#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k56 s ILE 22 N 0.00 3.47 0.32 0.44 2.07 -1.26 -3.30 121.20 122.94 1k56 s ILE 22 Ca 0.00 1.03 0.09 0.00 -1.41 0.00 0.00 60.65 60.35 1k56 s ILE 22 Cb 0.00 -3.66 -0.06 0.00 0.13 0.00 0.00 42.46 38.87 1k56 s ILE 22 CO 0.00 0.06 -0.09 0.28 -1.91 0.00 0.00 174.94 173.29 1k56 s THR 23 N 1.35 2.05 -0.20 4.00 -1.32 -0.44 -4.98 115.64 116.11 1k56 s THR 23 Ca 0.64 -2.19 -0.06 0.00 -1.21 0.00 0.00 61.69 58.87 1k56 s THR 23 Cb -0.35 -2.57 -0.03 0.00 -1.51 0.00 0.00 72.50 68.04 1k56 s THR 23 CO 0.29 -0.24 0.02 -0.70 -2.21 0.00 0.00 174.62 171.78 1k56 s GLU 24 N -3.64 3.70 -0.43 7.08 2.12 -1.26 -1.23 118.70 125.03 1k56 s GLU 24 Ca 0.31 -0.48 -0.04 0.00 0.36 0.00 0.00 54.97 55.12 1k56 s GLU 24 Cb 0.03 -3.13 0.11 0.00 0.26 0.00 0.00 34.13 31.40 1k56 s GLU 24 CO 0.15 0.05 0.25 1.21 -0.54 0.00 0.00 175.26 176.38 1k56 s ASN 25 N 0.92 5.37 0.24 -1.70 3.84 0.48 -4.91 114.94 119.17 1k56 s ASN 25 Ca 0.02 -2.03 0.26 0.00 0.21 0.00 0.00 52.86 51.32 1k56 s ASN 25 Cb -0.14 -1.88 0.84 0.00 -0.55 0.00 0.00 41.25 39.52 1k56 s ASN 25 CO 0.02 -0.58 1.76 0.71 -2.79 0.00 0.00 177.10 176.22 1k56 h THR 26 N 6.28 0.00 0.00 -5.21 1.35 -1.83 -2.96 112.91 110.54 1k56 h THR 26 Ca -0.15 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.25 1k56 h THR 26 Cb 1.05 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1k56 h THR 26 CO 0.74 0.00 -0.05 0.77 -0.25 0.00 0.00 175.52 176.72 1k56 h SER 27 N 0.00 0.00 0.51 5.36 4.64 -1.94 -2.24 113.55 119.88 1k56 h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k56 h SER 27 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1k56 h SER 27 CO 0.00 0.05 0.00 -0.50 -0.87 0.00 0.00 176.83 175.51 1k56 h TRP 28 N 0.00 0.00 0.00 4.77 6.55 -1.91 -3.05 115.95 122.31 1k56 h TRP 28 Ca -0.00 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 1k56 h TRP 28 Cb 0.11 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.41 1k56 h TRP 28 CO 0.00 0.00 -0.01 -0.91 -1.05 0.00 0.00 178.44 176.47 1k56 h ASN 29 N 0.00 0.00 0.41 -3.49 2.35 -1.62 -2.22 115.58 111.01 1k56 h ASN 29 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1k56 h ASN 29 Cb 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 1k56 h ASN 29 CO 0.00 0.01 -0.15 0.11 -1.65 0.00 0.00 177.43 175.75 1k56 h LYS 30 N 0.00 0.00 0.00 0.81 6.56 -1.75 -1.19 116.57 121.00 1k56 h LYS 30 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1k56 h LYS 30 Cb 0.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1k56 h LYS 30 CO 0.00 0.15 0.00 0.93 -2.06 0.00 0.00 179.45 178.47 1k56 h GLU 31 N 0.00 0.00 0.00 3.15 4.39 -1.64 -2.92 114.58 117.56 1k56 h GLU 31 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1k56 h GLU 31 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1k56 h GLU 31 CO 0.02 0.00 -0.89 1.19 -1.16 0.00 0.00 179.01 178.17 1k56 n PHE 32 N -2.53 0.13 -0.01 4.33 3.01 -0.45 -4.60 117.46 117.34 1k56 n PHE 32 Ca 0.03 0.04 -0.18 0.00 1.01 0.00 0.00 57.45 58.35 1k56 n PHE 32 Cb 0.32 -0.29 -0.09 0.00 -0.01 0.00 0.00 39.48 39.41 1k56 n PHE 32 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1k56 h SER 33 N 0.00 0.79 -0.81 4.37 4.64 -1.49 -0.47 113.55 120.58 1k56 h SER 33 Ca 0.00 -0.68 0.04 0.00 -0.47 0.00 0.00 61.79 60.68 1k56 h SER 33 Cb 0.62 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 1k56 h SER 33 CO 0.00 1.35 0.53 0.00 -0.87 0.00 0.00 176.83 177.84 1k56 h ALA 34 N 0.46 1.52 -0.49 5.18 0.00 -1.81 -1.86 119.26 122.26 1k56 h ALA 34 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1k56 h ALA 34 Cb 1.39 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1k56 h ALA 34 CO 0.15 0.39 0.00 0.39 0.00 0.00 0.00 179.25 180.18 1k56 n GLU 35 N -4.45 2.69 -3.67 0.00 -0.58 -1.25 -4.99 120.64 108.39 1k56 n GLU 35 Ca 0.11 -2.28 -0.21 0.00 -0.42 0.00 0.00 57.16 54.36 1k56 n GLU 35 Cb 0.12 -1.40 0.04 0.00 -0.57 0.00 0.00 31.44 29.63 1k56 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k56 n ALA 36 N 1.04 -2.04 -2.70 0.62 0.00 -0.70 -4.93 120.51 111.80 1k56 n ALA 36 Ca 0.17 -0.16 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 1k56 n ALA 36 Cb 0.51 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 17.82 1k56 n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k56 s VAL 37 N -3.64 5.21 -0.41 0.00 1.01 -0.25 -5.04 120.40 117.29 1k56 s VAL 37 Ca 0.02 0.82 -0.17 0.00 0.00 0.00 0.00 61.98 62.65 1k56 s VAL 37 Cb -0.00 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1k56 s VAL 37 CO 0.80 0.37 0.42 0.20 0.00 0.00 0.00 175.10 176.89 1k56 s ASN 38 N 0.43 6.19 0.14 3.32 0.01 -1.26 -4.82 114.94 118.94 1k56 s ASN 38 Ca 0.23 -0.60 -0.12 0.00 -0.71 0.00 0.00 52.86 51.66 1k56 s ASN 38 Cb -0.15 -2.22 0.04 0.00 0.41 0.00 0.00 41.25 39.34 1k56 s ASN 38 CO 0.09 -0.54 0.57 0.61 -1.51 0.00 0.00 177.10 176.31 1k56 n GLY 39 N 5.08 1.02 2.96 0.66 0.00 -1.26 -1.22 105.19 112.43 1k56 n GLY 39 Ca -0.08 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 1k56 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k56 s VAL 40 N -2.32 0.00 -0.10 1.61 0.11 -0.13 -4.85 120.40 114.72 1k56 s VAL 40 Ca 0.12 -0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.20 1k56 s VAL 40 Cb -0.02 -0.13 -0.00 0.00 -1.53 0.00 0.00 36.38 34.70 1k56 s VAL 40 CO 0.04 -0.01 -0.23 0.12 -3.33 0.00 0.00 175.10 171.69 1k56 s PHE 41 N 0.01 2.57 -0.15 1.54 5.99 -1.26 -1.46 117.98 125.23 1k56 s PHE 41 Ca -0.00 -0.99 0.02 0.00 0.00 0.00 0.00 56.93 55.96 1k56 s PHE 41 Cb -0.01 -1.71 0.01 0.00 0.00 0.00 0.00 43.02 41.31 1k56 s PHE 41 CO 0.00 -0.39 -0.21 0.08 -0.00 0.00 0.00 175.22 174.70 1k56 s VAL 42 N 0.30 2.09 -0.08 3.12 1.01 0.50 -3.00 120.40 124.34 1k56 s VAL 42 Ca -0.17 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1k56 s VAL 42 Cb -0.18 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1k56 s VAL 42 CO 0.08 0.55 -0.10 -0.22 0.00 0.00 0.00 175.10 175.41 1k56 s LEU 43 N 0.91 1.49 -0.10 3.92 2.96 -0.17 -0.99 118.68 126.70 1k56 s LEU 43 Ca -0.05 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1k56 s LEU 43 Cb -0.15 -0.80 0.02 0.00 0.50 0.00 0.00 46.19 45.76 1k56 s LEU 43 CO -0.04 -0.02 -0.07 0.00 -1.32 0.00 0.00 176.35 174.90 1k56 s LYS 45 N 1.63 4.37 0.00 0.00 2.20 -1.17 -0.74 119.74 126.02 1k56 s LYS 45 Ca 0.03 0.71 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 1k56 s LYS 45 Cb -0.13 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1k56 s LYS 45 CO -0.07 0.03 0.00 0.45 -0.36 0.00 0.00 175.35 175.40 1k56 n SER 46 N 4.01 0.00 -3.69 1.43 2.88 0.50 -4.66 113.62 114.09 1k56 n SER 46 Ca -0.03 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.44 1k56 n SER 46 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.95 1k56 n SER 46 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1k56 s SER 47 N 0.00 -0.33 0.00 -3.46 1.04 -1.26 -4.94 113.70 104.74 1k56 s SER 47 Ca 0.00 -0.35 0.15 0.00 0.48 0.00 0.00 55.95 56.24 1k56 s SER 47 Cb 0.00 0.61 0.92 0.00 0.10 0.00 0.00 66.02 67.66 1k56 s SER 47 CO 0.00 -1.09 1.34 -1.54 0.98 0.00 0.00 173.24 172.93 1k56 n SER 48 N -0.42 0.00 0.16 7.02 3.41 -1.26 -2.80 113.62 119.73 1k56 n SER 48 Ca -0.08 -0.60 0.02 0.00 -0.26 0.00 0.00 58.87 57.95 1k56 n SER 48 Cb 0.61 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.79 1k56 n SER 48 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1k56 h LYS 49 N 0.00 0.00 -3.98 4.33 1.57 -1.94 -3.39 116.57 113.15 1k56 h LYS 49 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1k56 h LYS 49 Cb 0.00 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.91 1k56 h LYS 49 CO 0.00 0.51 -0.75 -1.12 -0.57 0.00 0.00 179.45 177.52 1k56 s SER 50 N -6.62 4.15 0.21 0.86 0.01 -1.12 0.29 113.70 111.48 1k56 s SER 50 Ca -0.00 -1.67 0.10 0.00 1.31 0.00 0.00 55.95 55.69 1k56 s SER 50 Cb 0.11 -1.10 -0.05 0.00 0.21 0.00 0.00 66.02 65.20 1k56 s SER 50 CO 0.73 -0.37 -0.19 0.00 0.41 0.00 0.00 173.24 173.81 1k56 s ALA 52 N -2.31 0.96 0.05 0.00 0.00 0.24 -1.33 121.76 119.37 1k56 s ALA 52 Ca 0.23 -1.15 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 1k56 s ALA 52 Cb -0.05 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.17 1k56 s ALA 52 CO 0.10 -0.09 0.38 -0.08 0.00 0.00 0.00 175.76 176.06 1k56 s THR 53 N -2.56 0.06 -0.26 0.00 -1.32 -0.37 -1.00 115.64 110.20 1k56 s THR 53 Ca 0.04 -0.53 0.23 0.00 -1.21 0.00 0.00 61.69 60.21 1k56 s THR 53 Cb -0.02 -0.96 0.28 0.00 -1.51 0.00 0.00 72.50 70.29 1k56 s THR 53 CO -0.01 -0.29 1.65 -0.55 -2.21 0.00 0.00 174.62 173.20 1k56 h ASN 54 N 3.05 0.00 -2.32 8.08 -1.07 -1.71 0.14 115.58 121.75 1k56 h ASN 54 Ca -0.31 0.00 -0.45 0.00 0.07 0.00 0.00 56.30 55.61 1k56 h ASN 54 Cb 1.21 0.00 -0.35 0.00 -2.07 0.00 0.00 38.32 37.10 1k56 h ASN 54 CO 0.44 0.12 -0.74 -0.62 0.07 0.00 0.00 177.43 176.71 1k56 s ASP 55 N -6.19 2.20 0.48 6.14 -1.08 -1.26 -4.66 116.67 112.30 1k56 s ASP 55 Ca 0.05 -1.49 0.16 0.00 -0.52 0.00 0.00 52.55 50.75 1k56 s ASP 55 Cb 0.07 0.13 1.17 0.00 -1.46 0.00 0.00 42.92 42.82 1k56 s ASP 55 CO 0.66 -0.34 2.04 -0.07 0.52 0.00 0.00 175.17 177.99 1k56 h LEU 56 N 7.58 0.19 -0.13 -1.34 3.38 -1.93 -0.84 115.31 122.23 1k56 h LEU 56 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1k56 h LEU 56 Cb 1.03 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1k56 h LEU 56 CO 0.29 0.12 -0.16 0.00 0.09 0.00 0.00 178.44 178.78 1k56 h ALA 57 N 1.80 0.19 0.00 1.53 0.00 -2.01 -3.19 119.26 117.58 1k56 h ALA 57 Ca 0.18 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1k56 h ALA 57 Cb 0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1k56 h ALA 57 CO -0.03 0.09 -0.10 -0.09 0.00 0.00 0.00 179.25 179.12 1k56 h ARG 58 N -0.06 0.00 -0.47 0.00 2.43 -1.89 -3.19 114.38 111.19 1k56 h ARG 58 Ca 0.02 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1k56 h ARG 58 Cb 0.71 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 1k56 h ARG 58 CO 0.04 0.10 0.32 0.00 -1.51 0.00 0.00 179.97 178.91 1k56 h ALA 59 N 1.90 1.95 -0.02 2.80 0.00 -1.14 -1.37 119.26 123.37 1k56 h ALA 59 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k56 h ALA 59 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1k56 h ALA 59 CO 0.01 -0.03 -0.17 -1.13 0.00 0.00 0.00 179.25 177.93 1k56 n SER 60 N -4.47 2.39 -4.75 0.00 3.41 -1.21 -1.78 113.62 107.21 1k56 n SER 60 Ca 0.06 -1.70 -0.41 0.00 -0.26 0.00 0.00 58.87 56.57 1k56 n SER 60 Cb 0.26 0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 1k56 n SER 60 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1k56 s LYS 61 N -1.96 4.50 -0.17 4.33 1.02 -0.52 -4.71 119.74 122.23 1k56 s LYS 61 Ca 0.21 1.92 -0.08 0.00 0.02 0.00 0.00 55.97 58.04 1k56 s LYS 61 Cb 0.17 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 1k56 s LYS 61 CO 0.36 -0.05 0.09 -1.21 -0.92 0.00 0.00 175.35 173.63 1k56 s GLU 62 N -0.68 3.86 0.17 1.68 2.02 -1.26 -3.96 118.70 120.53 1k56 s GLU 62 Ca 0.51 -0.27 0.05 0.00 0.02 0.00 0.00 54.97 55.28 1k56 s GLU 62 Cb -0.34 -3.24 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 1k56 s GLU 62 CO 0.40 0.42 -0.10 0.71 0.02 0.00 0.00 175.26 176.70 1k56 s TYR 63 N -0.01 1.42 0.19 1.61 1.51 -0.39 -4.65 117.35 117.03 1k56 s TYR 63 Ca 0.08 -0.72 -0.33 0.00 -1.01 0.00 0.00 57.07 55.09 1k56 s TYR 63 Cb -0.12 -0.72 -0.14 0.00 -0.11 0.00 0.00 41.96 40.87 1k56 s TYR 63 CO 0.00 0.15 1.40 1.28 -1.11 0.00 0.00 175.55 177.27 1k56 n LEU 64 N -0.27 2.64 0.20 -1.29 4.77 -1.25 -0.65 117.00 121.14 1k56 n LEU 64 Ca -0.09 1.12 0.07 0.00 -0.03 0.00 0.00 56.01 57.09 1k56 n LEU 64 Cb 0.61 -1.36 0.37 0.00 -2.33 0.00 0.00 43.42 40.71 1k56 n LEU 64 CO 0.33 -0.65 0.72 1.55 -1.33 0.00 0.00 177.39 178.01 1k56 h PRO 65 N 4.53 0.00 0.00 3.23 0.13 -1.76 -3.46 132.00 134.67 1k56 h PRO 65 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1k56 h PRO 65 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1k56 h PRO 65 CO 0.78 0.32 0.00 0.00 -0.23 0.00 0.00 178.00 178.87 1k56 n ALA 66 N -2.26 0.00 0.33 -0.56 0.00 -0.69 -2.27 120.51 115.06 1k56 n ALA 66 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1k56 n ALA 66 Cb 0.49 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.19 1k56 n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k56 n SER 67 N -0.81 0.09 0.33 0.00 7.64 -1.26 -1.24 113.62 118.37 1k56 n SER 67 Ca 0.00 0.53 0.22 0.00 1.01 0.00 0.00 58.87 60.63 1k56 n SER 67 Cb 0.00 -0.54 1.18 0.00 -1.01 0.00 0.00 64.21 63.83 1k56 n SER 67 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1k56 h THR 68 N 0.00 0.00 0.00 0.44 1.35 -1.50 -3.40 112.91 109.80 1k56 h THR 68 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.65 1k56 h THR 68 Cb 0.18 0.96 0.01 0.00 -1.73 0.00 0.00 68.15 67.57 1k56 h THR 68 CO 0.00 0.00 1.90 0.33 -0.25 0.00 0.00 175.52 177.50 1k56 n PHE 69 N -3.02 0.76 0.00 4.73 7.35 -0.37 -4.45 117.46 122.45 1k56 n PHE 69 Ca -0.03 -1.32 0.00 0.00 -0.76 0.00 0.00 57.45 55.35 1k56 n PHE 69 Cb 0.08 -1.20 0.00 0.00 0.35 0.00 0.00 39.48 38.71 1k56 n PHE 69 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1k56 n ILE 71 N 4.57 0.00 -0.07 -2.13 5.41 -1.26 -1.55 119.36 124.33 1k56 n ILE 71 Ca 0.25 0.00 0.01 0.00 1.00 0.00 0.00 62.75 64.01 1k56 n ILE 71 Cb 0.08 0.00 0.31 0.00 -0.71 0.00 0.00 39.64 39.31 1k56 n ILE 71 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1k56 h PRO 72 N 0.00 0.69 -0.59 0.38 0.13 -1.98 -2.59 132.00 128.04 1k56 h PRO 72 Ca 0.00 -0.09 -0.08 0.00 -0.87 0.00 0.00 66.00 64.96 1k56 h PRO 72 Cb 0.00 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 30.98 1k56 h PRO 72 CO 0.00 0.55 0.04 -0.97 -0.23 0.00 0.00 178.00 177.39 1k56 h ASN 73 N 0.69 0.96 -0.45 1.44 -0.00 -1.65 0.95 115.58 117.51 1k56 h ASN 73 Ca 0.17 -0.24 -0.03 0.00 -0.00 0.00 0.00 56.30 56.19 1k56 h ASN 73 Cb 0.10 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.15 1k56 h ASN 73 CO -0.02 0.99 0.15 0.00 -0.00 0.00 0.00 177.43 178.55 1k56 h ALA 74 N 1.11 0.59 -0.36 1.57 0.00 -1.75 0.16 119.26 120.57 1k56 h ALA 74 Ca 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1k56 h ALA 74 Cb 0.48 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1k56 h ALA 74 CO 0.02 0.24 0.08 0.82 0.00 0.00 0.00 179.25 180.41 1k56 h ILE 75 N 0.59 1.23 -0.75 0.00 2.04 -0.99 -1.56 117.51 118.07 1k56 h ILE 75 Ca 0.15 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1k56 h ILE 75 Cb 0.26 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1k56 h ILE 75 CO -0.01 0.26 0.37 0.40 0.00 0.00 0.00 178.15 179.17 1k56 h ILE 76 N 0.44 1.24 -0.58 -0.67 2.04 -0.66 -1.00 117.51 118.32 1k56 h ILE 76 Ca 0.11 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.35 1k56 h ILE 76 Cb 0.31 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 1k56 h ILE 76 CO 0.00 0.28 0.31 1.23 0.00 0.00 0.00 178.15 179.98 1k56 h GLY 77 N 1.06 0.84 0.90 5.37 0.00 -0.40 -0.82 103.07 110.01 1k56 h GLY 77 Ca 0.26 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1k56 h GLY 77 CO -0.03 0.14 -0.04 1.41 0.00 0.00 0.00 176.54 178.01 1k56 h LEU 78 N 0.59 0.59 -1.01 3.11 3.38 -1.01 -0.76 115.31 120.21 1k56 h LEU 78 Ca 0.26 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1k56 h LEU 78 Cb 0.15 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1k56 h LEU 78 CO -0.17 0.79 0.61 -0.33 0.09 0.00 0.00 178.44 179.44 1k56 h GLU 79 N 0.38 1.28 0.00 1.13 4.39 -0.81 -2.26 114.58 118.69 1k56 h GLU 79 Ca 0.09 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1k56 h GLU 79 Cb 0.52 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1k56 h GLU 79 CO 0.02 0.87 -0.26 0.25 -1.16 0.00 0.00 179.01 178.73 1k56 n THR 80 N -4.37 0.06 -0.81 1.13 -2.24 -0.35 -4.93 114.28 102.78 1k56 n THR 80 Ca 0.11 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1k56 n THR 80 Cb 0.03 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1k56 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k56 n GLY 81 N 1.48 0.83 0.36 3.38 0.00 -0.85 -4.91 105.19 105.47 1k56 n GLY 81 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 1k56 n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k56 h VAL 82 N 0.00 1.21 -3.79 1.61 2.07 -1.51 -3.37 116.25 112.46 1k56 h VAL 82 Ca 0.00 -0.38 -0.64 0.00 0.82 0.00 0.00 66.70 66.49 1k56 h VAL 82 Cb 0.00 -0.01 -0.19 0.00 -1.52 0.00 0.00 31.29 29.57 1k56 h VAL 82 CO 0.00 0.20 -0.56 -0.63 0.02 0.00 0.00 177.57 176.60 1k56 s ILE 83 N -5.93 4.93 0.14 4.57 1.01 -0.41 -5.00 121.20 120.52 1k56 s ILE 83 Ca -0.12 0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.41 1k56 s ILE 83 Cb 0.18 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1k56 s ILE 83 CO 0.79 0.29 1.75 0.11 0.00 0.00 0.00 174.94 177.88 1k56 h LYS 84 N 8.28 0.50 0.00 2.79 1.79 -1.88 -3.39 116.57 124.65 1k56 h LYS 84 Ca -0.36 -0.05 0.16 0.00 -2.18 0.00 0.00 60.65 58.22 1k56 h LYS 84 Cb 1.18 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.70 1k56 h LYS 84 CO 0.56 0.39 0.43 0.27 -1.08 0.00 0.00 179.45 180.03 1k56 n ASN 85 N -4.78 -0.62 0.06 0.86 0.23 -1.26 -5.02 