#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 1.54 0.14 2.46 2.07 -1.26 -2.59 121.20 123.56 1k56 s ILE 22 Ca 0.00 -0.80 0.08 0.00 -1.41 0.00 0.00 60.65 58.52 1k56 s ILE 22 Cb 0.00 -1.31 -0.04 0.00 0.13 0.00 0.00 42.46 41.24 1k56 s ILE 22 CO 0.00 0.44 -0.12 0.42 -1.91 0.00 0.00 174.94 173.77 1k56 s THR 23 N -0.14 3.19 -0.06 4.00 -4.23 -0.53 -4.99 115.64 112.89 1k56 s THR 23 Ca -0.00 -1.47 -0.21 0.00 -1.18 0.00 0.00 61.69 58.83 1k56 s THR 23 Cb -0.11 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1k56 s THR 23 CO 0.01 0.03 0.62 -0.70 -0.54 0.00 0.00 174.62 174.04 1k56 s GLU 24 N -2.43 4.38 -0.44 3.99 2.12 -1.26 -1.43 118.70 123.63 1k56 s GLU 24 Ca 0.22 0.74 -0.03 0.00 0.36 0.00 0.00 54.97 56.26 1k56 s GLU 24 Cb -0.10 -3.41 0.12 0.00 0.26 0.00 0.00 34.13 30.99 1k56 s GLU 24 CO 0.13 0.18 0.25 1.21 -0.54 0.00 0.00 175.26 176.49 1k56 s ASN 25 N 0.45 5.28 0.38 -1.70 3.84 0.10 -4.90 114.94 118.40 1k56 s ASN 25 Ca 0.33 -2.14 0.06 0.00 0.21 0.00 0.00 52.86 51.32 1k56 s ASN 25 Cb -0.17 -1.84 0.78 0.00 -0.55 0.00 0.00 41.25 39.46 1k56 s ASN 25 CO 0.16 -0.53 2.02 0.71 -2.79 0.00 0.00 177.10 176.67 1k56 h THR 26 N 6.20 1.09 -0.21 -5.21 1.35 -1.84 -2.12 112.91 112.18 1k56 h THR 26 Ca -0.12 -0.23 0.06 0.00 -0.55 0.00 0.00 66.41 65.57 1k56 h THR 26 Cb 1.04 0.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1k56 h THR 26 CO 0.71 0.12 0.16 0.77 -0.25 0.00 0.00 175.52 177.04 1k56 h SER 27 N 0.68 0.00 0.28 5.36 4.64 -1.94 -1.28 113.55 121.29 1k56 h SER 27 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1k56 h SER 27 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1k56 h SER 27 CO -0.06 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.69 1k56 n TRP 28 N -4.34 0.00 0.89 4.77 8.01 -0.79 -2.17 117.44 123.81 1k56 n TRP 28 Ca 0.02 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.33 1k56 n TRP 28 Cb 0.30 -0.24 0.53 0.00 -2.01 0.00 0.00 31.31 29.90 1k56 n TRP 28 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1k56 n ASN 29 N -1.24 0.00 -0.11 -0.99 3.02 -0.48 -4.31 115.26 111.15 1k56 n ASN 29 Ca 0.09 0.40 -0.07 0.00 -0.03 0.00 0.00 54.58 54.97 1k56 n ASN 29 Cb 0.13 -0.46 -0.01 0.00 -0.61 0.00 0.00 39.78 38.83 1k56 n ASN 29 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1k56 h LYS 30 N 0.00 -0.20 -0.01 3.52 3.64 -1.65 -0.93 116.57 120.94 1k56 h LYS 30 Ca 0.00 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.24 1k56 h LYS 30 Cb 0.38 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1k56 h LYS 30 CO 0.00 -0.14 -0.73 0.93 -2.27 0.00 0.00 179.45 177.24 1k56 h GLU 31 N -0.21 0.04 -0.23 1.90 4.39 -1.86 -1.29 114.58 117.33 1k56 h GLU 31 Ca 0.18 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1k56 h GLU 31 Cb 0.50 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1k56 h GLU 31 CO -0.50 0.75 0.04 0.74 -1.16 0.00 0.00 179.01 178.88 1k56 h PHE 32 N 0.03 0.40 -0.66 4.33 -1.00 -1.65 -1.95 116.94 116.44 1k56 h PHE 32 Ca -0.01 -0.05 -0.05 0.00 2.81 0.00 0.00 57.97 60.66 1k56 h PHE 32 Cb 1.29 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 40.71 1k56 h PHE 