -0.69 0.00 0.00 0.00 175.10 176.05 1k1p s VAL 76 N 0.51 4.41 -1.35 2.92 1.01 -1.26 -4.68 120.40 121.96 1k1p s VAL 76 Ca -0.10 1.19 0.20 0.00 0.00 0.00 0.00 61.98 63.27 1k1p s VAL 76 Cb -0.13 -4.47 -0.12 0.00 0.00 0.00 0.00 36.38 31.66 1k1p s VAL 76 CO 0.02 -0.77 0.91 -0.62 0.00 0.00 0.00 175.10 174.65 1k1p n GLU 77 N 7.26 0.90 0.00 2.72 1.02 -1.26 -5.02 120.64 126.26 1k1p n GLU 77 Ca 0.09 -0.42 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 1k1p n GLU 77 Cb 0.48 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1k1p n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k1p n GLY 78 N 1.41 2.22 0.98 0.62 0.00 -1.26 -4.96 105.19 104.20 1k1p n GLY 78 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1k1p n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k1p n ASN 79 N 0.00 3.61 -4.86 1.61 3.02 -1.26 -5.02 115.26 112.36 1k1p n ASN 79 Ca 0.00 -2.25 -0.31 0.00 -0.03 0.00 0.00 54.58 51.99 1k1p n ASN 79 Cb 0.00 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 1k1p n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1k1p s GLU 80 N -1.45 3.85 -0.10 3.52 8.01 -1.25 -4.37 118.70 126.91 1k1p s GLU 80 Ca 0.36 0.78 -0.03 0.00 0.01 0.00 0.00 54.97 56.09 1k1p s GLU 80 Cb 0.22 -2.21 0.04 0.00 -4.31 0.00 0.00 34.13 27.87 1k1p s GLU 80 CO 0.19 -0.24 0.05 -0.65 0.01 0.00 0.00 175.26 174.62 1k1p s GLN 81 N -4.16 0.25 -0.32 1.61 -0.21 -0.46 -4.98 119.66 111.41 1k1p s GLN 81 Ca 0.56 0.09 -0.09 0.00 0.02 0.00 0.00 55.36 55.93 1k1p s GLN 81 Cb -0.10 -1.16 0.00 0.00 1.00 0.00 0.00 33.01 32.75 1k1p s GLN 81 CO 0.34 -0.44 0.14 -0.06 -2.12 0.00 0.00 175.29 173.16 1k1p s PHE 82 N 2.06 3.18 -0.04 0.91 2.99 -1.26 -0.96 117.98 124.86 1k1p s PHE 82 Ca 0.04 -0.71 0.02 0.00 0.00 0.00 0.00 56.93 56.28 1k1p s PHE 82 Cb -0.14 -2.34 0.01 0.00 0.00 0.00 0.00 43.02 40.55 1k1p s PHE 82 CO -0.06 -0.51 -0.09 0.42 -0.00 0.00 0.00 175.22 174.99 1k1p s ILE 83 N 1.58 0.83 0.52 0.64 1.01 -0.29 -4.98 121.20 120.50 1k1p s ILE 83 Ca 0.04 -0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.16 1k1p s ILE 83 Cb -0.17 -0.76 -0.07 0.00 0.01 0.00 0.00 42.46 41.46 1k1p s ILE 83 CO 0.05 0.27 1.01 -0.44 0.00 0.00 0.00 174.94 175.83 1k1p s SER 84 N 0.44 6.39 0.03 3.58 0.01 -1.26 0.06 113.70 122.95 1k1p s SER 84 Ca -0.08 1.73 -0.24 0.00 1.31 0.00 0.00 55.95 58.68 1k1p s SER 84 Cb -0.12 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 1k1p s SER 84 CO 0.01 -0.75 0.73 0.00 0.41 0.00 0.00 173.24 173.64 1k1p s ALA 85 N -2.37 3.39 -0.06 1.44 0.00 -0.85 -0.54 121.76 122.77 1k1p s ALA 85 Ca 0.62 0.22 0.13 0.00 0.00 0.00 0.00 51.96 52.94 1k1p s ALA 85 Cb -0.13 -2.94 -0.22 0.00 0.00 0.00 0.00 23.12 19.83 1k1p s ALA 85 CO 0.27 0.07 0.67 -1.13 0.00 0.00 0.00 175.76 175.64 1k1p n SER 86 N 2.88 0.84 -3.54 0.00 3.41 0.12 -4.76 113.62 112.56 1k1p n SER 86 Ca -0.03 0.40 -0.16 0.00 -0.26 0.00 0.00 58.87 58.82 1k1p n SER 86 Cb 0.50 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 1k1p n SER 86 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1k1p s LYS 87 N -2.64 0.93 -0.02 4.33 -2.85 -1.22 -5.02 119.74 113.25 1k1p s LYS 87 Ca -0.05 0.30 0.06 0.00 -1.00 0.00 0.00 55.97 55.28 1k1p s LYS 87 Cb 0.08 0.44 -0.01 0.00 -2.06 0.00 0.00 37.83 36.28 1k1p s LYS 87 CO 0.82 -0.28 -0.20 -1.12 0.10 0.00 0.00 175.35 174.68 1k1p s SER 88 N -1.02 2.33 -0.22 0.03 0.01 -1.26 -0.98 113.70 112.59 1k1p s SER 88 Ca -0.08 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 56.81 1k1p s SER 88 Cb -0.01 -0.31 0.06 0.00 0.21 0.00 0.00 66.02 65.98 1k1p s SER 88 CO 0.07 0.23 0.00 -0.63 0.41 0.00 0.00 173.24 173.33 1k1p s ILE 89 N -0.40 0.95 0.23 1.44 1.01 -0.15 -4.99 121.20 119.28 1k1p s ILE 89 Ca 0.06 -0.87 -0.22 0.00 0.00 0.00 0.00 60.65 59.62 1k1p s ILE 89 Cb -0.08 -1.37 -0.08 0.00 0.01 0.00 0.00 42.46 40.93 1k1p s ILE 89 CO -0.00 -0.19 0.77 -0.69 0.00 0.00 0.00 174.94 174.83 1k1p s VAL 90 N 1.66 4.46 0.25 2.92 1.01 -1.26 -0.93 120.40 128.52 1k1p s VAL 90 Ca -0.02 1.46 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 1k1p s VAL 90 Cb -0.18 -3.94 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 1k1p s VAL 90 CO -0.08 0.26 1.13 1.57 0.00 0.00 0.00 175.10 177.97 1k1p n HIS 91 N 0.86 1.48 0.18 5.22 -0.00 -0.69 -4.85 115.22 117.42 1k1p n HIS 91 Ca -0.02 0.65 0.16 0.00 0.46 0.00 0.00 57.72 58.97 1k1p n HIS 91 Cb 0.50 -2.30 0.77 0.00 -0.12 0.00 0.00 29.99 28.85 1k1p n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1k1p h PRO 92 N 2.73 0.00 -0.37 1.57 0.13 -1.93 -2.48 132.00 131.65 1k1p h PRO 92 Ca -0.42 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.66 1k1p h PRO 92 Cb 1.