115.26 104.74 1k56 n ASN 85 Ca -0.00 -1.15 0.09 0.00 -0.53 0.00 0.00 54.58 52.98 1k56 n ASN 85 Cb 0.07 0.96 0.39 0.00 -2.08 0.00 0.00 39.78 39.11 1k56 n ASN 85 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1k56 n GLU 86 N -0.44 0.09 -0.23 -3.83 0.00 -1.26 -2.11 120.64 112.86 1k56 n GLU 86 Ca 0.02 0.35 0.11 0.00 0.00 0.00 0.00 57.16 57.64 1k56 n GLU 86 Cb 0.29 -1.68 0.23 0.00 0.00 0.00 0.00 31.44 30.28 1k56 n GLU 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1k56 n HIS 87 N -1.85 0.61 -1.86 -1.84 8.25 -1.26 -4.59 115.22 112.68 1k56 n HIS 87 Ca 0.03 -0.33 -0.41 0.00 -0.26 0.00 0.00 57.72 56.74 1k56 n HIS 87 Cb 0.18 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 1k56 n HIS 87 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k56 s GLN 88 N -1.28 4.17 -0.16 -0.41 0.74 -0.90 -4.97 119.66 116.85 1k56 s GLN 88 Ca 0.39 2.49 -0.05 0.00 0.05 0.00 0.00 55.36 58.25 1k56 s GLN 88 Cb 0.22 -3.02 -0.03 0.00 1.10 0.00 0.00 33.01 31.28 1k56 s GLN 88 CO 0.30 -0.52 -0.01 0.08 -0.55 0.00 0.00 175.29 174.60 1k56 s VAL 89 N -0.51 4.19 -0.58 1.34 1.01 -1.26 -3.64 120.40 120.95 1k56 s VAL 89 Ca 0.57 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 62.11 1k56 s VAL 89 Cb -0.45 -2.85 0.10 0.00 0.00 0.00 0.00 36.38 33.18 1k56 s VAL 89 CO 0.53 0.49 0.69 -0.36 0.00 0.00 0.00 175.10 176.45 1k56 s PHE 90 N 0.26 3.01 0.29 5.22 0.40 0.00 -4.96 117.98 122.19 1k56 s PHE 90 Ca -0.01 -0.90 -0.28 0.00 -0.60 0.00 0.00 56.93 55.14 1k56 s PHE 90 Cb -0.13 -3.93 -0.09 0.00 0.51 0.00 0.00 43.02 39.37 1k56 s PHE 90 CO 0.02 -1.25 1.04 0.15 0.70 0.00 0.00 175.22 175.88 1k56 s LYS 91 N 2.67 4.61 0.13 0.44 1.02 -1.26 -1.98 119.74 125.37 1k56 s LYS 91 Ca 0.12 1.66 -0.26 0.00 0.02 0.00 0.00 55.97 57.50 1k56 s LYS 91 Cb -0.23 -3.08 -0.07 0.00 -0.52 0.00 0.00 37.83 33.92 1k56 s LYS 91 CO 0.07 0.23 0.82 -0.46 -0.92 0.00 0.00 175.35 175.09 1k56 s TRP 92 N -1.27 3.85 -2.42 3.18 -0.00 -1.26 -4.93 118.94 116.08 1k56 s TRP 92 Ca 0.46 1.64 0.27 0.00 -0.00 0.00 0.00 56.10 58.47 1k56 s TRP 92 Cb -0.28 -2.85 1.03 0.00 -0.00 0.00 0.00 33.47 31.36 1k56 s TRP 92 CO 0.36 0.39 1.72 -0.40 -0.00 0.00 0.00 176.95 179.02 1k56 n ASP 93 N 2.14 1.45 0.00 5.86 5.68 -1.26 -4.90 116.55 125.52 1k56 n ASP 93 Ca -0.03 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 1k56 n ASP 93 Cb 0.49 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1k56 n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k56 n GLY 94 N 1.15 1.06 3.85 6.12 0.00 -1.26 -5.03 105.19 111.09 1k56 n GLY 94 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1k56 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k56 s LYS 95 N -0.26 3.97 0.47 1.61 -0.14 -1.26 -5.02 119.74 119.12 1k56 s LYS 95 Ca 0.00 0.57 -0.24 0.00 -1.36 0.00 0.00 55.97 54.94 1k56 s LYS 95 Cb 0.00 -2.57 -0.07 0.00 -1.68 0.00 0.00 37.83 33.51 1k56 s LYS 95 CO 0.00 0.25 1.42 -2.14 -0.76 0.00 0.00 175.35 174.12 1k56 s PRO 96 N -2.76 3.55 0.33 -1.68 0.02 -1.26 -4.99 135.00 128.20 1k56 s PRO 96 Ca 0.50 2.40 0.09 0.00 0.02 0.00 0.00 61.00 64.01 1k56 s PRO 96 Cb -0.11 -2.57 -0.06 0.00 0.02 0.00 0.00 34.50 31.78 1k56 s PRO 96 CO 0.19 -0.92 -0.08 1.03 -0.33 0.00 0.00 177.00 176.89 1k56 s ARG 97 N -2.56 1.75 0.46 5.54 0.52 -1.26 -5.05 118.95 118.34 1k56 s ARG 97 Ca 0.63 -1.90 0.25 0.00 -0.52 0.00 0.00 55.73 54.19 1k56 s ARG 97 Cb -0.44 -1.54 1.05 0.00 0.52 0.00 0.00 34.95 34.54 1k56 s ARG 97 CO 0.55 0.10 1.88 0.00 0.02 0.00 0.00 175.30 177.86 1k56 h ALA 98 N 2.09 1.08 -3.80 2.13 0.00 -1.99 -3.41 119.26 115.36 1k56 h ALA 98 Ca -0.41 -0.19 -0.52 0.00 0.00 0.00 0.00 54.91 53.79 1k56 h ALA 98 Cb 1.25 -0.03 -0.31 0.00 0.00 0.00 0.00 17.79 18.69 1k56 h ALA 98 CO 0.70 0.26 -0.82 -1.64 0.00 0.00 0.00 179.25 177.74 1k56 s MET 99 N -3.77 1.57 0.35 0.00 -1.94 -1.26 -5.03 119.30 109.22 1k56 s MET 99 Ca -0.00 -0.50 0.07 0.00 -1.71 0.00 0.00 55.69 53.54 1k56 s MET 99 Cb 0.11 -1.37 0.75 0.00 2.01 0.00 0.00 34.83 36.33 1k56 s MET 99 CO 0.62 0.18 1.91 -0.22 -0.01 0.00 0.00 175.02 177.50 1k56 h LYS 100 N 6.40 0.73 0.00 2.03 3.64 -2.00 -0.73 116.57 126.64 1k56 h LYS 100 Ca -0.32 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1k56 h LYS 100 Cb 1.18 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1k56 h LYS 100 CO 0.48 0.48 0.00 1.96 -2.27 0.00 0.00 179.45 180.10 1k56 h GLN 101 N 0.76 0.00 -0.01 1.90 4.20 -1.96 -1.47 115.11 118.53 1k56 h GLN 101 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1k56 h GLN 101 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1k56 h GLN 101 CO -0.15 0.00 -0.46 0.91 -0.67 0.00 0.00 178.83 178.46 1k56 n TRP 102 N -2.53 0.00 -2.29 2.96 8.01 -0.28 -4.71 117.44 118.59 1k56 n TRP 102 Ca -0.01 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.75 1k56 n TRP 102 Cb 0.09 -0.10 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1k56 n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1k56 n GLU 103 N -0.77 3.38 -3.61 -0.99 1.02 -0.55 -4.82 120.64 114.30 1k56 n GLU 103 Ca 0.09 -3.33 -0.04 0.00 -0.02 0.00 0.00 57.16 53.85 1k56 n GLU 103 Cb 0.37 -3.07 -0.03 0.00 -0.02 0.00 0.00 31.44 28.70 1k56 n GLU 103 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1k56 s ARG 104 N 1.47 0.26 0.48 3.49 1.70 -1.26 -5.07 118.95 120.02 1k56 s ARG 104 Ca 0.43 -0.04 -0.23 0.00 -0.47 0.00 0.00 55.73 55.41 1k56 s ARG 104 Cb 0.09 0.12 -0.07 0.00 -0.57 0.00 0.00 34.95 34.52 1k56 s ARG 104 CO -0.01 -0.10 1.30 -0.51 -1.08 0.00 0.00 175.30 174.89 1k56 s ASP 105 N -1.75 5.81 0.03 -2.89 -0.00 -1.26 -4.33 116.67 112.29 1k56 s ASP 105 Ca 0.08 2.63 0.02 0.00 -0.00 0.00 0.00 52.55 55.29 1k56 s ASP 105 Cb -0.01 -2.63 -0.02 0.00 -0.00 0.00 0.00 42.92 40.26 1k56 s ASP 105 CO -0.05 -1.19 -0.08 -0.76 -0.00 0.00 0.00 175.17 173.10 1k56 s LEU 106 N -3.05 2.17 0.90 1.23 1.43 -0.84 -4.96 118.68 115.56 1k56 s LEU 106 Ca 0.65 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 1k56 s LEU 106 Cb -0.37 -0.23 0.16 0.00 0.03 0.00 0.00 46.19 45.78 1k56 s LEU 106 CO 0.45 -0.10 1.25 0.42 0.23 0.00 0.00 176.35 178.60 1k56 s THR 107 N -0.95 2.02 0.14 5.49 -4.23 -1.26 -0.82 115.64 116.03 1k56 s THR 107 Ca -0.05 -0.05 -0.18 0.00 -1.18 0.00 0.00 61.69 60.22 1k56 s THR 107 Cb -0.07 -2.97 -0.00 0.00 1.34 0.00 0.00 72.50 70.79 1k56 s THR 107 CO 0.00 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.06 1k56 h LEU 108 N -1.38 -0.02 -0.57 4.79 5.85 -1.81 0.15 115.31 122.32 1k56 h LEU 108 Ca -0.44 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1k56 h LEU 108 Cb 1.26 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1k56 h LEU 108 CO 0.46 0.02 0.37 -0.09 -0.34 0.00 0.00 178.44 178.86 1k56 h ARG 109 N 0.14 0.75 -0.38 1.25 2.43 -1.88 -1.62 114.38 115.06 1k56 h ARG 109 Ca 0.13 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1k56 h ARG 109 Cb 0.15 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1k56 h ARG 109 CO -0.19 0.51 0.20 0.78 -1.51 0.00 0.00 179.97 179.76 1k56 h GLY 110 N 0.77 0.57 1.44 2.80 0.00 -1.83 0.13 103.07 106.94 1k56 h GLY 110 Ca 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1k56 h GLY 110 CO -0.04 0.25 0.12 0.00 0.00 0.00 0.00 176.54 176.86 1k56 h ALA 111 N 1.06 1.32 -0.06 3.60 0.00 -0.48 0.15 119.26 124.85 1k56 h ALA 111 Ca 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1k56 h ALA 111 Cb 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1k56 h ALA 111 CO -0.02 0.48 -0.01 0.82 0.00 0.00 0.00 179.25 180.52 1k56 h ILE 112 N 0.69 1.28 -0.02 0.00 2.04 -0.87 -0.49 117.51 120.13 1k56 h ILE 112 Ca 0.16 -0.86 -0.14 0.00 1.00 0.00 0.00 64.86 65.02 1k56 h ILE 112 Cb 0.25 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1k56 h ILE 112 CO -0.00 0.24 -0.62 1.56 0.00 0.00 0.00 178.15 179.32 1k56 h GLN 113 N -0.21 0.06 -0.09 2.37 1.08 -0.47 -1.66 115.11 116.20 1k56 h GLN 113 Ca 0.02 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1k56 h GLN 113 Cb 0.38 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1k56 h GLN 113 CO 0.00 0.66 0.00 1.33 -0.95 0.00 0.00 178.83 179.88 1k56 n VAL 114 N -3.82 0.10 -3.60 -0.54 0.24 0.02 -4.97 118.33 105.75 1k56 n VAL 114 Ca -0.02 -0.35 -0.24 0.00 -2.04 0.00 0.00 64.34 61.70 1k56 n VAL 114 Cb 0.62 0.63 0.04 0.00 -1.47 0.00 0.00 33.84 33.66 1k56 n VAL 114 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1k56 n SER 115 N 0.47 -3.98 -4.58 -1.34 7.64 -0.62 -4.86 113.62 106.35 1k56 n SER 115 Ca 0.18 -0.88 -0.37 0.00 1.01 0.00 0.00 58.87 58.80 1k56 n SER 