32 CO 0.01 0.50 0.21 1.03 -1.61 0.00 0.00 178.31 178.45 1k56 h SER 33 N 0.18 0.96 -0.33 2.17 0.87 -1.15 -0.25 113.55 116.00 1k56 h SER 33 Ca 0.07 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 1k56 h SER 33 Cb 0.32 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1k56 h SER 33 CO 0.00 0.91 0.16 0.00 -0.53 0.00 0.00 176.83 177.37 1k56 h ALA 34 N 1.08 1.56 -0.02 6.23 0.00 -1.00 -2.12 119.26 124.99 1k56 h ALA 34 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1k56 h ALA 34 Cb 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1k56 h ALA 34 CO -0.01 0.35 -0.25 0.39 0.00 0.00 0.00 179.25 179.73 1k56 n GLU 35 N -4.39 1.69 -3.61 0.00 -0.58 -0.75 -4.99 120.64 108.00 1k56 n GLU 35 Ca 0.02 -1.38 -0.21 0.00 -0.42 0.00 0.00 57.16 55.17 1k56 n GLU 35 Cb 0.14 -1.47 0.06 0.00 -0.57 0.00 0.00 31.44 29.60 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 0.55 -1.86 -2.47 0.62 0.00 -0.18 -5.02 120.51 112.16 1k56 n ALA 36 Ca 0.12 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.31 1k56 n ALA 36 Cb 0.52 -2.80 -0.11 0.00 0.00 0.00 0.00 19.45 17.05 1k56 n ALA 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1k56 s VAL 37 N -3.48 1.78 -0.20 0.00 -7.23 -0.77 -5.05 120.40 105.45 1k56 s VAL 37 Ca 0.14 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 58.38 1k56 s VAL 37 Cb -0.07 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1k56 s VAL 37 CO 0.77 -0.29 0.05 0.20 -0.31 0.00 0.00 175.10 175.53 1k56 s ASN 38 N -2.55 5.35 0.16 4.85 0.01 -1.26 -4.51 114.94 116.98 1k56 s ASN 38 Ca 0.14 -0.04 -0.23 0.00 -0.71 0.00 0.00 52.86 52.02 1k56 s ASN 38 Cb -0.06 -1.92 0.08 0.00 0.41 0.00 0.00 41.25 39.75 1k56 s ASN 38 CO 0.06 0.11 1.07 -0.83 -1.51 0.00 0.00 177.10 176.00 1k56 s GLY 39 N 0.76 0.07 0.00 0.66 0.00 -1.26 -1.29 107.32 106.26 1k56 s GLY 39 Ca 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 44.72 44.45 1k56 s GLY 39 CO 0.02 2.78 0.04 0.54 0.00 0.00 0.00 173.10 176.49 1k56 s VAL 40 N -2.18 0.06 -0.06 1.40 0.11 0.14 -4.87 120.40 115.01 1k56 s VAL 40 Ca 0.23 -0.53 0.03 0.00 -2.93 0.00 0.00 61.98 58.77 1k56 s VAL 40 Cb -0.02 -0.24 0.01 0.00 -1.53 0.00 0.00 36.38 34.59 1k56 s VAL 40 CO 0.04 -0.29 -0.14 0.12 -3.33 0.00 0.00 175.10 171.50 1k56 s PHE 41 N -0.91 1.54 -0.11 1.54 5.99 -1.26 -1.19 117.98 123.59 1k56 s PHE 41 Ca -0.10 -0.53 0.03 0.00 0.00 0.00 0.00 56.93 56.34 1k56 s PHE 41 Cb -0.06 -1.09 0.01 0.00 0.00 0.00 0.00 43.02 41.87 1k56 s PHE 41 CO 0.00 -0.24 -0.22 0.08 -0.00 0.00 0.00 175.22 174.84 1k56 s VAL 42 N 0.43 1.94 -0.06 3.12 1.01 0.26 -2.98 120.40 124.13 1k56 s VAL 42 Ca -0.11 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1k56 s VAL 42 Cb -0.14 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1k56 s VAL 42 CO 0.03 0.53 -0.06 -0.22 0.00 0.00 0.00 175.10 175.38 1k56 s LEU 43 N 0.57 1.34 -0.09 3.92 2.96 -0.40 -1.36 118.68 125.62 1k56 s LEU 43 Ca -0.14 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1k56 s LEU 43 Cb -0.17 -0.56 0.02 0.00 0.50 0.00 0.00 46.19 45.98 1k56 s LEU 43 CO 0.04 -0.05 -0.12 0.00 -1.32 0.00 0.00 176.35 174.91 1k56 s LYS 