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 1k1p h PRO 92 CO 0.65 0.00 0.03 0.43 -0.23 0.00 0.00 178.00 178.88 1k1p n SER 93 N -4.06 4.01 -4.74 1.44 7.64 -1.26 -5.02 113.62 111.64 1k1p n SER 93 Ca 0.02 -3.14 -0.42 0.00 1.01 0.00 0.00 58.87 56.34 1k1p n SER 93 Cb 0.32 -0.60 -0.02 0.00 -1.01 0.00 0.00 64.21 62.90 1k1p n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k1p s TYR 94 N -2.91 2.95 -0.27 1.43 6.14 -0.94 -4.71 117.35 119.05 1k1p s TYR 94 Ca 0.46 0.79 0.01 0.00 0.64 0.00 0.00 57.07 58.96 1k1p s TYR 94 Cb 0.37 -3.95 0.05 0.00 0.42 0.00 0.00 41.96 38.86 1k1p s TYR 94 CO 0.09 -3.28 -0.07 1.21 0.64 0.00 0.00 175.55 174.15 1k1p s ASN 95 N 0.69 4.55 0.26 4.32 3.84 -0.85 -4.99 114.94 122.76 1k1p s ASN 95 Ca 0.65 -1.26 0.23 0.00 0.21 0.00 0.00 52.86 52.69 1k1p s ASN 95 Cb -0.45 -1.62 0.99 0.00 -0.55 0.00 0.00 41.25 39.62 1k1p s ASN 95 CO 0.40 -0.20 1.71 -1.54 -2.79 0.00 0.00 177.10 174.67 1k1p n SER 96 N 4.54 0.66 0.07 -4.21 3.41 -1.26 -0.13 113.62 116.70 1k1p n SER 96 Ca -0.14 0.67 -0.23 0.00 -0.26 0.00 0.00 58.87 58.91 1k1p n SER 96 Cb 0.43 -0.81 -0.15 0.00 -0.26 0.00 0.00 64.21 63.43 1k1p n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1k1p h ASN 97 N 0.00 0.61 0.00 4.04 -0.26 -1.97 -3.39 115.58 114.61 1k1p h ASN 97 Ca 0.00 -0.93 0.00 0.00 -0.56 0.00 0.00 56.30 54.81 1k1p h ASN 97 Cb 0.34 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1k1p h ASN 97 CO 0.00 1.74 -1.36 0.35 -1.06 0.00 0.00 177.43 177.11 1k1p n THR 98 N -3.68 0.00 -1.70 2.81 -2.24 -1.19 -5.00 114.28 103.28 1k1p n THR 98 Ca -0.23 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.18 1k1p n THR 98 Cb 1.04 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.74 1k1p n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1k1p n LEU 99 N -1.79 -1.05 -4.75 3.22 4.32 0.81 -5.00 117.00 112.76 1k1p n LEU 99 Ca -0.00 0.12 -0.41 0.00 -0.02 0.00 0.00 56.01 55.70 1k1p n LEU 99 Cb 0.37 -1.62 -0.04 0.00 -1.62 0.00 0.00 43.42 40.51 1k1p n LEU 99 CO 0.35 -0.32 0.78 0.21 -1.22 0.00 0.00 177.39 177.19 1k1p s ASN 100 N -2.74 7.30 -1.03 -1.43 3.04 -1.22 -3.32 114.94 115.54 1k1p s ASN 100 Ca 0.00 2.14 -0.06 0.00 0.04 0.00 0.00 52.86 54.98 1k1p s ASN 100 Cb 0.00 -2.61 0.01 0.00 -1.54 0.00 0.00 41.25 37.10 1k1p s ASN 100 CO 0.00 -0.16 0.89 0.59 -3.04 0.00 0.00 177.10 175.39 1k1p n ASN 101 N 1.86 -4.76 -4.29 -4.21 5.03 -1.26 -2.00 115.26 105.62 1k1p n ASN 101 Ca 0.01 -0.43 -0.41 0.00 0.87 0.00 0.00 54.58 54.62 1k1p n ASN 101 Cb 0.46 -4.03 -0.01 0.00 -1.02 0.00 0.00 39.78 35.17 1k1p n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1k1p n ASP 102 N -2.13 4.28 -3.75 6.41 2.03 -1.21 -4.39 116.55 117.79 1k1p n ASP 102 Ca -0.04 -2.86 -0.13 0.00 0.52 0.00 0.00 54.79 52.28 1k1p n ASP 102 Cb 0.56 -1.68 -0.10 0.00 -0.72 0.00 0.00 41.12 39.18 1k1p n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1k1p s ILE 103 N 4.81 0.02 -0.01 5.18 2.07 -1.26 -3.90 121.20 128.11 1k1p s ILE 103 Ca 0.54 -0.14 -0.07 0.00 -1.41 0.00 0.00 60.65 59.56 1k1p s ILE 103 Cb 0.07 -0.55 0.00 0.00 0.13 0.00 0.00 42.46 42.12 1k1p s ILE 103 CO 0.04 -0.08 0.15 -0.32 -1.91 0.00 0.00 174.94 172.82 1k1p s MET 104 N -0.29 0.44 -0.05 3.50 -2.45 -0.11 -1.70 119.30 118.64 1k1p s MET 104 Ca -0.04 -0.29 0.03 0.00 -1.25 0.00 0.00 55.69 54.14 1k1p s MET 104 Cb -0.03 0.19 -0.03 0.00 1.25 0.00 0.00 34.83 36.21 1k1p s MET 104 CO 0.02 -0.10 -0.12 -0.51 1.05 0.00 0.00 175.02 175.36 1k1p s LEU 105 N -1.13 2.87 -0.08 4.11 1.43 -0.10 -0.85 118.68 124.92 1k1p s LEU 105 Ca -0.12 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1k1p s LEU 105 Cb -0.06 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.57 1k1p s LEU 105 CO 0.01 0.34 -0.12 -0.63 0.23 0.00 0.00 176.35 176.18 1k1p s ILE 106 N -0.77 1.23 -0.17 -0.59 1.01 0.34 -0.98 121.20 121.27 1k1p s ILE 106 Ca 0.12 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 1k1p s ILE 106 Cb -0.11 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1k1p s ILE 106 CO 0.01 0.38 0.10 -0.75 0.00 0.00 0.00 174.94 174.68 1k1p s LYS 107 N 0.91 3.85 0.28 2.79 2.20 -0.16 -0.79 119.74 128.82 1k1p s LYS 107 Ca -0.09 -0.26 -0.25 0.00 -0.36 0.00 0.00 55.97 55.01 1k1p s LYS 107 Cb -0.15 -3.25 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 1k1p s LYS 107 CO 0.01 0.44 0.87 -0.51 -0.36 0.00 0.00 175.35 175.80 1k1p s LEU 108 N -0.06 4.38 0.52 5.43 1.43 -0.19 0.12 118.68 130.31 1k1p s LEU 108 Ca 0.08 1.72 0.23 0.00 -1.03 0.00 0.00 54.13 55.14 1k1p s LEU 108 Cb -0.12 -3.82 1.43 0.00 0.03 0.00 0.00 46.19 43.71 1k1p s LEU 108 CO 0.00 -0.00 2.12 0.11 0.23 0.00 0.00 176.35 178.81 1k1p h LYS 109 N 3.39 0.00 -3.36 1.70 1.57 -1.12 -3.42 116.57 115.34 1k1p h LYS 109 Ca -0.47 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.17 1k1p h LYS 109 Cb 1.19 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.29 1k1p h LYS 109 CO 0.65 0.08 -0.44 -1.54 -0.57 0.00 0.00 179.45 177.64 1k1p s SER 110 N -6.49 -0.06 0.31 0.86 1.04 -1.26 -5.01 113.70 103.10 1k1p s SER 110 Ca -0.04 -0.04 -0.29 0.00 0.48 0.00 0.00 55.95 56.06 1k1p s SER 110 Cb 0.15 0.27 -0.11 0.00 0.10 0.00 0.00 66.02 66.43 1k1p s SER 110 CO 0.61 -0.34 1.46 0.00 0.98 0.00 0.00 173.24 175.95 1k1p s ALA 111 N -1.14 3.61 0.50 5.32 0.00 -1.26 -4.88 121.76 123.91 1k1p s ALA 111 Ca -0.12 1.44 -0.18 0.00 0.00 0.00 0.00 51.96 53.11 1k1p s ALA 111 Cb -0.06 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.40 1k1p s ALA 111 CO 0.02 -0.87 0.98 0.00 0.00 0.00 0.00 175.76 175.89 1k1p s ALA 112 N -0.56 3.04 -0.36 0.00 0.00 -0.10 -5.01 121.76 118.77 1k1p s ALA 112 Ca 0.56 0.25 -0.23 0.00 0.00 0.00 0.00 51.96 52.54 1k1p s ALA 112 Cb -0.44 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1k1p s ALA 112 CO 0.52 -0.18 0.78 -1.12 0.00 0.00 0.00 175.76 175.76 1k1p s SER 113 N -2.84 6.56 0.04 0.00 0.01 -1.26 -4.84 113.70 111.38 1k1p s SER 113 Ca 0.60 0.39 -0.26 0.00 1.31 0.00 0.00 55.95 57.98 1k1p s SER 113 Cb -0.10 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 1k1p s SER 113 CO 0.27 -0.71 0.82 -0.76 0.41 0.00 0.00 173.24 173.27 1k1p s LEU 114 N 3.07 4.44 0.00 2.44 1.43 -1.26 -4.78 118.68 124.02 1k1p s LEU 114 Ca 0.31 