115 Cb 0.40 -4.00 -0.03 0.00 -1.01 0.00 0.00 64.21 59.57 1k56 n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k56 s ALA 116 N -3.54 2.65 0.24 -0.43 0.00 -0.24 -4.88 121.76 115.56 1k56 s ALA 116 Ca 0.29 -2.49 -0.12 0.00 0.00 0.00 0.00 51.96 49.64 1k56 s ALA 116 Cb -0.08 -4.64 0.32 0.00 0.00 0.00 0.00 23.12 18.72 1k56 s ALA 116 CO 0.82 -4.05 1.60 0.28 0.00 0.00 0.00 175.76 174.40 1k56 h VAL 117 N 6.04 0.21 -0.12 0.00 2.07 -1.89 -1.67 116.25 120.90 1k56 h VAL 117 Ca 0.32 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.84 1k56 h VAL 117 Cb 0.92 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1k56 h VAL 117 CO 1.36 0.00 0.08 -0.65 0.02 0.00 0.00 177.57 178.38 1k56 h PRO 118 N -0.01 0.15 -0.08 1.57 0.11 -1.99 0.42 132.00 132.17 1k56 h PRO 118 Ca 0.37 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.47 1k56 h PRO 118 Cb 0.57 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1k56 h PRO 118 CO -0.80 0.10 0.05 0.28 -0.21 0.00 0.00 178.00 177.41 1k56 h VAL 119 N 0.15 1.06 0.00 3.15 2.07 -1.72 -2.29 116.25 118.68 1k56 h VAL 119 Ca 0.04 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1k56 h VAL 119 Cb -0.01 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1k56 h VAL 119 CO -0.01 0.06 -0.31 -0.26 0.02 0.00 0.00 177.57 177.06 1k56 h PHE 120 N 0.06 0.00 -0.30 1.57 -1.00 -1.36 -1.60 116.94 114.31 1k56 h PHE 120 Ca 0.03 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 1k56 h PHE 120 Cb 0.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1k56 h PHE 120 CO -0.05 0.31 0.10 1.96 -1.61 0.00 0.00 178.31 179.02 1k56 h GLN 121 N 0.00 0.46 -0.50 1.51 4.20 -0.81 -0.82 115.11 119.16 1k56 h GLN 121 Ca -0.00 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.50 1k56 h GLN 121 Cb 0.98 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 1k56 h GLN 121 CO 0.04 0.50 -0.14 0.37 -0.67 0.00 0.00 178.83 178.93 1k56 h GLN 122 N 0.33 0.96 -0.25 1.46 5.75 -1.24 -1.80 115.11 120.32 1k56 h GLN 122 Ca 0.10 -0.36 0.04 0.00 -0.15 0.00 0.00 58.65 58.28 1k56 h GLN 122 Cb 0.23 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 1k56 h GLN 122 CO -0.00 1.03 -0.01 0.82 -2.65 0.00 0.00 178.83 178.02 1k56 h ILE 123 N 0.84 0.82 -0.44 2.39 2.04 -1.16 -2.24 117.51 119.76 1k56 h ILE 123 Ca 0.13 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.99 1k56 h ILE 123 Cb 0.69 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1k56 h ILE 123 CO 0.05 0.01 0.23 0.00 0.00 0.00 0.00 178.15 178.45 1k56 h ALA 124 N 1.21 0.55 -0.78 1.87 0.00 -0.95 -0.53 119.26 120.64 1k56 h ALA 124 Ca 0.12 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1k56 h ALA 124 Cb 0.15 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1k56 h ALA 124 CO -0.20 -0.11 0.46 0.00 0.00 0.00 0.00 179.25 179.40 1k56 h ARG 125 N 0.47 0.80 -0.40 0.00 3.08 -1.11 0.12 114.38 117.35 1k56 h ARG 125 Ca 0.18 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.04 1k56 h ARG 125 Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1k56 h ARG 125 CO -0.11 0.53 -0.34 0.93 -1.07 0.00 0.00 179.97 179.91 1k56 h GLU 126 N 0.83 0.91 -0.15 0.04 5.08 -0.88 -2.96 114.58 117.45 1k56 h GLU 126 Ca 0.35 -0.45 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1k56 h GLU 126 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1k56 h GLU 126 CO -0.19 1.10 0.06 0.28 -1.00 0.00 0.00 179.01 179.26 1k56 h VAL 127 N 0.76 0.98 0.00 3.13 2.07 -0.77 -3.50 116.25 118.92 1k56 h VAL 127 Ca 0.07 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1k56 h VAL 127 Cb 0.92 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1k56 h VAL 127 CO 0.08 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1k56 n GLY 128 N -1.14 -1.74 0.18 2.17 0.00 -0.00 -4.35 105.19 100.31 1k56 n GLY 128 Ca -0.04 -1.53 -0.07 0.00 0.00 0.00 0.00 46.02 44.39 1k56 n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k56 h GLU 129 N 0.00 0.43 -0.38 1.61 4.81 -1.88 -1.32 114.58 117.85 1k56 h GLU 129 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1k56 h GLU 129 Cb 0.00 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1k56 h GLU 129 CO 0.00 0.29 0.24 0.28 -0.73 0.00 0.00 179.01 179.09 1k56 h VAL 130 N 0.45 1.11 -0.14 0.32 2.07 -2.00 -0.49 116.25 117.57 1k56 h VAL 130 Ca 0.17 -0.23 -0.22 0.00 0.82 0.00 0.00 66.70 67.24 1k56 h VAL 130 Cb 0.05 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1k56 h VAL 130 CO -0.10 0.11 -0.79 0.03 0.02 0.00 0.00 177.57 176.84 1k56 h ARG 131 N 0.51 0.73 -0.30 1.57 3.08 -1.73 -2.02 114.38 116.22 1k56 h ARG 131 Ca 0.14 -0.61 0.02 0.00 0.07 0.00 0.00 59.98 59.60 1k56 h ARG 131 Cb -0.03 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1k56 h ARG 131 CO -0.03 1.22 0.15 1.98 -1.07 0.00 0.00 179.97 182.22 1k56 h MET 132 N 0.50 0.31 -0.46 0.04 4.05 -1.05 -1.14 114.93 117.18 1k56 h MET 132 Ca -0.05 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1k56 h MET 132 Cb 1.41 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 32.11 1k56 h MET 132 CO 0.16 0.20 0.29 0.37 0.23 0.00 0.00 176.91 178.16 1k56 h GLN 133 N 0.31 0.57 -0.41 0.39 5.75 -1.00 -1.32 115.11 119.41 1k56 h GLN 133 Ca 0.12 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.64 1k56 h GLN 133 Cb 0.04 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 1k56 h GLN 133 CO -0.08 0.38 0.15 -0.22 -2.65 0.00 0.00 178.83 176.41 1k56 h LYS 134 N 0.59 0.31 -0.07 1.69 3.64 -1.00 -2.27 116.57 119.46 1k56 h LYS 134 Ca 0.17 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 1k56 h LYS 134 Cb -0.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1k56 h LYS 134 CO -0.05 0.20 -0.64 1.88 -2.27 0.00 0.00 179.45 178.57 1k56 h TYR 135 N 0.32 0.37 0.00 1.91 -1.99 -0.95 -1.98 116.97 114.64 1k56 h TYR 135 Ca 0.19 -0.15 -0.07 0.00 2.00 0.00 0.00 58.73 60.70 1k56 h TYR 135 Cb 0.17 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 1k56 h TYR 135 CO -0.15 0.84 -0.34 -0.07 -0.00 0.00 0.00 178.16 178.45 1k56 h LEU 136 N 0.20 0.00 -0.07 3.88 3.38 -1.08 -0.17 115.31 121.45 1k56 h LEU 136 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1k56 h LEU 136 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1k56 h LEU 136 CO 0.10 0.34 -0.06 0.50 0.09 0.00 0.00 178.44 179.41 1k56 h LYS 137 N 0.00 0.16 -1.00 1.13 3.64 -1.22 -1.58 116.57 117.70 1k56 h LYS 137 Ca -0.00 -0.08 0.10 0.00 -1.27 0.00 0.00 60.65 59.39 1k56 h LYS 137 Cb 0.64 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.38 1k56 h LYS 137 CO 0.04 0.60 0.63 0.87 -2.27 0.00 0.00 179.45 179.32 1k56 h LYS 138 N -0.26 1.01 -0.01 1.90 1.57 -1.02 -2.08 116.57 117.68 1k56 h LYS 138 Ca 0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1k56 h LYS 138 Cb 0.56 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1k56 h LYS 138 CO 0.02 0.67 -0.09 1.19 -0.57 0.00 0.00 179.45 180.67 1k56 n PHE 139 N -4.59 0.00 -3.88 -1.35 0.99 -0.11 -4.73 117.46 103.79 1k56 n PHE 139 Ca 0.18 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.35 1k56 n PHE 139 Cb 0.30 -0.12 -0.00 0.00 -1.00 0.00 0.00 39.48 38.66 1k56 n PHE 139 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1k56 n SER 140 N -0.73 -1.81 -4.34 4.37 7.64 -0.76 -4.88 113.62 113.11 1k56 n SER 140 Ca 0.16 -1.02 -0.46 0.00 1.01 0.00 0.00 58.87 58.56 1k56 n SER 140 Cb 0.27 -3.08 -0.04 0.00 -1.01 0.00 0.00 64.21 60.36 1k56 n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k56 s TYR 141 N -3.81 3.33 0.00 1.43 5.04 -0.67 -4.97 117.35 117.71 1k56 s TYR 141 Ca 0.15 -1.43 0.00 0.00 -2.44 0.00 0.00 57.07 53.35 1k56 s TYR 141 Cb -0.06 -3.89 0.00 0.00 0.35 0.00 0.00 41.96 38.36 1k56 s TYR 141 CO 0.88 -1.11 0.00 0.41 -1.34 0.00 0.00 175.55 174.39 1k56 n GLY 142 N 4.89 2.52 0.00 8.97 0.00 -1.26 -2.08 105.19 118.23 1k56 n GLY 142 Ca -0.02 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.73 1k56 n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k56 n ASN 143 N 0.01 0.00 -1.91 1.61 6.94 0.10 -4.89 115.26 117.12 1k56 n ASN 143 Ca 0.00 -0.73 -0.14 0.00 -0.02 0.00 0.00 54.58 53.69 1k56 n ASN 143 Cb 0.00 -0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 37.34 1k56 n ASN 143 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1k56 n GLN 144 N -1.05 -1.71 -3.24 -3.83 6.02 -0.89 -4.91 117.38 107.77 1k56 n GLN 144 Ca 0.19 0.74 -0.44 0.00 -0.01 0.00 0.00 57.00 57.48 1k56 n GLN 144 Cb 0.11 -5.17 -0.06 0.00 1.02 0.00 0.00 30.24 26.14 1k56 n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1k56 s ASN 145 N -2.10 6.19 -0.20 1.08 3.04 -1.26 -4.91 114.94 116.78 1k56 s ASN 145 Ca 0.00 -1.19 0.15 0.00 0.04 0.00 0.00 52.86 51.86 1k56 s ASN 145 Cb 0.00 -2.25 0.75 0.00 -1.54 0.00 0.00 41.25 38.21 1k56 s ASN 145 CO 0.00 -0.84 1.67 2.30 -3.04 0.00 0.00 177.10 177.19 1k56 n ILE 146 N 5.44 2.49 -0.63 -5.21 -5.35 -1.26 -1.77 119.36 113.06 1k56 n ILE 146 Ca -0.10 -1.44 -0.31 0.00 -0.27 0.00 0.00 62.75 60.64 1k56 n ILE 146 Cb 0.44 -0.18 0.19 0.00 -1.74 0.00 0.00 39.64 38.35 1k56 n ILE 146 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1k56 n SER 147 N 0.54 -0.67 0.00 7.28 7.64 -1.26 -4.23 113.62 122.92 1k56 n SER 147 Ca 0.26 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1k56 n SER 147 Cb 1.08 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1k56 n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k56 n GLY 148 N 0.72 3.09 0.00 0.23 0.00 -1.26 -4.11 105.19 103.86 1k56 n GLY 148 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1k56 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k56 n GLY 149 N 0.00 2.38 0.24 -0.02 0.00 -1.26 -5.00 105.19 101.53 1k56 n GLY 149 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1k56 n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k56 h ILE 150 N 0.00 1.00 -0.54 -0.61 6.09 -1.91 -1.38 117.51 120.17 1k56 h ILE 150 Ca 0.00 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 63.14 1k56 h ILE 150 Cb 0.00 1.19 0.00 0.00 0.47 0.00 0.00 36.82 38.48 1k56 h ILE 150 CO 0.00 0.10 0.00 -0.90 -3.07 0.00 0.00 178.15 174.28 1k56 n ASP 151 N -4.32 3.31 0.00 2.19 3.85 -1.26 -4.53 116.55 115.79 1k56 n ASP 151 Ca -0.03 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 1k56 n ASP 151 Cb 0.18 -0.36 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 1k56 n ASP 151 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 1k56 n LYS 152 N 1.33 0.00 0.18 0.11 2.85 -0.58 -4.85 118.16 117.21 1k56 n LYS 152 Ca 0.21 -0.31 0.03 0.00 -1.05 0.00 0.00 58.31 57.19 1k56 n LYS 152 Cb 0.54 -0.44 0.41 0.00 -0.65 0.00 0.00 35.03 34.89 1k56 n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1k56 h PHE 153 N 0.00 0.06 -0.00 5.58 -0.00 -1.65 0.88 116.94 121.81 1k56 h PHE 153 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.96 1k56 h PHE 153 Cb 0.85 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.78 1k56 h PHE 153 CO 0.00 0.31 -0.34 -2.67 -0.00 0.00 0.00 178.31 175.61 1k56 n TRP 154 N -4.21 0.00 -0.10 6.09 2.14 -1.26 -2.58 117.44 117.52 1k56 n TRP 154 Ca -0.02 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.40 1k56 n TRP 154 Cb 0.32 -0.32 -0.09 0.00 -0.81 0.00 0.00 31.31 30.41 1k56 n TRP 154 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1k56 n LEU 155 N -1.47 2.81 0.00 5.67 4.77 -0.31 -1.71 117.00 126.76 1k56 n LEU 155 Ca 0.06 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1k56 n LEU 155 Cb 0.34 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1k56 n LEU 155 CO 0.32 0.79 0.01 -0.62 -1.33 0.00 0.00 177.39 176.56 1k56 n GLU 156 N -3.18 0.45 0.00 3.23 1.02 0.15 -4.91 120.64 117.40 1k56 n GLU 156 Ca -0.36 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.76 1k56 n GLU 156 Cb 0.86 -0.22 0.00 0.00 -0.02 0.00 0.00 31.44 32.06 1k56 n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k56 n GLY 157 N 0.07 1.28 0.85 0.62 0.00 -1.06 -5.00 105.19 101.93 1k56 n GLY 157 Ca 0.00 -1.60 0.10 0.00 0.00 0.00 0.00 46.02 44.52 1k56 n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k56 n GLN 158 N 0.00 1.91 -2.38 1.61 1.13 -1.23 -4.94 117.38 113.47 1k56 n GLN 158 Ca 0.00 -1.79 -0.41 0.00 -1.94 0.00 0.00 57.00 52.86 1k56 n GLN 158 Cb 0.00 -1.40 -0.04 0.00 0.11 0.00 0.00 30.24 28.92 1k56 n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1k56 s LEU 159 N -1.61 4.47 -0.02 1.08 2.96 -0.73 -4.68 118.68 120.15 1k56 s LEU 159 Ca 0.26 2.28 -0.03 0.00 -0.22 0.00 0.00 54.13 56.41 1k56 s LEU 159 Cb 0.17 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1k56 s LEU 159 CO 0.26 -0.32 0.07 -0.13 -1.32 0.00 0.00 176.35 174.90 1k56 s ARG 160 N -0.67 0.18 -0.04 1.98 1.81 -1.26 -3.97 118.95 116.97 1k56 s ARG 160 Ca 0.50 -0.07 -0.10 0.00 -1.72 0.00 0.00 55.73 54.35 1k56 s ARG 160 Cb -0.33 0.08 0.02 0.00 -0.45 0.00 0.00 34.95 34.26 1k56 s ARG 160 CO 0.39 -0.03 0.23 -1.50 -0.68 0.00 0.00 175.30 173.71 1k56 s ILE 161 N -0.38 0.04 0.52 1.52 2.07 0.18 -0.72 121.20 124.43 1k56 s ILE 161 Ca -0.04 -0.32 0.01 0.00 -1.41 0.00 0.00 60.65 58.89 1k56 s ILE 161 Cb -0.03 -0.44 0.02 0.00 0.13 0.00 0.00 42.46 42.14 1k56 s ILE 161 CO 0.00 -0.18 0.74 -0.94 -1.91 0.00 0.00 174.94 172.65 1k56 s SER 162 N -0.68 5.43 0.16 4.50 1.04 -1.25 -1.26 113.70 121.63 1k56 s SER 162 Ca -0.08 0.04 -0.13 0.00 0.48 0.00 0.00 55.95 56.26 1k56 s SER 162 Cb -0.04 -1.02 0.06 0.00 0.10 0.00 0.00 66.02 65.12 1k56 s SER 162 CO 0.02 -1.02 1.71 0.00 0.98 0.00 0.00 173.24 174.93 1k56 h ALA 163 N 0.18 0.72 -0.69 5.32 0.00 -1.69 -1.14 119.26 121.97 1k56 h ALA 163 Ca -0.43 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.32 1k56 h ALA 163 Cb 1.29 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1k56 h ALA 163 CO 0.53 0.34 0.45 0.28 0.00 0.00 0.00 179.25 180.85 1k56 h VAL 164 N 0.76 1.18 -0.57 0.00 2.07 -1.72 -2.00 116.25 115.98 1k56 h VAL 164 Ca 0.18 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1k56 h VAL 164 Cb 0.21 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1k56 h VAL 164 CO -0.01 0.17 0.08 -1.13 0.02 0.00 0.00 177.57 176.70 1k56 h ASN 165 N 0.93 0.88 -0.31 0.57 -0.73 -1.76 -1.34 115.58 113.82 1k56 h ASN 165 Ca 0.25 -0.19 0.04 0.00 1.87 0.00 0.00 56.30 58.27 1k56 h ASN 165 Cb -0.10 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 38.22 1k56 h ASN 165 CO -0.05 0.89 0.06 1.56 -0.37 0.00 0.00 177.43 179.52 1k56 h GLN 166 N 0.87 0.17 -0.55 6.67 1.08 -0.88 -0.89 115.11 121.58 1k56 h GLN 166 Ca 0.18 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.38 1k56 h GLN 166 Cb 0.40 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 1k56 h GLN 166 CO 0.01 0.11 0.36 0.28 -0.95 0.00 0.00 178.83 178.64 1k56 h VAL 167 N 0.18 1.12 -0.38 -0.54 2.07 -0.99 0.26 116.25 117.96 1k56 h VAL 167 Ca 0.15 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1k56 h VAL 167 Cb 0.16 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1k56 h VAL 167 CO -0.19 0.13 0.23 -0.33 0.02 0.00 0.00 177.57 177.43 1k56 h GLU 168 N 0.72 0.45 -0.27 1.57 5.08 -0.91 -0.09 114.58 121.12 1k56 h GLU 168 Ca 0.21 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1k56 h GLU 168 Cb -0.05 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1k56 h GLU 168 CO -0.06 0.30 0.09 0.35 -1.00 0.00 0.00 179.01 178.69 1k56 h PHE 169 N 0.46 0.43 -0.74 4.33 3.04 -0.96 -2.07 116.94 121.43 1k56 h PHE 169 Ca 0.15 -0.04 -0.05 0.00 3.98 0.00 0.00 57.97 62.01 1k56 h PHE 169 Cb -0.00 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.35 1k56 h PHE 169 CO -0.07 0.45 0.26 -0.07 -2.02 0.00 0.00 178.31 176.86 1k56 h LEU 170 N 0.27 1.06 -0.48 0.59 3.38 -0.74 -1.49 115.31 117.91 1k56 h LEU 170 Ca 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1k56 h LEU 170 Cb 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1k56 h LEU 170 CO -0.00 0.97 0.28 -0.08 0.09 0.00 0.00 178.44 179.70 1k56 h GLU 171 N 1.09 0.67 -0.48 1.13 4.81 -0.92 0.45 114.58 121.33 1k56 h GLU 171 Ca 0.24 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1k56 h GLU 171 Cb 0.27 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1k56 h GLU 171 CO -0.01 0.50 0.23 0.77 -0.73 0.00 0.00 179.01 179.77 1k56 h SER 172 N 0.64 0.32 -0.11 1.04 0.02 -1.05 -1.15 113.55 113.26 1k56 h SER 172 Ca 0.17 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1k56 h SER 172 Cb 0.02 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1k56 h SER 172 CO -0.03 0.23 0.06 0.25 -1.14 0.00 0.00 176.83 176.20 1k56 h LEU 173 N 0.45 0.14 -0.87 5.07 5.85 -0.77 0.24 115.31 125.43 1k56 h LEU 173 Ca 0.21 -0.09 0.16 0.00 0.84 0.00 0.00 57.88 59.01 1k56 h LEU 173 Cb 0.13 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.03 1k56 h LEU 173 CO -0.16 0.19 0.44 0.22 -0.34 0.00 0.00 178.44 178.79 1k56 h TYR 174 N 0.09 0.77 -0.03 1.25 3.20 -0.59 -1.12 116.97 120.54 1k56 h TYR 174 Ca 0.04 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1k56 h TYR 174 Cb 0.08 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.14 1k56 h TYR 174 CO -0.04 0.15 0.00 1.28 -1.64 0.00 0.00 178.16 177.91 1k56 n LEU 175 N -4.89 0.84 -2.33 2.82 4.77 -0.47 -4.92 117.00 112.82 1k56 n LEU 175 Ca 0.18 -0.30 -0.19 0.00 -0.03 0.00 0.00 56.01 55.68 1k56 n LEU 175 Cb 0.48 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 1k56 n LEU 175 CO 0.20 0.15 -0.12 0.59 -1.33 0.00 0.00 177.39 176.87 1k56 n ASN 176 N -0.32 -5.40 -0.48 -1.43 3.02 -0.42 -4.91 115.26 105.33 1k56 n ASN 176 Ca 0.20 -0.13 0.11 0.00 -0.03 0.00 0.00 54.58 54.73 1k56 n ASN 176 Cb 0.24 -4.36 0.02 0.00 -0.61 0.00 0.00 39.78 35.07 1k56 n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k56 n LYS 177 N -3.14 1.17 -1.28 3.52 5.02 -0.06 -4.83 118.16 118.56 1k56 n LYS 177 Ca -0.16 -0.96 -0.33 0.00 -2.02 0.00 0.00 58.31 54.85 1k56 n LYS 177 Cb 0.64 -1.48 0.10 0.00 -0.02 0.00 0.00 35.03 34.27 1k56 n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k56 s LEU 178 N -2.49 3.17 -1.38 -0.35 1.43 -1.24 -4.87 118.68 112.94 1k56 s LEU 178 Ca 0.19 2.17 -0.16 0.00 -1.03 0.00 0.00 54.13 55.30 1k56 s LEU 178 Cb 0.18 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.87 1k56 s LEU 178 CO 0.57 -2.32 2.08 -1.20 0.23 0.00 0.00 176.35 175.71 1k56 n SER 179 N -3.16 4.09 -3.54 2.29 7.64 -1.26 -4.77 113.62 114.90 1k56 n SER 179 Ca 0.12 -2.85 -0.10 0.00 1.01 0.00 0.00 58.87 57.04 1k56 n SER 179 Cb 0.51 -1.66 -0.02 0.00 -1.01 0.00 0.00 64.21 62.03 1k56 n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k56 s ALA 180 N 3.67 -1.52 0.61 -0.43 0.00 -1.26 -5.03 121.76 117.81 1k56 s ALA 180 Ca 0.50 0.31 -0.19 0.00 0.00 0.00 0.00 51.96 52.58 1k56 s ALA 180 Cb 0.11 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 24.05 1k56 s ALA 180 CO -0.03 -0.84 1.27 -1.54 0.00 0.00 0.00 175.76 174.62 1k56 s SER 181 N -2.78 4.90 0.25 0.00 1.04 -1.26 -4.88 113.70 110.97 1k56 s SER 181 Ca 0.04 2.57 -0.05 0.00 0.48 0.00 0.00 55.95 58.99 1k56 s SER 181 Cb -0.02 -2.61 0.35 0.00 0.10 0.00 0.00 66.02 63.83 1k56 s SER 181 CO -0.07 -1.80 1.86 0.50 0.98 0.00 0.00 173.24 174.71 1k56 h LYS 182 N 0.81 1.01 -0.23 4.02 3.64 -1.93 -2.24 116.57 121.65 1k56 h LYS 182 Ca -0.51 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 58.86 1k56 h LYS 182 Cb 1.32 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 1k56 h LYS 182 CO 0.54 0.67 -0.12 0.93 -2.27 0.00 0.00 179.45 179.20 1k56 h GLU 183 N 1.04 -0.10 -0.37 1.90 5.08 -1.99 -0.12 114.58 120.02 1k56 h GLU 183 Ca 0.39 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.66 1k56 h GLU 183 Cb 0.16 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1k56 h GLU 183 CO -0.17 -0.07 -0.15 -0.91 -1.00 0.00 0.00 179.01 176.71 1k56 h ASN 184 N -0.10 0.68 -0.52 1.42 2.35 -1.87 -0.95 115.58 116.59 1k56 h ASN 184 Ca 0.12 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1k56 h ASN 184 Cb 0.29 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1k56 h ASN 184 CO -0.29 0.84 0.25 1.56 -1.65 0.00 0.00 177.43 178.14 1k56 h GLN 185 N 0.61 0.74 -0.87 0.81 4.20 -0.93 -1.69 115.11 117.99 1k56 h GLN 185 Ca 0.10 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1k56 h GLN 185 Cb 0.61 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 1k56 h GLN 185 CO 0.04 0.61 0.47 -0.07 -0.67 0.00 0.00 178.83 179.21 1k56 h LEU 186 N 0.69 1.09 -0.11 1.46 3.38 -0.71 -0.11 115.31 121.00 1k56 h LEU 186 Ca 0.18 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1k56 h LEU 186 Cb 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1k56 h LEU 186 CO -0.02 0.88 0.06 0.40 0.09 0.00 0.00 178.44 179.85 1k56 h ILE 187 N 1.22 1.10 -0.41 1.22 2.04 -0.86 -2.02 117.51 119.80 1k56 h ILE 187 Ca 0.30 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 1k56 h ILE 187 Cb 0.04 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1k56 h ILE 187 CO -0.05 0.09 -0.13 0.58 0.00 0.00 0.00 178.15 178.64 1k56 h VAL 188 N 0.07 1.26 -0.70 1.67 2.07 -1.10 -2.62 116.25 116.90 1k56 h VAL 188 Ca 0.04 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1k56 h VAL 188 Cb 0.09 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1k56 h VAL 188 CO -0.01 0.40 0.46 0.11 0.02 0.00 0.00 177.57 178.56 1k56 h LYS 189 N 0.67 0.91 -0.22 1.57 1.57 -0.75 -2.15 116.57 118.18 1k56 h LYS 189 Ca 0.11 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1k56 h LYS 189 Cb 0.60 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1k56 h LYS 189 CO 0.04 0.60 -0.27 1.49 -0.57 0.00 0.00 179.45 180.74 1k56 h GLU 190 N 0.94 0.42 0.00 3.15 4.81 -1.22 -1.05 114.58 121.63 1k56 h GLU 190 Ca 0.26 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1k56 h GLU 190 Cb -0.09 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1k56 h GLU 190 CO -0.06 0.66 0.00 0.00 -0.73 0.00 0.00 179.01 178.88 1k56 h ALA 191 N 1.34 1.00 -0.01 2.92 0.00 -1.05 -2.48 119.26 120.99 1k56 h ALA 191 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1k56 h ALA 191 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1k56 h ALA 191 CO 0.05 0.00 -0.36 1.28 0.00 0.00 0.00 179.25 180.22 1k56 n LEU 192 N -2.89 1.08 -4.71 0.00 4.77 -0.40 -4.76 117.00 110.09 1k56 n LEU 192 Ca -0.01 -0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.25 1k56 n LEU 192 Cb 0.16 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1k56 n LEU 192 CO 0.21 0.21 1.27 -0.69 -1.33 0.00 0.00 177.39 177.06 1k56 s VAL 193 N -2.60 2.67 0.00 4.08 1.01 -0.94 -1.40 120.40 123.22 1k56 s VAL 193 Ca 0.21 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1k56 s VAL 193 Cb 0.19 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1k56 s VAL 193 CO 0.57 0.02 0.00 0.35 0.00 0.00 0.00 175.10 176.04 1k56 n THR 194 N 4.18 0.00 -3.76 3.92 -2.24 0.05 -4.91 114.28 111.50 1k56 n THR 194 Ca 0.15 -0.11 -0.14 0.00 -2.27 0.00 0.00 64.05 61.67 1k56 n THR 194 Cb 0.39 0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 69.02 1k56 n THR 194 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k56 s GLU 195 N -1.14 0.02 -0.02 -0.78 2.12 -1.17 -4.98 118.70 112.75 1k56 s GLU 195 Ca 0.00 0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.60 1k56 s GLU 195 Cb 0.00 -0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.20 1k56 s GLU 195 CO 0.00 -0.16 -0.02 0.00 -0.54 0.00 0.00 175.26 174.54 1k56 s ALA 196 N 1.06 0.29 0.20 6.30 0.00 -1.26 -0.95 121.76 127.41 1k56 s ALA 196 Ca -0.09 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.77 1k56 s ALA 196 Cb -0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 1k56 s ALA 196 CO -0.04 0.00 0.39 0.00 0.00 0.00 0.00 175.76 176.11 1k56 s ALA 197 N 0.45 -0.18 0.30 0.00 0.00 0.10 -5.02 121.76 117.41 1k56 s ALA 197 Ca -0.04 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1k56 s ALA 197 Cb -0.07 0.97 0.59 0.00 0.00 0.00 0.00 23.12 24.61 1k56 s ALA 197 CO -0.01 -0.75 1.85 -1.35 0.00 0.00 0.00 175.76 175.51 1k56 h PRO 198 N 2.38 0.93 -0.04 0.00 0.11 -2.02 -2.88 132.00 130.48 1k56 h PRO 198 Ca -0.29 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.70 1k56 h PRO 198 Cb 1.24 -0.21 -0.10 0.00 0.11 0.00 0.00 31.00 32.04 1k56 h PRO 198 CO 0.42 0.61 -0.63 0.39 -0.21 0.00 0.00 178.00 178.58 1k56 n GLU 199 N -4.59 1.36 -3.67 1.05 1.02 -1.26 -4.99 120.64 109.57 1k56 n GLU 199 Ca 0.18 -3.09 -0.08 0.00 -0.02 0.00 0.00 57.16 54.15 1k56 n GLU 199 Cb 0.35 -1.32 -0.09 0.00 -0.02 0.00 0.00 31.44 30.36 1k56 n GLU 199 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1k56 s TYR 200 N -2.61 -0.84 -0.06 -0.32 6.14 -1.09 -1.34 117.35 117.24 1k56 s TYR 200 Ca 0.38 1.63 -0.02 0.00 0.64 0.00 0.00 57.07 59.69 1k56 s TYR 200 Cb 0.38 0.40 0.04 0.00 0.42 0.00 0.00 41.96 43.19 1k56 s TYR 200 CO -0.08 -0.47 0.12 -1.17 0.64 0.00 0.00 175.55 174.59 1k56 s LEU 201 N 2.11 0.82 -0.13 6.97 2.96 -0.23 -0.72 118.68 130.46 1k56 s LEU 201 Ca -0.06 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1k56 s LEU 201 Cb -0.10 0.27 -0.01 0.00 0.50 0.00 0.00 46.19 46.85 1k56 s LEU 201 CO -0.15 -0.14 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.91 1k56 s VAL 202 N 1.12 2.96 -0.17 1.68 1.01 -0.12 -0.65 120.40 126.23 1k56 s VAL 202 Ca -0.09 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1k56 s VAL 202 Cb -0.11 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1k56 s VAL 202 CO -0.05 0.53 0.02 -1.00 0.00 0.00 0.00 175.10 174.59 1k56 s HIS 203 N 0.36 3.14 0.16 5.22 3.76 -0.45 -0.77 115.29 126.70 1k56 s HIS 203 Ca -0.12 -0.13 -0.21 0.00 -0.15 0.00 0.00 55.06 54.46 1k56 s HIS 203 Cb -0.16 -2.03 0.05 0.00 1.11 0.00 0.00 32.58 31.55 1k56 s HIS 203 CO 0.06 0.03 0.55 -1.54 -0.85 0.00 0.00 174.74 172.99 