45 N 1.06 4.29 0.00 0.00 2.20 -1.06 -1.00 119.74 125.22 1k56 s LYS 45 Ca -0.07 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 1k56 s LYS 45 Cb -0.15 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1k56 s LYS 45 CO -0.01 0.22 0.00 0.43 -0.36 0.00 0.00 175.35 175.63 1k56 n SER 46 N 3.48 0.00 -3.81 1.43 7.64 0.36 -4.64 113.62 118.08 1k56 n SER 46 Ca -0.09 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.73 1k56 n SER 46 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 1k56 n SER 46 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1k56 s SER 47 N 0.00 -0.27 0.00 6.43 1.04 -1.26 -4.93 113.70 114.71 1k56 s SER 47 Ca 0.00 -0.52 0.19 0.00 0.48 0.00 0.00 55.95 56.10 1k56 s SER 47 Cb 0.00 0.67 1.13 0.00 0.10 0.00 0.00 66.02 67.92 1k56 s SER 47 CO 0.00 -1.24 1.62 -1.54 0.98 0.00 0.00 173.24 173.07 1k56 n SER 48 N -0.45 0.00 -0.52 7.02 3.41 -1.26 -2.36 113.62 119.46 1k56 n SER 48 Ca -0.05 -1.09 0.10 0.00 -0.26 0.00 0.00 58.87 57.56 1k56 n SER 48 Cb 0.60 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.90 1k56 n SER 48 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k56 n LYS 49 N -0.85 1.68 -3.21 4.33 4.76 -1.26 -4.17 118.16 119.43 1k56 n LYS 49 Ca 0.14 -1.03 -0.24 0.00 -2.87 0.00 0.00 58.31 54.31 1k56 n LYS 49 Cb 0.06 -1.37 -0.07 0.00 -1.84 0.00 0.00 35.03 31.82 1k56 n LYS 49 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1k56 n SER 50 N 0.26 0.15 -4.42 4.39 2.88 -0.99 -3.55 113.62 112.34 1k56 n SER 50 Ca 0.15 -2.67 -0.27 0.00 -1.33 0.00 0.00 58.87 54.75 1k56 n SER 50 Cb 0.30 -0.63 -0.12 0.00 -0.75 0.00 0.00 64.21 63.01 1k56 n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k56 s ALA 52 N -1.59 0.37 0.05 0.00 0.00 -0.21 -1.46 121.76 118.92 1k56 s ALA 52 Ca 0.20 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 1k56 s ALA 52 Cb -0.08 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.26 1k56 s ALA 52 CO 0.09 -0.24 0.36 -0.08 0.00 0.00 0.00 175.76 175.89 1k56 s THR 53 N -2.61 0.07 0.13 0.00 -1.32 -0.51 -1.28 115.64 110.13 1k56 s THR 53 Ca -0.04 -0.58 0.23 0.00 -1.21 0.00 0.00 61.69 60.08 1k56 s THR 53 Cb -0.02 -0.96 0.21 0.00 -1.51 0.00 0.00 72.50 70.22 1k56 s THR 53 CO -0.05 -0.32 1.80 -0.55 -2.21 0.00 0.00 174.62 173.29 1k56 h ASN 54 N 3.06 0.00 -2.10 8.08 -1.07 -1.71 0.29 115.58 122.13 1k56 h ASN 54 Ca -0.32 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 55.80 1k56 h ASN 54 Cb 1.21 0.00 -0.32 0.00 -2.07 0.00 0.00 38.32 37.13 1k56 h ASN 54 CO 0.45 0.26 -0.58 -0.62 0.07 0.00 0.00 177.43 177.01 1k56 s ASP 55 N -6.25 1.03 0.22 6.14 -1.08 -1.26 -4.65 116.67 110.82 1k56 s ASP 55 Ca 0.01 -0.31 -0.08 0.00 -0.52 0.00 0.00 52.55 51.64 1k56 s ASP 55 Cb 0.10 0.73 0.27 0.00 -1.46 0.00 0.00 42.92 42.56 1k56 s ASP 55 CO 0.65 -0.35 1.83 -0.07 0.52 0.00 0.00 175.17 177.75 1k56 h LEU 56 N 8.24 0.68 -0.16 -1.34 3.38 -1.93 -1.77 115.31 122.40 1k56 h LEU 56 Ca -0.15 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1k56 h LEU 56 Cb 1.12 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1k56 h LEU 56 CO 0.30 0.44 0.05 0.00 0.09 0.00 0.00 178.44 179.32 1k56 h ALA 57 N 1.36 0.21 0.00 1.53 0.00 -2.01 -2.96 119.26 117.40 1k56 h ALA 57 Ca 0.32 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1k56 h ALA 57 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1k56 h ALA 57 CO -0.17 -0.16 -0.28 -0.09 0.00 0.00 0.00 179.25 178.55 1k56 h ARG 58 N 0.08 0.00 -0.40 0.00 2.43 -1.92 -2.77 114.38 111.80 1k56 h ARG 58 Ca 0.05 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1k56 h ARG 58 Cb 0.