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 1k1p s LEU 114 Cb -0.13 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1k1p s LEU 114 CO 0.16 -0.05 0.00 -0.46 0.23 0.00 0.00 176.35 176.24 1k1p n ASN 115 N 3.02 0.00 -0.38 2.29 6.94 -0.00 -4.99 115.26 122.15 1k1p n ASN 115 Ca -0.00 -0.66 -0.02 0.00 -0.02 0.00 0.00 54.58 53.88 1k1p n ASN 115 Cb 0.50 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 38.04 1k1p n ASN 115 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1k1p h SER 116 N 0.00 1.14 0.83 0.53 4.64 -2.01 -2.88 113.55 115.79 1k1p h SER 116 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1k1p h SER 116 Cb 0.00 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.81 1k1p h SER 116 CO 0.00 0.81 -0.41 0.54 -0.87 0.00 0.00 176.83 176.90 1k1p n ARG 117 N -4.40 0.14 -3.73 4.77 1.74 -1.26 -4.66 116.66 109.26 1k1p n ARG 117 Ca 0.12 0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.97 1k1p n ARG 117 Cb 0.03 -1.60 -0.16 0.00 -1.02 0.00 0.00 32.46 29.71 1k1p n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1k1p s VAL 118 N -3.08 0.67 0.08 1.55 1.01 -1.09 -4.43 120.40 115.12 1k1p s VAL 118 Ca 0.10 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1k1p s VAL 118 Cb 0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1k1p s VAL 118 CO 0.67 -0.43 -0.03 0.00 0.00 0.00 0.00 175.10 175.31 1k1p s ALA 119 N 1.76 0.74 0.32 5.51 0.00 -1.04 -0.82 121.76 128.22 1k1p s ALA 119 Ca 0.04 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.67 1k1p s ALA 119 Cb -0.17 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1k1p s ALA 119 CO -0.17 -0.33 0.56 -1.54 0.00 0.00 0.00 175.76 174.28 1k1p s SER 120 N -2.98 6.37 -0.07 0.00 1.04 -1.26 -3.01 113.70 113.79 1k1p s SER 120 Ca 0.11 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1k1p s SER 120 Cb 0.07 -2.11 -0.03 0.00 0.10 0.00 0.00 66.02 64.05 1k1p s SER 120 CO -0.07 -0.25 -0.04 -0.51 0.98 0.00 0.00 173.24 173.35 1k1p s ILE 121 N -2.21 3.93 0.43 -1.02 1.10 -0.24 -4.89 121.20 118.31 1k1p s ILE 121 Ca 0.42 -0.43 -0.22 0.00 -0.51 0.00 0.00 60.65 59.92 1k1p s ILE 121 Cb -0.10 -2.63 -0.10 0.00 0.15 0.00 0.00 42.46 39.77 1k1p s ILE 121 CO 0.33 0.58 0.98 -0.44 -2.11 0.00 0.00 174.94 174.28 1k1p s SER 122 N -0.92 6.81 0.46 4.50 0.01 -1.26 -4.57 113.70 118.73 1k1p s SER 122 Ca 0.13 1.80 -0.13 0.00 1.31 0.00 0.00 55.95 59.06 1k1p s SER 122 Cb -0.11 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.49 1k1p s SER 122 CO 0.03 -0.45 0.88 -0.76 0.41 0.00 0.00 173.24 173.34 1k1p s LEU 123 N -3.09 3.72 0.48 2.44 1.43 -1.26 -1.19 118.68 121.21 1k1p s LEU 123 Ca 0.62 1.35 -0.22 0.00 -1.03 0.00 0.00 54.13 54.85 1k1p s LEU 123 Cb -0.13 -4.26 -0.07 0.00 0.03 0.00 0.00 46.19 41.75 1k1p s LEU 123 CO 0.17 -0.50 1.15 -2.84 0.23 0.00 0.00 176.35 174.56 1k1p s PRO 124 N -3.97 3.66 0.04 1.29 0.02 -1.26 -4.77 135.00 130.00 1k1p s PRO 124 Ca 0.55 1.71 0.23 0.00 0.02 0.00 0.00 61.00 63.51 1k1p s PRO 124 Cb -0.10 -2.29 0.12 0.00 0.02 0.00 0.00 34.50 32.25 1k1p s PRO 124 CO 0.32 -0.62 1.10 0.25 -0.33 0.00 0.00 177.00 177.72 1k1p n THR 125 N -0.72 0.13 -3.78 0.99 -2.24 -1.26 -4.94 114.28 102.46 1k1p n THR 125 Ca 0.09 -0.17 -0.05 0.00 -2.27 0.00 0.00 64.05 61.65 1k1p n THR 125 Cb 0.49 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 1k1p n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1k1p s SER 127 N -3.66 -0.21 0.24 3.42 1.04 -1.26 -5.16 113.70 108.11 1k1p s SER 127 Ca 0.06 -0.45 -0.24 0.00 0.48 0.00 0.00 55.95 55.79 1k1p s SER 127 Cb 0.15 0.56 -0.09 0.00 0.10 0.00 0.00 66.02 66.74 1k1p s SER 127 CO 0.79 -1.03 0.83 0.00 0.98 0.00 0.00 173.24 174.81 1k1p s ALA 129 N -1.40 2.87 0.48 0.00 0.00 -1.26 -5.06 121.76 117.39 1k1p s ALA 129 Ca 0.43 0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.62 1k1p s ALA 129 Cb -0.20 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1k1p s ALA 129 CO 0.25 -0.63 0.76 -1.54 0.00 0.00 0.00 175.76 174.60 1k1p s SER 130 N -3.03 6.08 0.60 0.00 1.04 -1.26 -5.02 113.70 112.11 1k1p s SER 130 Ca 0.61 0.74 -0.19 0.00 0.48 0.00 0.00 55.95 57.59 1k1p s SER 130 Cb -0.13 -2.02 -0.03 0.00 0.10 0.00 0.00 66.02 63.94 1k1p s SER 130 CO 0.37 -0.65 1.29 0.00 0.98 0.00 0.00 173.24 175.22 1k1p s ALA 132 N -2.71 2.55 0.00 5.32 0.00 -1.26 -2.49 121.76 123.16 1k1p s ALA 132 Ca 0.48 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1k1p s ALA 132 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1k1p s ALA 132 CO 0.43 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 175.19 1k1p n GLY 133 N 0.75 3.18 3.72 0.00 0.00 0.50 -4.95 105.19 108.40 1k1p n GLY 133 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1k1p n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1p s THR 134 N -2.30 2.84 0.17 2.61 2.01 -1.04 -4.67 115.64 115.26 1k1p s THR 134 Ca 0.00 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.32 1k1p s THR 134 Cb 0.00 -3.40 -0.07 0.00 0.01 0.00 0.00 72.50 69.04 1k1p s THR 134 CO 0.00 0.06 0.96 -1.10 -0.69 0.00 0.00 174.62 173.85 1k1p s GLN 135 N 0.85 4.76 0.16 4.92 -1.52 -1.26 -1.39 119.66 126.18 1k1p s GLN 135 Ca 0.66 1.48 0.04 0.00 -1.95 0.00 0.00 55.36 55.60 1k1p s GLN 135 Cb -0.41 -3.33 -0.05 0.00 -0.22 0.00 0.00 33.01 29.00 1k1p s GLN 135 CO 0.33 0.33 -0.08 0.00 -0.25 0.00 0.00 175.29 175.62 1k1p s LEU 137 N -3.19 2.82 -0.02 0.00 2.96 0.67 -0.78 118.68 121.14 1k1p s LEU 137 Ca 0.19 -0.