1k56 s SER 204 N 0.45 -0.43 -0.11 1.40 1.04 -0.50 -0.90 113.70 114.65 1k56 s SER 204 Ca -0.00 -0.17 -0.08 0.00 0.48 0.00 0.00 55.95 56.17 1k56 s SER 204 Cb -0.13 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.60 1k56 s SER 204 CO 0.02 -0.98 0.29 -0.75 0.98 0.00 0.00 173.24 172.79 1k56 s LYS 205 N -3.79 0.30 0.49 4.02 2.47 -0.17 -4.80 119.74 118.26 1k56 s LYS 205 Ca 0.03 0.47 0.00 0.00 -1.56 0.00 0.00 55.97 54.92 1k56 s LYS 205 Cb -0.01 0.06 0.01 0.00 -1.46 0.00 0.00 37.83 36.43 1k56 s LYS 205 CO -0.10 -0.09 0.72 0.95 0.16 0.00 0.00 175.35 176.99 1k56 s THR 206 N 0.60 3.47 0.02 3.43 -4.23 -1.26 -1.56 115.64 116.11 1k56 s THR 206 Ca -0.04 -0.55 -0.19 0.00 -1.18 0.00 0.00 61.69 59.74 1k56 s THR 206 Cb -0.05 -3.29 0.04 0.00 1.34 0.00 0.00 72.50 70.53 1k56 s THR 206 CO -0.04 -0.21 0.42 -0.83 -0.54 0.00 0.00 174.62 173.42 1k56 s GLY 207 N -4.30 -0.28 -0.28 3.99 0.00 -0.61 -3.55 107.32 102.29 1k56 s GLY 207 Ca 0.52 0.43 -0.04 0.00 0.00 0.00 0.00 44.72 45.63 1k56 s GLY 207 CO 0.38 0.17 0.57 -0.12 0.00 0.00 0.00 173.10 174.11 1k56 s PHE 208 N -2.02 -1.35 -0.50 1.90 5.36 -1.26 -0.85 117.98 119.25 1k56 s PHE 208 Ca -0.08 1.77 0.24 0.00 -0.96 0.00 0.00 56.93 57.90 1k56 s PHE 208 Cb -0.02 0.54 0.43 0.00 -0.34 0.00 0.00 43.02 43.64 1k56 s PHE 208 CO 0.01 -0.76 1.61 0.66 -1.46 0.00 0.00 175.22 175.28 1k56 h SER 209 N 8.04 0.00 -4.77 6.13 4.64 -1.37 -3.44 113.55 122.79 1k56 h SER 209 Ca -0.20 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1k56 h SER 209 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1k56 h SER 209 CO 0.20 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 1k56 n GLY 210 N 1.16 0.80 0.29 -0.77 0.00 -1.26 -4.92 105.19 100.48 1k56 n GLY 210 Ca 0.04 -2.24 0.12 0.00 0.00 0.00 0.00 46.02 43.95 1k56 n GLY 210 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k56 n VAL 211 N -0.50 0.00 0.00 1.61 0.24 -1.26 -3.71 118.33 114.71 1k56 n VAL 211 Ca 0.00 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1k56 n VAL 211 Cb 0.00 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1k56 n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k56 n GLY 212 N 1.38 3.30 3.24 7.63 0.00 -1.26 -3.27 105.19 116.21 1k56 n GLY 212 Ca 0.11 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1k56 n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k56 s THR 213 N 0.00 0.14 0.32 2.61 -4.23 -0.64 -4.89 115.64 108.95 1k56 s THR 213 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1k56 s THR 213 Cb 0.00 -2.53 0.28 0.00 1.34 0.00 0.00 72.50 71.60 1k56 s THR 213 CO 0.00 0.00 1.92 -0.08 -0.54 0.00 0.00 174.62 175.92 1k56 h GLU 214 N 2.50 0.92 0.03 3.99 4.81 -1.91 -1.49 114.58 123.43 1k56 h GLU 214 Ca -0.35 -0.06 -0.22 0.00 -0.13 0.00 0.00 59.36 58.60 1k56 h GLU 214 Cb 1.25 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1k56 h GLU 214 CO 0.53 0.61 -1.01 0.66 -0.73 0.00 0.00 179.01 179.07 1k56 h SER 215 N 0.95 0.14 -2.27 1.04 4.64 -1.96 -3.38 113.55 112.70 1k56 h SER 215 Ca 0.37 -0.14 -0.58 0.00 -0.47 0.00 0.00 61.79 60.97 1k56 h SER 215 Cb 0.23 -0.04 -0.39 0.00 -0.31 0.00 0.00 62.40 61.88 1k56 h SER 215 CO -0.14 1.06 -0.93 0.59 -0.87 0.00 0.00 176.83 176.54 1k56 n ASN 216 N -3.47 0.82 -4.75 4.97 3.02 -1.02 -5.13 115.26 109.70 1k56 n ASN 216 Ca -0.03 -2.76 -0.31 0.00 -0.03 0.00 0.00 54.58 51.46 1k56 n ASN 216 Cb 0.91 -0.63 0.11 0.00 -0.61 0.00 0.00 39.78 39.57 1k56 n ASN 216 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1k56 s PRO 217 N -1.01 1.87 0.95 3.52 0.04 -0.59 -1.62 135.00 138.16 1k56 s PRO 217 Ca 0.34 1.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.29 1k56 s PRO 217 Cb 0.10 -1.86 0.23 0.00 0.04 0.00 0.00 34.50 33.01 1k56 s PRO 217 CO -0.13 -1.89 1.11 0.41 0.04 0.00 0.00 177.00 176.54 1k56 n GLY 218 N -1.10 -1.92 3.24 0.56 0.00 -0.16 -4.76 105.19 101.05 1k56 n GLY 218 Ca 0.08 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 1k56 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k56 s VAL 219 N -3.30 1.60 0.06 1.61 0.11 -1.26 -1.11 120.40 118.11 1k56 s VAL 219 Ca 0.66 -1.26 0.07 0.00 -2.93 0.00 0.00 61.98 58.52 1k56 s VAL 219 Cb -0.03 -1.41 -0.03 0.00 -1.53 0.00 0.00 36.38 33.38 1k56 s VAL 219 CO 0.48 0.11 -0.20 0.00 -3.33 0.00 0.00 175.10 172.15 1k56 s ALA 220 N -0.90 1.70 0.10 1.54 0.00 -0.36 -0.86 121.76 122.98 1k56 s ALA 220 Ca 0.06 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 50.97 1k56 s ALA 220 Cb -0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1k56 s ALA 220 CO 0.02 0.36 -0.12 -1.58 0.00 0.00 0.00 175.76 174.44 1k56 s TRP 221 N -0.94 1.16 -0.07 0.00 0.52 -0.03 -0.96 118.94 118.63 1k56 s TRP 221 Ca 0.06 -0.58 -0.03 0.00 0.02 0.00 0.00 56.10 55.57 1k56 s TRP 221 Cb -0.09 -0.63 0.04 0.00 -1.15 0.00 0.00 33.47 31.64 1k56 s TRP 221 CO 0.03 0.05 0.14 -0.46 0.02 0.00 0.00 176.95 176.72 1k56 s TRP 222 N -2.06 -0.13 0.10 -1.98 -0.00 -0.62 -1.57 118.94 112.68 1k56 s TRP 222 Ca 0.04 0.53 0.04 0.00 -0.00 0.00 0.00 56.10 56.71 1k56 s TRP 222 Cb -0.05 -0.27 -0.04 0.00 -0.00 0.00 0.00 33.47 33.11 1k56 s TRP 222 CO 0.01 -0.24 -0.11 0.14 -0.00 0.00 0.00 176.95 176.76 1k56 s VAL 223 N 2.09 1.01 -4.93 5.86 -7.23 -0.60 -1.11 120.40 115.49 1k56 s VAL 223 Ca 0.01 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1k56 s VAL 223 Cb -0.12 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.40 1k56 s VAL 223 CO -0.05 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 174.80 1k56 n GLY 224 N 0.51 -0.49 3.28 2.32 0.00 -0.80 -1.00 105.19 108.99 1k56 n GLY 224 Ca -0.16 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1k56 n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k56 s TRP 225 N -3.88 -0.19 -0.11 1.61 -2.14 -0.08 -0.90 118.94 113.25 1k56 s TRP 225 Ca 0.00 0.16 0.03 0.00 2.66 0.00 0.00 56.10 58.94 1k56 s TRP 225 Cb 0.00 0.14 -0.00 0.00 -3.10 0.00 0.00 33.47 30.51 1k56 s TRP 225 CO 0.00 -0.50 -0.20 0.08 -2.66 0.00 0.00 176.95 173.67 1k56 s VAL 226 N -2.19 2.39 -0.24 -0.66 1.01 0.06 -1.34 120.40 119.43 1k56 s VAL 226 Ca -0.07 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 1k56 s VAL 226 Cb -0.02 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1k56 s VAL 226 CO -0.01 0.55 0.04 -1.61 0.00 0.00 0.00 175.10 174.07 1k56 s GLU 227 N 0.38 3.59 -0.17 2.72 2.02 0.18 -0.41 118.70 127.02 1k56 s GLU 227 Ca -0.15 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1k56 s GLU 227 Cb -0.17 -3.23 0.03 0.00 0.10 0.00 0.00 34.13 30.86 1k56 s GLU 227 CO 0.07 -0.17 -0.12 0.21 0.02 0.00 0.00 175.26 175.26 1k56 s LYS 228 N 1.53 2.16 4.41 1.61 2.20 -0.40 -1.07 119.74 130.19 1k56 s LYS 228 Ca 0.06 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 1k56 s LYS 228 Cb -0.15 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 1k56 s LYS 228 CO 0.02 -0.32 0.00 0.39 -0.36 0.00 0.00 175.35 175.08 1k56 n GLU 229 N 4.74 0.00 -0.63 4.03 1.02 -0.45 -0.81 120.64 128.55 1k56 n GLU 229 Ca -0.16 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.07 1k56 n GLU 229 Cb 0.49 0.00 0.34 0.00 -0.02 0.00 0.00 31.44 32.25 1k56 n GLU 229 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1k56 n THR 230 N 0.00 2.05 -4.12 2.62 -2.24 -1.26 -4.95 114.28 106.37 1k56 n THR 230 Ca 0.00 -1.32 -0.24 0.00 -2.27 0.00 0.00 64.05 60.21 1k56 n THR 230 Cb 0.00 0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.19 1k56 n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k56 s GLU 231 N -2.12 2.80 0.00 -0.78 2.56 0.01 -5.12 118.70 116.06 1k56 s GLU 231 Ca 0.49 -1.00 0.04 0.00 0.00 0.00 0.00 54.97 54.50 1k56 s GLU 231 Cb 0.34 -2.55 -0.01 0.00 2.00 0.00 0.00 34.13 33.91 1k56 s GLU 231 CO 0.20 0.44 -0.12 0.54 -0.56 0.00 0.00 175.26 175.76 1k56 s VAL 232 N -1.92 0.98 -0.10 3.70 0.11 -1.26 -1.28 120.40 120.62 1k56 s VAL 232 Ca 0.31 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 1k56 s VAL 232 Cb -0.09 -0.84 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1k56 s VAL 232 CO 0.23 0.18 -0.09 -0.31 -3.33 0.00 0.00 175.10 171.79 1k56 s TYR 233 N -0.46 1.47 0.02 1.54 1.51 0.46 -0.37 117.35 121.53 1k56 s TYR 233 Ca 0.03 -0.69 -0.12 0.00 -1.01 0.00 0.00 57.07 55.29 1k56 s TYR 233 Cb -0.06 -1.19 -0.06 0.00 -0.11 0.00 0.00 41.96 40.55 1k56 s TYR 233 CO 0.00 -0.46 0.38 -0.06 -1.11 0.00 0.00 175.55 174.30 1k56 s PHE 234 N 1.46 3.65 0.05 2.71 0.40 0.08 -0.76 117.98 125.56 1k56 s PHE 234 Ca 0.00 0.85 -0.07 0.00 -0.60 0.00 0.00 56.93 57.11 1k56 s PHE 234 Cb -0.13 -2.19 -0.00 