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1k56 h ARG 58 CO -0.00 0.28 0.26 0.00 -1.51 0.00 0.00 179.97 179.00 1k56 h ALA 59 N 1.72 1.85 -0.02 2.80 0.00 -1.15 -1.59 119.26 122.88 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 0.76 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1k56 h ALA 59 CO 0.04 0.10 -0.22 -1.13 0.00 0.00 0.00 179.25 178.03 1k56 n SER 60 N -4.48 2.51 -4.76 0.00 3.41 -1.09 -2.22 113.62 106.99 1k56 n SER 60 Ca 0.04 -1.76 -0.41 0.00 -0.26 0.00 0.00 58.87 56.49 1k56 n SER 60 Cb 0.16 0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1k56 n SER 60 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1k56 s LYS 61 N -2.22 4.46 -0.20 4.33 2.20 -0.60 -4.74 119.74 122.98 1k56 s LYS 61 Ca 0.24 2.03 -0.09 0.00 -0.36 0.00 0.00 55.97 57.79 1k56 s LYS 61 Cb 0.19 -3.14 -0.05 0.00 -1.51 0.00 0.00 37.83 33.32 1k56 s LYS 61 CO 0.43 -0.07 0.10 -1.21 -0.36 0.00 0.00 175.35 174.24 1k56 s GLU 62 N -1.23 4.08 0.20 4.03 2.02 -1.26 -4.07 118.70 122.47 1k56 s GLU 62 Ca 0.49 -0.28 0.09 0.00 0.02 0.00 0.00 54.97 55.30 1k56 s GLU 62 Cb -0.36 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 1k56 s GLU 62 CO 0.45 0.27 -0.19 0.71 0.02 0.00 0.00 175.26 176.52 1k56 s TYR 63 N 0.42 1.96 0.11 1.61 1.51 -0.15 -4.65 117.35 118.17 1k56 s TYR 63 Ca 0.06 -0.45 -0.35 0.00 -1.01 0.00 0.00 57.07 55.32 1k56 s TYR 63 Cb -0.12 -0.93 -0.15 0.00 -0.11 0.00 0.00 41.96 40.65 1k56 s TYR 63 CO -0.01 0.44 1.47 1.28 -1.11 0.00 0.00 175.55 177.63 1k56 n LEU 64 N -0.06 2.38 0.24 -1.29 4.77 -1.25 -0.88 117.00 120.92 1k56 n LEU 64 Ca -0.10 1.10 0.12 0.00 -0.03 0.00 0.00 56.01 57.10 1k56 n LEU 64 Cb 0.58 -1.30 0.51 0.00 -2.33 0.00 0.00 43.42 40.88 1k56 n LEU 64 CO 0.32 -0.66 0.86 1.55 -1.33 0.00 0.00 177.39 178.14 1k56 h PRO 65 N 5.35 0.00 0.00 3.23 0.13 -1.75 -3.46 132.00 135.49 1k56 h PRO 65 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1k56 h PRO 65 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1k56 h PRO 65 CO 0.84 0.14 0.00 0.00 -0.23 0.00 0.00 178.00 178.75 1k56 n ALA 66 N -2.17 0.00 1.05 -0.56 0.00 -0.12 -2.03 120.51 116.67 1k56 n ALA 66 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.54 1k56 n ALA 66 Cb 0.40 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.37 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 -1.15 0.00 0.31 0.00 7.64 -1.26 -1.60 113.62 117.56 1k56 n SER 67 Ca 0.00 -0.31 0.19 0.00 1.01 0.00 0.00 58.87 59.76 1k56 n SER 67 Cb 0.00 -0.13 1.01 0.00 -1.01 0.00 0.00 64.21 64.08 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 0.17 0.00 0.44 1.35 -1.41 -1.50 112.91 111.96 1k56 h THR 68 