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.80 1k1p s LEU 137 Cb 0.03 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 1k1p s LEU 137 CO 0.02 0.08 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.31 1k1p s ILE 138 N 0.88 2.70 0.04 6.68 1.01 0.25 -1.30 121.20 131.46 1k1p s ILE 138 Ca -0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 1k1p s ILE 138 Cb -0.15 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 1k1p s ILE 138 CO 0.00 0.54 0.12 -0.94 0.00 0.00 0.00 174.94 174.67 1k1p s SER 139 N -0.82 0.14 0.00 3.58 1.04 -1.24 -0.63 113.70 115.77 1k1p s SER 139 Ca 0.12 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1k1p s SER 139 Cb -0.10 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1k1p s SER 139 CO 0.01 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1k1p n GLY 140 N 0.77 -0.39 0.90 7.32 0.00 -0.42 -4.49 105.19 108.88 1k1p n GLY 140 Ca -0.19 -1.00 0.09 0.00 0.00 0.00 0.00 46.02 44.91 1k1p n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k1p n TRP 141 N -0.21 0.94 -1.41 1.61 8.01 -1.26 -1.60 117.44 123.52 1k1p n TRP 141 Ca 0.00 -0.86 -0.25 0.00 -1.31 0.00 0.00 57.50 55.08 1k1p n TRP 141 Cb 0.00 -0.31 0.19 0.00 -2.01 0.00 0.00 31.31 29.19 1k1p n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1k1p n GLY 142 N -0.46 -2.03 3.67 6.99 0.00 -1.25 -4.38 105.19 107.73 1k1p n GLY 142 Ca 0.21 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 1k1p n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k1p n ASN 143 N -4.12 2.37 -0.62 1.61 5.15 -0.18 -2.97 115.26 116.50 1k1p n ASN 143 Ca 0.14 1.20 0.07 0.00 -0.60 0.00 0.00 54.58 55.39 1k1p n ASN 143 Cb 0.49 -1.43 0.08 0.00 -0.53 0.00 0.00 39.78 38.39 1k1p n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1k1p n THR 144 N 0.34 0.12 -4.39 -0.44 -2.24 -0.56 -0.83 114.28 106.28 1k1p n THR 144 Ca 0.06 -0.56 -0.34 0.00 -2.27 0.00 0.00 64.05 60.94 1k1p n THR 144 Cb 0.35 1.21 -0.11 0.00 -2.10 0.00 0.00 70.33 69.68 1k1p n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1k1p s LYS 145 N -1.20 3.34 0.14 -0.78 -0.14 -1.26 -4.40 119.74 115.43 1k1p s LYS 145 Ca 0.19 -0.47 -0.02 0.00 -1.36 0.00 0.00 55.97 54.31 1k1p s LYS 145 Cb 0.13 -2.86 -0.08 0.00 -1.68 0.00 0.00 37.83 33.34 1k1p s LYS 145 CO 0.19 0.46 1.31 0.66 -0.76 0.00 0.00 175.35 177.22 1k1p h SER 146 N 5.96 0.42 -2.78 2.83 4.64 -1.94 -3.38 113.55 119.31 1k1p h SER 146 Ca -0.41 -0.35 -0.60 0.00 -0.47 0.00 0.00 61.79 59.96 1k1p h SER 146 Cb 1.19 -0.13 -0.40 0.00 -0.31 0.00 0.00 62.40 62.75 1k1p h SER 146 CO 0.59 1.16 -0.81 -0.44 -0.87 0.00 0.00 176.83 176.46 1k1p s SER 147 N -7.03 2.87 0.00 4.97 0.01 -1.26 -4.52 113.70 108.74 1k1p s SER 147 Ca -0.05 -3.16 0.00 0.00 1.31 0.00 0.00 55.95 54.06 1k1p s SER 147 Cb 0.09 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.45 1k1p s SER 147 CO 0.85 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.94 1k1p n GLY 148 N 2.79 -0.18 2.96 3.44 0.00 -1.26 -5.11 105.19 107.84 1k1p n GLY 148 Ca 0.22 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 1k1p n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1p s THR 149 N -2.96 -0.44 -0.27 2.61 2.01 -1.26 -4.72 115.64 110.60 1k1p s THR 149 Ca 0.00 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 1k1p s THR 149 Cb 0.00 -0.57 0.16 0.00 0.01 0.00 0.00 72.50 72.11 1k1p s THR 149 CO 0.00 0.01 0.49 -0.55 -0.69 0.00 0.00 174.62 173.88 1k1p s SER 150 N 2.44 -0.61 -0.19 3.53 0.15 -1.26 -4.99 113.70 112.77 1k1p s SER 150 Ca 0.04 0.51 -0.12 0.00 0.70 0.00 0.00 55.95 57.08 1k1p s SER 150 Cb -0.13 1.66 -0.05 0.00 -1.71 0.00 0.00 66.02 65.79 1k1p s SER 150 CO -0.11 -0.28 0.20 -0.31 1.20 0.00 0.00 173.24 173.94 1k1p s TYR 151 N 2.71 3.43 0.49 3.44 2.02 -1.26 -1.50 117.35 126.67 1k1p s TYR 151 Ca 0.16 0.44 -0.12 0.00 -0.37 0.00 0.00 57.07 57.18 1k1p s TYR 151 Cb -0.15 -2.24 -0.06 0.00 -0.40 0.00 0.00 41.96 39.11 1k1p s TYR 151 CO -0.19 0.26 0.89 -1.25 -1.57 0.00 0.00 175.55 173.68 1k1p s PRO 152 N 0.44 3.76 -0.02 -1.71 0.04 -1.26 -5.01 135.00 131.24 1k1p s PRO 152 Ca 0.11 0.63 0.20 0.00 0.04 0.00 0.00 61.00 61.98 1k1p s PRO 152 Cb -0.12 -2.25 -0.28 0.00 0.04 0.00 0.00 34.50 31.89 1k1p s PRO 152 CO 0.01 -0.24 0.56 -0.25 0.04 0.00 0.00 177.00 177.12 1k1p n ASP 153 N -1.81 0.59 -4.73 6.66 8.00 -1.26 -4.89 116.55 119.11 1k1p n ASP 153 Ca 0.04 -0.30 -0.30 0.00 0.71 0.00 0.00 54.79 54.94 1k1p n ASP 153 Cb 0.54 1.62 -0.07 0.00 -0.02 0.00 0.00 41.12 43.19 1k1p n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1k1p s VAL 154 N -3.21 4.27 0.24 2.53 -7.23 -1.26 -0.84 120.40 114.90 1k1p s VAL 154 Ca -0.03 -0.93 -0.31 0.00 -1.81 0.00 0.00 61.98 58.90 1k1p s VAL 154 Cb 0.13 -3.06 -0.12 0.00 0.56 0.00 0.00 36.38 33.89 1k1p s VAL 154 CO 0.82 0.08 1.68 -0.22 -0.31 0.00 0.00 175.10 177.16 1k1p s LEU 155 N -2.46 4.36 0.07 1.32 2.96 -1.12 -4.84 118.68 118.96 1k1p s LEU 155 Ca 0.28 2.92 0.04 0.00 -0.22 0.00 0.00 54.13 57.15 1k1p s LEU 155 Cb -0.12 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1k1p s LEU 155 CO 0.20 -0.96 0.00 -0.54 -1.32 0.00 0.00 176.35 173.73 1k1p s LYS 156 N 0.54 2.60 0.16 1.98 -0.14 -0.63 -2.16 119.74 122.10 1k1p s LYS 156 Ca 0.71 -0.79 0.08 0.00 -1.36 0.00 0.00 55.97 54.61 1k1p s LYS 156 Cb -0.49 -2.57 -0.04 0.00 -1.68 0.00 0.00 37.83 33.04 1k1p s LYS 156 CO 0.38 0.56 -0.17 0.00 -0.76 0.00 0.00 175.35 175.37 1k1p s LEU 158 N -2.74 -0.18 -0.18 0.00 2.96 0.20 -0.82 118.68 117.92 1k1p s LEU 158 Ca 0.16 0.99 -0.12 0.00 -0.22 0.00 0.00 54.13 54.94 1k1p s LEU 158 Cb -0.05 1.54 -0.05 0.00 0.50 0.00 0.00 46.19 48.14 1k1p s LEU 158 CO 0.06 -0.20 0.23 -0.54 -1.32 0.00 0.00 176.35 174.58 1k1p s LYS 159 N 1.26 4.23 -0.08 1.98 1.02 -1.26 -0.58 119.74 126.32 1k1p s LYS 159 Ca -0.08 -0.02 -0.13 0.00 0.02 0.00 0.00 55.97 55.76 1k1p s LYS 159 Cb -0.07 -3.42 0.03 0.00 -0.52 0.00 0.00 37.83 33.84 1k1p s LYS 159 CO -0.12 0.26 0.32 0.00 -0.92 0.00 0.00 175.35 174.89 1k1p s ALA 160 N 0.43 -0.79 0.34 5.17 0.00 0.04 -4.95 121.76 122.00 1k1p s ALA 160 Ca 0.13 0.67 -0.07 0.00 0.00 0.00 0.00 51.96 52.69 1k1p s ALA 160 Cb -0.12 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 1k1p s ALA 160 CO 0.02 -0.20 0.65 -1.25 0.00 0.00 0.00 175.76 174.97 1k1p s PRO 161 N -0.46 3.67 -0.01 0.00 0.04 -1.26 -0.44 135.00 136.54 1k1p s PRO 161 Ca -0.06 0.17 -0.30 0.00 0.04 0.00 0.00 61.00 60.85 1k1p s PRO 161 Cb -0.04 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 1k1p s PRO 161 CO 0.02 0.10 1.05 0.42 0.04 0.00 0.00 177.00 178.62 1k1p s ILE 162 N -2.24 4.64 0.48 0.56 1.01 -0.49 -1.72 121.20 123.45 1k1p s ILE 162 Ca 0.47 1.90 -0.05 0.00 0.00 0.00 0.00 60.65 62.97 1k1p s ILE 162 Cb -0.10 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 1k1p s ILE 162 CO 0.32 0.11 0.77 -0.76 0.00 0.00 0.00 174.94 175.38 1k1p s LEU 163 N 1.29 3.62 0.64 2.97 1.43 -0.06 -0.37 118.68 128.21 1k1p s LEU 163 Ca 0.53 0.84 -0.17 0.00 -1.03 0.00 0.00 54.13 54.30 1k1p s LEU 163 Cb -0.22 -3.77 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 1k1p s LEU 163 CO 0.26 -0.61 1.16 -0.94 0.23 0.00 0.00 176.35 176.44 1k1p s SER 164 N -4.13 4.99 0.43 2.29 1.04 -1.26 -4.63 113.70 112.44 1k1p s SER 164 Ca 0.47 2.20 0.09 0.00 0.48 0.00 0.00 55.95 59.20 1k1p s SER 164 Cb -0.10 -2.58 0.95 0.00 0.10 0.00 0.00 66.02 64.40 1k1p s SER 164 CO 0.44 -1.72 2.08 0.44 0.98 0.00 0.00 173.24 175.46 1k1p h ASP 165 N 0.32 0.37 -0.22 7.02 3.45 -1.97 -2.17 116.42 123.22 1k1p h ASP 165 Ca -0.48 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 56.95 1k1p h ASP 165 Cb 1.27 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.94 1k1p h ASP 165 CO 0.54 0.26 0.08 0.77 -1.57 0.00 0.00 179.24 179.32 1k1p h SER 166 N 0.43 0.32 -0.63 6.45 4.64 -1.98 0.58 113.55 123.36 1k1p h SER 166 Ca 0.13 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1k1p h SER 166 Cb -0.02 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 1k1p h SER 166 CO -0.03 0.42 0.41 0.28 -0.87 0.00 0.00 176.83 177.04 1k1p h SER 167 N 0.19 0.73 0.17 4.97 0.02 -1.84 0.11 113.55 117.90 1k1p h SER 167 Ca 0.07 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1k1p h SER 167 Cb 0.21 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1k1p h SER 167 CO -0.00 0.54 -0.08 0.00 -1.14 0.00 0.00 176.83 176.15 1k1p h LYS 169 N -0.26 0.41 -0.30 0.00 1.57 -0.65 -2.49 116.57 114.84 1k1p h LYS 169 Ca -0.02 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 1k1p h LYS 169 Cb 0.20 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1k1p h LYS 169 CO 0.04 0.66 -0.05 0.77 -0.57 0.00 0.00 179.45 180.30 1k1p h SER 170 N 0.36 0.45 0.22 0.86 0.02 -0.71 -2.20 113.55 112.54 1k1p h SER 170 Ca 0.05 -0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 60.72 1k1p h SER 170 Cb 0.68 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1k1p h SER 170 CO 0.05 0.55 -0.73 0.00 -1.14 0.00 0.00 176.83 175.56 1k1p h ALA 171 N 1.51 0.58 -2.42 3.77 0.00 -1.14 -3.38 119.26 118.18 1k1p h ALA 171 Ca 0.09 -0.60 -0.59 0.00 0.00 0.00 0.00 54.91 53.81 1k1p h ALA 171 Cb 0.37 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.70 1k1p h ALA 171 CO 0.02 0.75 -0.84 0.66 0.00 0.00 0.00 179.25 179.84 1k1p n TYR 172 N -3.85 1.05 -1.67 0.00 4.02 -0.97 -4.99 117.16 110.75 1k1p n TYR 172 Ca -0.04 -3.77 -0.46 0.00 -0.01 0.00 0.00 57.90 53.62 1k1p n TYR 172 Cb 0.71 -0.25 -0.04 0.00 -0.02 0.00 0.00 39.34 39.74 1k1p n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1k1p n PRO 173 N 1.93 2.19 -1.21 -0.72 -0.02 -0.86 -2.17 135.00 134.14 1k1p n PRO 173 Ca 0.25 0.80 -0.07 0.00 -2.02 0.00 0.00 63.50 62.46 1k1p n PRO 173 Cb 0.45 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 1k1p n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k1p n GLY 174 N 3.72 0.84 0.00 -1.23 0.00 -1.26 -4.84 105.19 102.42 1k1p n GLY 174 Ca 0.18 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.00 1k1p n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k1p n GLN 175 N -1.61 5.55 -3.53 1.61 6.02 -0.92 -5.01 117.38 119.48 1k1p n GLN 175 Ca -0.07 -0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.55 1k1p n GLN 175 Cb 0.38 -0.63 -0.07 0.00 1.02 0.00 0.00 30.24 30.94 1k1p n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1k1p s ILE 176 N -1.27 5.30 0.48 5.09 -1.09 -1.25 -5.03 121.20 123.44 1k1p s ILE 176 Ca 0.00 0.53 0.06 0.00 -2.23 0.00 0.00 60.65 59.01 1k1p s ILE 176 Cb 0.01 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1k1p s ILE 176 CO 0.05 0.37 0.25 0.42 -1.23 0.00 0.00 174.94 174.80 1k1p s THR 177 N 0.59 1.88 -1.23 2.92 -4.23 -1.26 -4.99 115.64 109.32 1k1p s THR 177 Ca 0.16 -1.64 0.12 0.00 -1.18 0.00 0.00 61.69 59.15 1k1p s THR 177 Cb -0.13 -2.52 0.15 0.00 1.34 0.00 0.00 72.50 71.34 1k1p s THR 177 CO 0.04 0.00 1.32 -1.54 -0.54 0.00 0.00 174.62 173.90 1k1p n SER 178 N -1.47 0.00 -1.39 3.99 3.41 -1.26 -1.82 113.62 115.07 1k1p n SER 178 Ca -0.04 0.30 0.09 0.00 -0.26 0.00 0.00 58.87 58.96 1k1p n SER 178 Cb 0.65 -0.39 0.31 0.00 -0.26 0.00 0.00 64.21 64.52 1k1p n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k1p n ASN 179 N -1.39 4.08 -4.16 4.04 3.02 -1.26 -4.92 115.26 114.68 1k1p n ASN 179 Ca 0.04 -2.27 -0.12 0.00 -0.03 0.00 0.00 54.58 52.20 1k1p n ASN 179 Cb 0.11 -0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 38.66 1k1p n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1k1p s MET 180 N -1.60 0.80 0.01 3.52 -1.94 -0.76 -1.12 119.30 118.22 1k1p s MET 180 Ca 0.45 -1.22 -0.16 0.00 -1.71 0.00 0.00 55.69 53.05 1k1p s MET 180 Cb 0.28 -0.30 0.03 0.00 2.01 0.00 0.00 34.83 36.84 1k1p s MET 180 CO 0.25 0.02 0.36 -0.59 -0.01 0.00 0.00 175.02 175.04 1k1p s PHE 181 N -3.04 -0.21 0.03 -0.03 -0.12 -0.62 -4.79 117.98 109.20 1k1p s PHE 181 Ca 0.08 0.23 -0.00 0.00 -0.05 0.00 0.00 56.93 57.19 1k1p s PHE 181 Cb 0.01 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 1k1p s PHE 181 CO -0.03 -0.48 0.16 0.00 -0.05 0.00 0.00 175.22 174.83 1k1p s ALA 183 N -1.40 -0.68 0.00 0.00 0.00 -0.85 -0.88 121.76 117.96 1k1p s ALA 183 Ca 0.30 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1k1p s ALA 183 Cb -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1k1p s ALA 183 CO 0.22 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1k1p n GLY 184 N 2.06 0.47 2.89 0.00 0.00 -0.70 -2.87 105.19 107.04 1k1p n GLY 184 Ca -0.18 -1.71 -0.22 0.00 0.00 0.00 0.00 46.02 43.91 1k1p n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k1p s TYR 184 N -2.36 0.95 -0.02 1.61 1.51 -1.26 -4.32 117.35 113.46 1k1p s TYR 184 Ca 0.00 -0.33 0.30 0.00 -1.01 0.00 0.00 57.07 56.03 1k1p s TYR 184 Cb 0.00 -0.84 1.45 0.00 -0.11 0.00 0.00 41.96 42.45 1k1p s TYR 184 CO 0.00 -0.28 1.91 -0.07 -1.11 0.00 0.00 175.55 176.00 1k1p h LEU 185 N 7.55 0.00 -0.03 -1.29 3.38 -1.95 -1.30 115.31 121.68 1k1p h LEU 185 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1k1p h LEU 185 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1k1p h LEU 185 CO 0.42 0.00 -0.09 -1.84 0.09 0.00 0.00 178.44 177.01 1k1p n GLU 186 N -2.64 0.14 0.00 1.13 0.00 -1.26 -0.24 120.64 117.77 1k1p n GLU 186 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.13 1k1p n GLU 186 Cb 0.16 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.10 1k1p n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1k1p n GLY 187 N 1.44 -1.93 2.52 -1.84 0.00 -0.49 -4.50 105.19 100.38 1k1p n GLY 187 Ca 0.09 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1k1p n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1p n GLY 188 N 0.00 1.98 3.03 -0.02 0.00 -0.69 -4.86 105.19 104.63 1k1p n GLY 188 Ca 0.00 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 1k1p n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1p s LYS 188 N 0.00 1.72 -0.10 1.61 1.02 -1.26 -3.64 119.74 119.10 1k1p s LYS 188 Ca 0.00 -0.42 -0.33 0.00 0.02 0.00 0.00 55.97 55.24 1k1p s LYS 188 Cb 0.00 -1.42 0.13 0.00 -0.52 0.00 0.00 37.83 36.02 1k1p s LYS 188 CO 0.00 0.03 1.30 0.34 -0.92 0.00 0.00 175.35 176.10 1k1p s ASP 189 N 0.65 -0.07 0.75 2.83 3.68 -0.96 -4.22 116.67 119.34 1k1p s ASP 189 Ca -0.15 -0.07 -0.08 0.00 2.13 0.00 0.00 52.55 54.38 1k1p s ASP 189 Cb -0.16 0.12 0.08 0.00 -1.45 0.00 0.00 42.92 41.52 1k1p s ASP 189 CO 0.04 -0.22 1.08 -0.94 0.13 0.00 0.00 175.17 175.26 1k1p s SER 190 N -2.69 4.54 0.19 -0.34 1.04 -1.26 -1.08 113.70 114.09 1k1p s SER 190 Ca 0.13 0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.96 1k1p s SER 190 Cb 0.03 -0.97 0.02 0.00 0.10 0.00 0.00 66.02 65.20 1k1p s SER 190 CO -0.04 -1.80 0.32 0.00 0.98 0.00 0.00 173.24 172.70 1k1p s GLN 192 N -2.25 4.15 0.00 0.00 -0.21 -1.26 -1.83 119.66 118.26 1k1p s GLN 192 Ca 0.12 2.53 0.00 0.00 0.02 0.00 0.00 55.36 58.03 1k1p s GLN 192 Cb -0.01 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 30.94 1k1p s GLN 192 CO 0.09 -0.63 0.00 0.41 -2.12 0.00 0.00 175.29 173.04 1k1p n GLY 193 N 2.69 2.61 0.00 3.09 0.00 -1.26 -1.01 105.19 111.31 1k1p n GLY 193 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1k1p n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k1p n ASP 194 N 0.00 0.50 -4.47 1.61 10.43 -0.76 -3.77 116.55 120.10 1k1p n ASP 194 Ca 0.00 -0.21 -0.52 0.00 2.57 0.00 0.00 54.79 56.63 1k1p n ASP 194 Cb 0.00 0.23 -0.05 0.00 1.84 0.00 0.00 41.12 43.15 1k1p n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1k1p n SER 195 N -1.54 -0.36 0.00 -2.24 7.64 -1.26 -1.25 113.62 114.61 1k1p n SER 195 Ca 0.05 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1k1p n SER 195 Cb 0.34 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1k1p n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k1p n GLY 196 N 1.80 2.72 3.71 0.23 0.00 -0.44 0.37 105.19 113.58 1k1p n GLY 196 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1k1p n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1p s GLY 197 N -2.00 1.61 0.48 -0.02 0.00 -0.38 -3.23 107.32 103.78 1k1p s GLY 197 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 44.72 44.47 1k1p s GLY 197 CO 0.00 0.43 0.96 2.56 0.00 0.00 0.00 173.10 177.05 1k1p s PRO 198 N -4.92 4.03 -0.29 2.90 0.04 -1.26 -1.24 135.00 134.26 1k1p s PRO 198 Ca 0.64 0.98 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 1k1p s PRO 198 Cb -0.18 -2.16 0.09 0.00 0.04 0.00 0.00 34.50 32.29 1k1p s PRO 198 CO 0.57 -0.18 0.08 0.08 0.04 0.00 0.00 177.00 177.59 1k1p s VAL 199 N -2.47 0.83 -0.18 -0.36 1.01 -0.79 -3.67 120.40 114.76 1k1p s VAL 199 Ca 0.59 -1.