0.00 0.51 0.00 0.00 43.02 41.20 1k56 s PHE 234 CO -0.05 0.60 0.15 -0.59 0.70 0.00 0.00 175.22 176.02 1k56 s PHE 235 N -1.22 0.15 -0.20 0.36 -0.12 -0.08 -0.72 117.98 116.16 1k56 s PHE 235 Ca 0.27 -0.47 -0.10 0.00 -0.05 0.00 0.00 56.93 56.58 1k56 s PHE 235 Cb -0.15 -0.10 0.07 0.00 -0.63 0.00 0.00 43.02 42.21 1k56 s PHE 235 CO 0.15 -0.43 0.47 0.00 -0.05 0.00 0.00 175.22 175.36 1k56 s ALA 236 N -2.96 -1.24 -0.03 1.99 0.00 -0.17 -1.91 121.76 117.44 1k56 s ALA 236 Ca -0.02 1.72 0.05 0.00 0.00 0.00 0.00 51.96 53.72 1k56 s ALA 236 Cb 0.01 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 1k56 s ALA 236 CO -0.06 -0.36 -0.20 0.12 0.00 0.00 0.00 175.76 175.26 1k56 s PHE 237 N 1.62 1.84 0.04 0.00 2.19 -0.27 -0.37 117.98 123.03 1k56 s PHE 237 Ca -0.09 -0.44 -0.02 0.00 0.33 0.00 0.00 56.93 56.72 1k56 s PHE 237 Cb -0.08 -1.21 -0.03 0.00 -1.31 0.00 0.00 43.02 40.39 1k56 s PHE 237 CO -0.14 -0.10 0.00 0.54 1.83 0.00 0.00 175.22 177.35 1k56 s ASN 238 N -0.25 0.36 0.00 6.13 2.20 -0.53 -1.59 114.94 121.26 1k56 s ASN 238 Ca 0.02 -0.78 -0.11 0.00 -0.94 0.00 0.00 52.86 51.05 1k56 s ASN 238 Cb -0.10 0.19 0.01 0.00 -2.00 0.00 0.00 41.25 39.35 1k56 s ASN 238 CO 0.01 -0.52 0.23 0.00 -2.94 0.00 0.00 177.10 173.88 1k56 s MET 239 N -3.08 0.61 0.36 3.55 0.23 -0.13 -0.95 119.30 119.89 1k56 s MET 239 Ca -0.01 -0.34 -0.26 0.00 -1.03 0.00 0.00 55.69 54.06 1k56 s MET 239 Cb 0.02 0.26 -0.09 0.00 -1.53 0.00 0.00 34.83 33.49 1k56 s MET 239 CO -0.07 -0.16 1.07 -0.51 -2.03 0.00 0.00 175.02 173.32 1k56 s ASP 240 N -1.48 6.89 -0.12 -1.18 1.01 -0.36 -1.22 116.67 120.22 1k56 s ASP 240 Ca -0.13 2.14 -0.07 0.00 0.71 0.00 0.00 52.55 55.20 1k56 s ASP 240 Cb -0.05 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.32 1k56 s ASP 240 CO 0.02 -0.41 0.29 -0.51 0.21 0.00 0.00 175.17 174.78 1k56 s ILE 241 N -1.48 -0.03 -0.00 0.77 2.07 -0.27 -4.69 121.20 117.56 1k56 s ILE 241 Ca 0.54 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.90 1k56 s ILE 241 Cb -0.26 -0.44 0.01 0.00 0.13 0.00 0.00 42.46 41.90 1k56 s ILE 241 CO 0.33 0.05 0.79 -0.90 -1.91 0.00 0.00 174.94 173.30 1k56 n ASP 242 N 4.11 1.12 -3.68 4.50 3.85 -1.26 -0.99 116.55 124.19 1k56 n ASP 242 Ca -0.24 -1.60 -0.11 0.00 -0.71 0.00 0.00 54.79 52.13 1k56 n ASP 242 Cb 0.54 -0.01 -0.11 0.00 -1.35 0.00 0.00 41.12 40.18 1k56 n ASP 242 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1k56 s ASN 243 N -0.62 -0.16 0.65 -1.12 3.84 -1.26 -4.87 114.94 111.40 1k56 s ASN 243 Ca 0.01 0.78 0.36 0.00 0.21 0.00 0.00 52.86 54.21 1k56 s ASN 243 Cb 0.01 0.85 1.96 0.00 -0.55 0.00 0.00 41.25 43.52 1k56 s ASN 243 CO 0.00 -0.21 2.14 -0.33 -2.79 0.00 0.00 177.10 175.90 1k56 h GLU 244 N 7.75 0.00 0.00 0.43 5.08 -1.97 -1.23 114.58 124.64 1k56 h GLU 244 Ca -0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1k56 h GLU 244 Cb 1.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1k56 h GLU 244 CO 0.22 0.00 -0.06 0.66 -1.00 0.00 0.00 179.01 178.83 1k56 h SER 245 N 0.00 0.00 0.23 1.42 4.64 -2.04 -2.14 113.55 115.67 1k56 h SER 245 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1k56 h SER 245 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1k56 h SER 245 CO -0.00 0.06 -0.09 0.29 -0.87 0.00 0.00 176.83 176.21 1k56 n LYS 246 N -3.24 0.92 -0.24 4.77 4.76 -0.46 -4.50 118.16 120.18 1k56 n LYS 246 Ca -0.01 -0.36 0.05 0.00 -2.87 0.00 0.00 58.31 55.12 1k56 n LYS 246 Cb 0.27 -1.49 0.16 0.00 -1.84 0.00 0.00 35.03 32.13 1k56 n LYS 246 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1k56 h LEU 247 N 0.88 -0.02 -1.20 -0.35 3.38 -1.55 -2.26 115.31 114.20 1k56 h LEU 247 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1k56 h LEU 247 Cb 0.35 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1k56 h LEU 247 CO 0.00 -0.04 0.00 1.55 0.09 0.00 0.00 178.44 180.04 1k56 h PRO 248 N 0.25 0.00 0.00 1.13 0.13 -1.85 -1.81 132.00 129.86 1k56 h PRO 248 Ca 0.39 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.52 1k56 h PRO 248 Cb 0.66 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 1k56 h PRO 248 CO -0.50 0.00 -0.04 -0.07 -0.23 0.00 0.00 178.00 177.16 1k56 h LEU 249 N 0.00 0.00 -2.47 1.56 3.38 -1.75 -1.62 115.31 114.41 1k56 h LEU 249 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k56 h LEU 249 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1k56 h LEU 249 CO 0.00 0.04 -0.01 0.08 0.09 0.00 0.00 178.44 178.64 1k56 h ARG 250 N 0.00 0.00 0.00 1.13 0.11 -1.51 -1.86 114.38 112.25 1k56 h ARG 250 Ca -0.00 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.78 1k56 h ARG 250 Cb 0.28 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.30 1k56 h ARG 250 CO 0.01 0.01 -2.15 1.63 0.10 0.00 0.00 179.97 179.57 1k56 n LYS 251 N -3.73 0.71 -0.02 0.08 5.02 -0.81 -4.28 118.16 115.13 1k56 n LYS 251 Ca -0.03 0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.24 1k56 n LYS 251 Cb 0.10 -1.41 0.03 0.00 -0.02 0.00 0.00 35.03 33.72 1k56 n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k56 h SER 252 N 0.00 0.73 0.52 4.39 4.64 -1.17 -1.11 113.55 121.55 1k56 h SER 252 Ca -0.45 -0.39 -0.03 0.00 -0.47 0.00 0.00 61.79 60.46 1k56 h SER 252 Cb 1.77 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 63.66 1k56 h SER 252 CO -0.05 1.12 -0.25 0.40 -0.87 0.00 0.00 176.83 177.18 1k56 h ILE 253 N 0.50 0.45 -0.61 0.95 2.04 -1.61 -0.19 117.51 119.05 1k56 h ILE 253 Ca 0.01 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1k56 h ILE 253 Cb 1.10 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1k56 h ILE 253 CO 0.11 0.03 0.32 1.55 0.00 0.00 0.00 178.15 180.16 1k56 h PRO 254 N -0.83 0.84 -0.69 2.37 0.13 -1.77 -1.21 132.00 130.83 1k56 h PRO 254 Ca -0.07 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1k56 h PRO 254 Cb 0.59 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.52 1k56 h PRO 254 CO 0.12 0.63 0.37 1.15 -0.23 0.00 0.00 178.00 180.04 1k56 h THR 255 N 0.84 1.22 -0.33 1.56 2.02 -1.10 0.07 112.91 117.19 1k56 h THR 255 Ca 0.21 -0.55 -0.11 0.00 0.77 0.00 0.00 66.41 66.73 1k56 h THR 255 Cb 0.04 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1k56 h THR 255 CO -0.03 0.24 -0.26 0.11 0.37 0.00 0.00 175.52 175.95 1k56 h LYS 256 N 0.95 0.67 -0.09 6.66 1.57 -0.19 0.37 116.57 126.51 1k56 h LYS 256 Ca 0.24 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1k56 h LYS 256 Cb 0.05 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1k56 h LYS 256 CO -0.04 0.86 0.04 0.82 -0.57 0.00 0.00 179.45 180.56 1k56 h ILE 257 N 0.58 1.13 -0.50 1.86 2.04 -0.97 -1.23 117.51 120.41 1k56 h ILE 257 Ca 0.08 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1k56 h ILE 257 Cb 0.74 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1k56 h ILE 257 CO 0.06 0.11 0.27 0.24 0.00 0.00 0.00 178.15 178.83 1k56 h MET 258 N 0.01 0.71 -0.72 2.37 2.86 -0.67 -2.17 114.93 117.31 1k56 h MET 258 Ca 0.03 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1k56 h MET 258 Cb 0.14 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1k56 h MET 258 CO -0.00 0.56 0.43 0.93 1.06 0.00 0.00 176.91 179.89 1k56 h GLU 259 N 0.67 0.98 0.00 1.72 5.08 -0.82 -0.75 114.58 121.46 1k56 h GLU 259 Ca 0.18 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1k56 h GLU 259 Cb 0.06 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1k56 h GLU 259 CO -0.03 0.69 -0.07 0.66 -1.00 0.00 0.00 179.01 179.26 1k56 h SER 260 N 1.00 0.00 -0.18 1.42 4.64 -0.59 -0.38 113.55 119.45 1k56 h SER 260 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1k56 h SER 260 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1k56 h SER 260 CO -0.05 0.07 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 1k56 n GLU 261 N -3.30 1.92 -0.68 4.77 -0.58 -0.40 -4.94 120.64 117.43 1k56 n GLU 261 Ca -0.01 -1.37 0.00 0.00 -0.42 0.00 0.00 57.16 55.36 1k56 n GLU 261 Cb 0.26 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1k56 n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k56 n GLY 262 N 1.22 0.67 3.42 0.62 0.00 -0.15 -5.00 105.19 105.97 1k56 n GLY 262 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1k56 n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k56 s ILE 263 N -2.09 4.84 0.00 -0.61 1.01 -0.56 -4.98 121.20 118.81 1k56 s ILE 263 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 60.65 59.18 1k56 s ILE 263 Cb 0.00 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.80 1k56 s ILE 263 CO 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 174.94 173.58