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1k56 h THR 68 Cb 0.08 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1k56 h THR 68 CO 0.00 0.02 0.00 0.15 -0.25 0.00 0.00 175.52 175.44 1k56 h PHE 69 N 0.00 0.00 -0.24 4.73 3.57 -1.46 -2.57 116.94 120.97 1k56 h PHE 69 Ca -0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1k56 h PHE 69 Cb 0.14 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1k56 h PHE 69 CO 0.00 0.00 0.23 0.87 -2.23 0.00 0.00 178.31 177.18 1k56 h LYS 70 N 0.00 0.00 0.42 1.11 1.57 -1.49 -1.15 116.57 117.02 1k56 h LYS 70 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1k56 h LYS 70 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1k56 h LYS 70 CO 0.00 0.00 -0.20 0.82 -0.57 0.00 0.00 179.45 179.50 1k56 h ILE 71 N 0.00 0.00 -0.57 1.86 2.04 -1.67 0.05 117.51 119.22 1k56 h ILE 71 Ca 0.12 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1k56 h ILE 71 Cb 0.57 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1k56 h ILE 71 CO -0.00 0.00 0.26 1.55 0.00 0.00 0.00 178.15 179.96 1k56 h PRO 72 N -0.66 0.80 -0.75 2.37 0.13 -1.75 -2.66 132.00 129.47 1k56 h PRO 72 Ca -0.06 -0.10 0.02 0.00 -0.87 0.00 0.00 66.00 64.99 1k56 h PRO 72 Cb 0.43 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.37 1k56 h PRO 72 CO 0.09 0.62 0.49 -0.97 -0.23 0.00 0.00 178.00 178.01 1k56 h ASN 73 N 0.80 0.83 -0.48 1.44 -1.24 -1.19 0.67 115.58 116.40 1k56 h ASN 73 Ca 0.20 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.16 1k56 h ASN 73 Cb 0.09 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 1k56 h ASN 73 CO -0.03 0.59 0.16 0.00 -1.29 0.00 0.00 177.43 176.86 1k56 h ALA 74 N 1.30 0.63 -0.56 1.57 0.00 -0.76 0.12 119.26 121.56 1k56 h ALA 74 Ca 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1k56 h ALA 74 Cb -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1k56 h ALA 74 CO -0.08 0.28 0.22 0.82 0.00 0.00 0.00 179.25 180.48 1k56 h ILE 75 N 0.64 1.23 -0.62 0.00 2.04 -1.09 -1.09 117.51 118.61 1k56 h ILE 75 Ca 0.16 -0.71 -0.08 0.00 1.00 0.00 0.00 64.86 65.22 1k56 h ILE 75 Cb 0.26 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1k56 h ILE 75 CO -0.01 0.27 0.06 0.40 0.00 0.00 0.00 178.15 178.88 1k56 h ILE 76 N 0.77 1.26 -0.67 -0.67 2.04 -0.59 -0.95 117.51 118.70 1k56 h ILE 76 Ca 0.19 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 65.01 1k56 h ILE 76 Cb 0.21 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1k56 h ILE 76 CO -0.01 0.39 0.41 1.23 0.00 0.00 0.00 178.15 180.17 1k56 h GLY 77 N 0.96 0.96 1.07 5.37 0.00 -0.49 -0.69 103.07 110.25 1k56 h GLY 77 Ca 0.18 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.06 1k56 h GLY 77 CO 0.02 0.26 -0.35 1.41 0.00 0.00 0.00 176.54 177.87 1k56 h LEU 78 N 0.80 0.90 -0.81 3.11 3.38 -0.83 -0.39 115.31 121.47 1k56 h LEU 78 Ca 0.27 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1k56 h LEU 78 Cb 0.03 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1k56 h LEU 78 CO -0.11 1.19 0.38 -0.33 0.09 0.00 0.00 178.44 179.66 1k56 h GLU 79 N 0.63 1.17 -0.00 1.13 4.39 -0.85 -2.51 114.58 118.55 1k56 h GLU 79 Ca 0.05 