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1k1p s VAL 199 Cb -0.10 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1k1p s VAL 199 CO 0.26 -0.58 0.03 -0.69 0.00 0.00 0.00 175.10 174.11 1k1p s VAL 200 N 1.66 4.43 -0.04 2.92 1.01 -0.42 -1.08 120.40 128.87 1k1p s VAL 200 Ca 0.07 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1k1p s VAL 200 Cb -0.17 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1k1p s VAL 200 CO -0.22 0.46 -0.07 0.00 0.00 0.00 0.00 175.10 175.27 1k1p n SER 202 N 3.87 -4.85 -0.05 0.00 7.64 -1.26 -1.42 113.62 117.55 1k1p n SER 202 Ca -0.24 -0.44 -0.01 0.00 1.01 0.00 0.00 58.87 59.20 1k1p n SER 202 Cb 0.52 -3.94 -0.00 0.00 -1.01 0.00 0.00 64.21 59.78 1k1p n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k1p n GLY 203 N -1.43 0.42 3.29 0.23 0.00 -1.26 -5.02 105.19 101.43 1k1p n GLY 203 Ca -0.04 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1k1p n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1p s LYS 204 N -0.72 1.18 -0.69 1.61 -0.14 -0.51 -4.33 119.74 116.14 1k1p s LYS 204 Ca 0.00 -1.16 -0.27 0.00 -1.36 0.00 0.00 55.97 53.18 1k1p s LYS 204 Cb 0.00 -1.46 0.03 0.00 -1.68 0.00 0.00 37.83 34.72 1k1p s LYS 204 CO 0.00 0.34 1.27 -1.17 -0.76 0.00 0.00 175.35 175.04 1k1p s LEU 209 N -1.85 3.24 -0.03 3.17 2.96 -0.33 -1.49 118.68 124.34 1k1p s LEU 209 Ca 0.07 -0.28 0.15 0.00 -0.22 0.00 0.00 54.13 53.86 1k1p s LEU 209 Cb -0.10 -2.72 -0.21 0.00 0.50 0.00 0.00 46.19 43.66 1k1p s LEU 209 CO 0.04 -1.76 0.61 0.00 -1.32 0.00 0.00 176.35 173.92 1k1p n GLN 210 N 9.13 0.64 -4.08 1.98 1.13 -0.24 -4.12 117.38 121.82 1k1p n GLN 210 Ca 0.05 0.20 -0.12 0.00 -1.94 0.00 0.00 57.00 55.19 1k1p n GLN 210 Cb 0.49 -1.74 -0.06 0.00 0.11 0.00 0.00 30.24 29.04 1k1p n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1k1p s GLY 211 N -5.04 1.11 -0.05 1.08 0.00 -0.87 -2.16 107.32 101.38 1k1p s GLY 211 Ca -0.05 -1.31 0.02 0.00 0.00 0.00 0.00 44.72 43.38 1k1p s GLY 211 CO 0.82 -0.94 -0.08 -0.42 0.00 0.00 0.00 173.10 172.48 1k1p s ILE 212 N -3.67 0.83 -0.15 0.90 1.01 -1.11 -1.89 121.20 117.11 1k1p s ILE 212 Ca 0.29 -0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 1k1p s ILE 212 Cb 0.01 -0.79 -0.07 0.00 0.01 0.00 0.00 42.46 41.63 1k1p s ILE 212 CO 0.14 0.28 2.15 0.52 0.00 0.00 0.00 174.94 178.03 1k1p n VAL 213 N 3.86 0.46 -0.00 2.92 0.31 -0.37 -1.71 118.33 123.80 1k1p n VAL 213 Ca -0.24 -0.35 -0.01 0.00 -0.01 0.00 0.00 64.34 63.73 1k1p n VAL 213 Cb 0.51 -2.44 -0.00 0.00 -0.91 0.00 0.00 33.84 31.01 1k1p n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1k1p n SER 214 N 10.32 0.33 -1.25 4.52 2.88 -1.04 -1.32 113.62 128.07 1k1p n SER 214 Ca 0.28 0.05 -0.02 0.00 -1.33 0.00 0.00 58.87 57.85 1k1p n SER 214 Cb 0.42 -0.28 -0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1k1p n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1k1p n TRP 215 N -2.82 -0.79 -3.72 0.66 4.27 -0.89 -4.94 117.44 109.21 1k1p n TRP 215 Ca -0.01 -0.28 0.00 0.00 -3.89 0.00 0.00 57.50 53.32 1k1p n TRP 215 Cb 0.05 0.09 0.00 0.00 -1.36 0.00 0.00 31.31 30.09 1k1p n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1k1p n GLY 216 N -0.07 -1.20 3.05 -1.67 0.00 -1.26 -0.79 105.19 103.25 1k1p n GLY 216 Ca -0.00 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 1k1p n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k1p s SER 217 N -4.00 4.41 0.84 1.61 0.15 -1.26 -5.03 113.70 110.43 1k1p s SER 217 Ca 0.00 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.21 1k1p s SER 217 Cb 0.00 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 1k1p s SER 217 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1k1p n GLY 219 N 4.44 0.93 3.09 9.45 0.00 -1.26 -4.63 105.19 117.21 1k1p n GLY 219 Ca -0.12 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 1k1p n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1p n ALA 221 N 3.64 -0.61 -2.18 0.00 0.00 -1.26 -4.66 120.51 115.44 1k1p n ALA 221 Ca -0.19 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.08 1k1p n ALA 221 Cb 0.55 -1.87 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 1k1p n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1k1p s GLN 221 N -4.73 4.04 0.31 0.00 -1.52 -1.26 -1.71 119.66 114.79 1k1p s GLN 221 Ca 0.00 0.66 -0.29 0.00 -1.95 0.00 0.00 55.36 53.77 1k1p s GLN 221 Cb 0.00 -2.61 -0.12 0.00 -0.22 0.00 0.00 33.01 30.06 1k1p s GLN 221 CO 0.00 0.26 1.53 1.17 -0.25 0.00 0.00 175.29 178.00 1k1p n LYS 222 N 0.03 2.59 -1.80 2.91 4.81 -1.26 -2.25 118.16 123.19 1k1p n LYS 222 Ca 0.01 0.92 -0.20 0.00 -0.87 0.00 0.00 58.31 58.17 1k1p n LYS 222 Cb 0.52 -2.66 -0.07 0.00 0.02 0.00 0.00 35.03 32.85 1k1p n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1k1p n ASN 223 N 1.62 -5.42 -3.33 3.14 3.02 0.66 -4.90 115.26 110.06 1k1p n ASN 223 Ca 0.07 0.37 -0.25 0.00 -0.03 0.00 0.00 54.58 54.73 1k1p n ASN 223 Cb 0.37 -4.72 -0.08 0.00 -0.61 0.00 0.00 39.78 34.73 1k1p n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k1p n LYS 224 N -2.51 1.14 -1.40 3.52 4.76 -0.96 -4.77 118.16 117.94 1k1p n LYS 224 Ca -0.21 -3.65 -0.30 0.00 -2.87 0.00 0.00 58.31 51.28 1k1p n LYS 224 Cb 0.67 -1.61 0.10 0.00 -1.84 0.00 0.00 35.03 32.34 1k1p n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1k1p