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1k56 h GLU 79 Cb 0.94 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1k56 h GLU 79 CO 0.09 0.91 -0.09 0.25 -1.16 0.00 0.00 179.01 179.00 1k56 n THR 80 N -4.33 0.00 -0.37 1.13 -2.24 -0.29 -4.92 114.28 103.25 1k56 n THR 80 Ca 0.08 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1k56 n THR 80 Cb 0.14 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 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 1.43 1.45 0.30 3.38 0.00 -0.95 -4.92 105.19 105.88 1k56 n GLY 81 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.99 -3.68 1.61 2.07 -1.51 -3.34 116.25 112.38 1k56 h VAL 82 Ca 0.00 -0.29 -0.62 0.00 0.82 0.00 0.00 66.70 66.61 1k56 h VAL 82 Cb 0.00 0.07 -0.14 0.00 -1.52 0.00 0.00 31.29 29.70 1k56 h VAL 82 CO 0.00 0.15 -0.31 -0.63 0.02 0.00 0.00 177.57 176.81 1k56 s ILE 83 N -6.07 5.22 0.00 4.57 1.01 -0.27 -5.00 121.20 120.67 1k56 s ILE 83 Ca -0.13 0.49 -0.25 0.00 0.00 0.00 0.00 60.65 60.76 1k56 s ILE 83 Cb 0.18 -3.65 -0.18 0.00 0.01 0.00 0.00 42.46 38.81 1k56 s ILE 83 CO 0.78 0.21 1.31 0.50 0.00 0.00 0.00 174.94 177.74 1k56 h LYS 84 N 7.96 -0.11 0.00 2.79 3.64 -1.87 -3.39 116.57 125.58 1k56 h LYS 84 Ca -0.34 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1k56 h LYS 84 Cb 1.17 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1k56 h LYS 84 CO 0.65 0.26 0.11 0.27 -2.27 0.00 0.00 179.45 178.46 1k56 n ASN 85 N -4.96 -0.49 -0.36 4.20 0.23 -1.26 -4.99 115.26 107.62 1k56 n ASN 85 Ca -0.08 -1.30 0.28 0.00 -0.53 0.00 0.00 54.58 52.95 1k56 n ASN 85 Cb 0.22 0.80 0.56 0.00 -2.08 0.00 0.00 39.78 39.29 1k56 n ASN 85 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1k56 h GLU 86 N 0.00 0.27 -0.43 -3.83 4.81 -2.00 -2.47 114.58 110.93 1k56 h GLU 86 Ca -0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1k56 h GLU 86 Cb 0.30 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1k56 h GLU 86 CO 0.10 0.18 0.00 0.72 -0.73 0.00 0.00 179.01 179.27 1k56 n HIS 87 N -4.65 0.91 -1.69 0.92 8.25 -1.26 -4.62 115.22 113.08 1k56 n HIS 87 Ca 0.30 -0.63 -0.44 0.00 -0.26 0.00 0.00 57.72 56.68 1k56 n HIS 87 Cb 1.08 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 32.00 1k56 n HIS 87 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1k56 n GLN 88 N 0.48 2.26 -4.12 -0.41 7.27 -0.93 -4.97 117.38 116.96 1k56 n GLN 88 Ca 0.19 0.81 -0.34 0.00 0.07 0.00 0.00 57.00 57.72 1k56 n GLN 88 Cb 0.69 -2.54 -0.10 0.00 2.41 0.00 0.00 30.24 30.70 1k56 n GLN 88 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1k56 s VAL 89 N 0.35 4.57 -0.44 1.69 1.01 -1.26 -3.75 120.40 122.57 1k56 s VAL 89 Ca 0.71 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.40 1k56 s VAL 89 Cb -0.62 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 32.76 1k56 s VAL 89 CO 0.44 0.48 0.44 -0.36 0.00 0.00 0.00 175.10 176.11 1k56 s PHE 90 N 0.23 3.17 0.26 5.22 0.40 0.11 -4.94 117.98 122.42 1k56 s PHE 90 Ca 0.02 -0.48 -0.25 0.00 -0.60 0.00 0.00 56.93 55.62 1k56 s PHE 90 Cb -0.13 -2.98 -0.09 0.00 0.51 0.00 0.00 43.02 40.34 1k56 s PHE 90 CO 0.01 -0.74 0.86 0.15 0.70 0.00 0.00 175.22 176.19 1k56 s LYS 91 N 2.09 4.54 0.07 0.44 -0.14 -1.26 -1.31 119.74 124.17 1k56 s LYS 91 Ca 0.11 1.20 -0.30 0.00 -1.36 0.00 0.00 55.97 55.62 1k56 s LYS 91 Cb -0.18 -2.98 -0.05 0.00 -1.68 0.00 0.00 37.83 32.94 1k56 s LYS 91 CO 0.12 0.40 1.01 -0.46 -0.76 0.00 0.00 175.35 175.66 1k56 s TRP 92 N -1.44 3.70 0.00 3.18 -0.00 -1.26 -4.94 118.94 118.18 1k56 s TRP 92 Ca 0.44 1.69 0.00 0.00 -0.00 0.00 0.00 56.10 58.23 1k56 s TRP 92 Cb -0.20 -3.14 0.00 0.00 -0.00 0.00 0.00 33.47 30.13 1k56 s TRP 92 CO 0.25 -0.11 0.00 -0.40 -0.00 0.00 0.00 176.95 176.68 1k56 n ASP 93 N 3.25 0.00 -3.15 5.86 5.68 -1.26 -4.96 116.55 121.96 1k56 n ASP 93 Ca 0.04 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.37 1k56 n ASP 93 Cb 0.49 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.47 1k56 n ASP 93 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1k56 s GLY 94 N 0.00 -1.12 0.08 6.12 0.00 -1.26 -5.10 107.32 106.04 1k56 s GLY 94 Ca 0.00 1.49 0.14 0.00 0.00 0.00 0.00 44.72 46.34 1k56 s GLY 94 CO 0.00 3.53 0.95 1.70 0.00 0.00 0.00 173.10 179.28 1k56 h LYS 100 N 8.00 0.00 0.00 2.90 1.63 -1.99 -3.54 116.57 123.56 1k56 h LYS 100 Ca -0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1k56 h LYS 100 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1k56 h LYS 100 CO 0.21 0.49 0.00 0.00 -3.45 0.00 0.00 179.45 176.70 1k56 n GLN 101 N -3.06 0.35 -0.13 1.90 0.00 -1.26 -2.81 117.38 112.38 1k56 n GLN 101 Ca -0.08 0.05 0.09 0.00 0.00 0.00 0.00 57.00 57.06 1k56 n GLN 101 Cb 0.90 -1.50 0.29 0.00 0.00 0.00 0.00 30.24 29.93 1k56 n GLN 101 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.06 178.93 1k56 n TRP 102 N -1.29 0.33 -2.09 2.61 -0.00 -1.26 -4.21 117.44 111.54 1k56 n TRP 102 Ca 0.12 -0.16 -0.24 0.00 -0.00 0.00 0.00 57.50 57.21 1k56 n TRP 102 Cb 0.20 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.52 1k56 n TRP 102 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1k56 n GLU 103 N 0.49 3.56 -4.00 5.87 1.02 -1.12 -4.93 120.64 121.52 1k56 n GLU 103 Ca 0.15 -4.20 -0.08 0.00 -0.02 0.00 0.00 57.16 53.02 1k56 n GLU 103 Cb 0.34 -2.26 -0.09 0.00 -0.02 0.00 0.00 31.44 29.41 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 -3.60 0.65 0.41 3.49 1.70 -1.26 -4.98 118.95 115.37 1k56 s ARG 104 Ca 0.50 -1.05 -0.24 0.00 -0.47 0.00 0.00 55.73 54.48 1k56 s ARG 104 Cb 0.41 0.24 -0.09 0.00 -0.57 0.00 0.00 34.95 34.94 1k56 s ARG 104 CO 0.01 -0.15 1.08 -0.51 -1.08 0.00 0.00 175.30 174.65 1k56 s ASP 105 N -2.70 6.62 0.01 -2.89 -0.00 -1.26 -4.19 116.67 112.26 1k56 s ASP 105 Ca 0.03 2.12 -0.04 0.00 -0.00 0.00 0.00 52.55 54.66 1k56 s ASP 105 Cb 0.05 -2.59 -0.01 0.00 -0.00 0.00 0.00 42.92 40.37 1k56 s ASP 105 CO -0.09 -0.60 0.07 -0.76 -0.00 0.00 0.00 175.17 173.80 1k56 s LEU 106 N -2.71 1.83 0.93 1.23 1.43 -0.43 -4.98 118.68 115.98 1k56 s LEU 106 Ca 0.59 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 53.21 1k56 s LEU 106 Cb -0.24 0.44 0.17 0.00 0.03 0.00 0.00 46.19 46.59 1k56 s LEU 106 CO 0.30 -0.34 1.29 0.42 0.23 0.00 0.00 176.35 178.25 1k56 s THR 107 N -1.41 2.00 0.13 5.49 -4.23 -1.26 0.05 115.64 116.41 1k56 