s PRO 225 N -1.31 2.02 0.40 1.97 0.04 -1.26 -4.30 135.00 132.56 1k1p s PRO 225 Ca 0.35 0.84 -0.24 0.00 0.04 0.00 0.00 61.00 61.99 1k1p s PRO 225 Cb 0.13 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.69 1k1p s PRO 225 CO -0.10 -1.71 1.09 0.20 0.04 0.00 0.00 177.00 176.51 1k1p s GLY 226 N -3.66 2.78 -0.10 0.56 0.00 -1.14 -4.65 107.32 101.11 1k1p s GLY 226 Ca 0.61 0.79 -0.01 0.00 0.00 0.00 0.00 44.72 46.11 1k1p s GLY 226 CO 0.55 1.25 -0.05 0.14 0.00 0.00 0.00 173.10 175.00 1k1p s VAL 227 N -1.57 3.83 0.07 1.40 1.01 0.03 -2.01 120.40 123.16 1k1p s VAL 227 Ca 0.58 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.21 1k1p s VAL 227 Cb -0.25 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1k1p s VAL 227 CO 0.31 0.56 -0.16 -0.31 0.00 0.00 0.00 175.10 175.50 1k1p s TYR 228 N -0.37 1.41 0.12 5.22 2.02 0.30 -2.10 117.35 123.96 1k1p s TYR 228 Ca 0.06 -0.43 -0.31 0.00 -0.37 0.00 0.00 57.07 56.02 1k1p s TYR 228 Cb -0.12 -0.79 -0.08 0.00 -0.40 0.00 0.00 41.96 40.57 1k1p s TYR 228 CO 0.02 0.10 1.32 0.99 -1.57 0.00 0.00 175.55 176.41 1k1p s THR 229 N -1.16 3.46 -0.91 -0.71 2.01 -0.70 -1.60 115.64 116.04 1k1p s THR 229 Ca 0.01 1.08 -0.21 0.00 0.31 0.00 0.00 61.69 62.88 1k1p s THR 229 Cb -0.10 -3.69 0.09 0.00 0.01 0.00 0.00 72.50 68.81 1k1p s THR 229 CO 0.03 0.10 1.23 -0.75 -0.69 0.00 0.00 174.62 174.54 1k1p s LYS 230 N 0.83 3.49 0.37 4.92 2.20 -0.27 -2.76 119.74 128.51 1k1p s LYS 230 Ca 0.61 -1.27 0.07 0.00 -0.36 0.00 0.00 55.97 55.02 1k1p s LYS 230 Cb -0.35 -4.91 0.78 0.00 -1.51 0.00 0.00 37.83 31.84 1k1p s LYS 230 CO 0.32 -1.96 1.94 0.28 -0.36 0.00 0.00 175.35 175.56 1k1p h VAL 231 N 6.21 0.97 -0.49 4.02 2.07 -1.74 -2.66 116.25 124.63 1k1p h VAL 231 Ca 0.07 -0.25 0.14 0.00 0.82 0.00 0.00 66.70 67.49 1k1p h VAL 231 Cb 1.03 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1k1p h VAL 231 CO 1.25 0.13 0.48 0.00 0.02 0.00 0.00 177.57 179.45 1k1p n ASN 233 N -3.81 0.44 -0.47 0.00 3.02 -1.00 -3.75 115.26 109.69 1k1p n ASN 233 Ca 0.09 0.52 0.05 0.00 -0.03 0.00 0.00 54.58 55.21 1k1p n ASN 233 Cb 0.68 -0.62 0.08 0.00 -0.61 0.00 0.00 39.78 39.30 1k1p n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1k1p n TYR 234 N -1.90 0.15 -0.22 3.10 4.01 0.86 -4.71 117.16 118.44 1k1p n TYR 234 Ca 0.06 -0.18 0.03 0.00 -0.16 0.00 0.00 57.90 57.65 1k1p n TYR 234 Cb 0.39 -0.01 0.14 0.00 -0.31 0.00 0.00 39.34 39.55 1k1p n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1k1p h VAL 235 N 1.94 0.66 -0.29 -0.72 2.07 -1.61 0.16 116.25 118.46 1k1p h VAL 235 Ca 0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1k1p h VAL 235 Cb 0.52 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1k1p h VAL 235 CO 0.00 0.07 0.16 0.28 0.02 0.00 0.00 177.57 178.10 1k1p h SER 236 N 0.36 0.37 -0.33 0.57 0.02 -1.87 -0.69 113.55 111.97 1k1p h SER 236 Ca 0.36 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1k1p h SER 236 Cb 0.52 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1k1p h SER 236 CO -0.39 0.34 0.20 -0.25 -1.14 0.00 0.00 176.83 175.59 1k1p h TRP 237 N 0.36 0.43 0.18 3.45 7.01 -1.72 -1.64 115.95 124.02 1k1p h TRP 237 Ca 0.10 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.11 1k1p h TRP 237 Cb 0.06 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 26.95 1k1p h TRP 237 CO -0.03 0.32 -0.24 0.82 -2.79 0.00 0.00 178.44 176.52 1k1p h ILE 238 N 0.42 0.48 -0.53 2.65 2.04 -0.74 -0.68 117.51 121.15 1k1p h ILE 238 Ca 0.12 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.01 1k1p h ILE 238 Cb 0.01 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1k1p h ILE 238 CO -0.02 0.00 0.30 0.11 0.00 0.00 0.00 178.15 178.54 1k1p h LYS 239 N -0.48 0.58 -0.35 2.37 1.57 -1.02 -1.50 116.57 117.75 1k1p h LYS 239 Ca 0.01 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 1k1p h LYS 239 Cb 0.47 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1k1p h LYS 239 CO -0.10 0.39 -0.38 1.96 -0.57 0.00 0.00 179.45 180.75 1k1p h GLN 240 N 0.60 0.84 -0.13 3.15 4.20 -1.22 -2.60 115.11 119.95 1k1p h GLN 240 Ca 0.22 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 1k1p h GLN 240 Cb 0.05 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1k1p h GLN 240 CO -0.11 1.08 -0.00 1.15 -0.67 0.00 0.00 178.83 180.27 1k1p h THR 241 N 0.69 1.26 0.00 -0.54 2.02 -0.91 -2.74 112.91 112.69 1k1p h THR 241 Ca 0.06 -0.85 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 1k1p h THR 241 Cb 0.95 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 1k1p h THR 241 CO 0.09 0.25 -0.30 0.16 0.37 0.00 0.00 175.52 176.09 1k1p h ILE 242 N -0.04 1.02 0.00 3.11 3.07 -1.32 -2.19 117.51 121.15 1k1p h ILE 242 Ca 0.04 -1.09 -0.00 0.00 1.55 0.00 0.00 64.86 65.35 1k1p h ILE 242 Cb 0.38 1.62 -0.00 0.00 -0.27 0.00 0.00 36.82 38.55 1k1p h ILE 242 CO 0.01 0.29 -0.02 0.00 -1.05 0.00 0.00 178.15 177.38 1k1p h ALA 243 N 1.70 1.00 -0.39 0.16 0.00 -1.38 -3.17 119.26 117.17 1k1p h ALA 243 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k1p h ALA 243 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1k1p h ALA 243 CO 0.04 0.03 0.00 0.43 0.00 0.00 0.00 179.25 179.74 1k1p n SER 244 N -3.11 3.28 0.00 0.00 7.64 -0.85 -5.10 113.62 115.48 1k1p n SER 244 Ca 0.02 -2.18 0.00 0.00 1.01 0.00 0.00 58.87 57.72 1k1p n SER 244 Cb 0.40 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1k1p n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62