s THR 107 Ca -0.15 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.19 1k56 s THR 107 Cb -0.09 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.74 1k56 s THR 107 CO 0.01 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.06 1k56 h LEU 108 N -1.52 0.43 -0.19 4.79 5.85 -1.82 0.78 115.31 123.62 1k56 h LEU 108 Ca -0.45 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.19 1k56 h LEU 108 Cb 1.26 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1k56 h LEU 108 CO 0.44 0.40 0.09 -0.09 -0.34 0.00 0.00 178.44 178.94 1k56 h ARG 109 N 0.42 0.19 -0.35 1.25 2.43 -1.90 -0.35 114.38 116.07 1k56 h ARG 109 Ca 0.12 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.34 1k56 h ARG 109 Cb 0.07 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.52 1k56 h ARG 109 CO -0.02 0.12 -0.04 0.78 -1.51 0.00 0.00 179.97 179.31 1k56 h GLY 110 N 0.19 0.31 1.82 2.80 0.00 -1.84 0.46 103.07 106.81 1k56 h GLY 110 Ca 0.08 0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 1k56 h GLY 110 CO -0.06 -0.11 -0.14 0.00 0.00 0.00 0.00 176.54 176.24 1k56 h ALA 111 N 1.33 1.52 -0.15 3.60 0.00 -0.41 -0.21 119.26 124.93 1k56 h ALA 111 Ca 0.17 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1k56 h ALA 111 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1k56 h ALA 111 CO -0.32 0.35 -0.28 0.82 0.00 0.00 0.00 179.25 179.82 1k56 h ILE 112 N 0.21 1.36 0.00 0.00 2.04 -0.46 -3.37 117.51 117.28 1k56 h ILE 112 Ca 0.04 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1k56 h ILE 112 Cb 0.38 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1k56 h ILE 112 CO 0.02 0.46 -0.36 1.56 0.00 0.00 0.00 178.15 179.83 1k56 h GLN 113 N 0.09 0.00 -6.24 2.37 4.20 -0.53 -3.45 115.11 111.54 1k56 h GLN 113 Ca 0.01 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.15 1k56 h GLN 113 Cb 0.87 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.55 1k56 h GLN 113 CO 0.06 0.00 -0.65 0.08 -0.67 0.00 0.00 178.83 177.65 1k56 s VAL 114 N -3.21 3.46 0.03 -0.54 1.01 -0.13 -5.08 120.40 115.94 1k56 s VAL 114 Ca 0.06 -1.84 -0.30 0.00 0.00 0.00 0.00 61.98 59.90 1k56 s VAL 114 Cb 0.09 -2.82 -0.08 0.00 0.00 0.00 0.00 36.38 33.57 1k56 s VAL 114 CO 0.69 -0.32 1.87 -0.55 0.00 0.00 0.00 175.10 176.79 1k56 s SER 115 N -3.52 6.50 -0.45 3.32 0.15 -1.26 -4.74 113.70 113.71 1k56 s SER 115 Ca 0.30 2.58 0.07 0.00 0.70 0.00 0.00 55.95 59.61 1k56 s SER 115 Cb -0.07 -2.54 0.31 0.00 -1.71 0.00 0.00 66.02 62.02 1k56 s SER 115 CO 0.19 -1.01 1.00 0.00 1.20 0.00 0.00 173.24 174.61 1k56 n ALA 116 N 7.16 -0.26 -0.03 5.45 0.00 -1.26 -4.43 120.51 127.14 1k56 n ALA 116 Ca 0.19 -1.87 -0.10 0.00 0.00 0.00 0.00 53.44 51.66 1k56 n ALA 116 Cb 0.41 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 1k56 n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1k56 h VAL 117 N 2.61 0.99 -0.13 0.00 2.07 -1.93 -1.94 116.25 117.93 1k56 h VAL 117 Ca -0.07 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1k56 h VAL 117 Cb 1.06 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1k56 h VAL 117 CO 0.24 0.03 -0.01 -0.65 0.02 0.00 0.00 177.57 177.19 1k56 h PRO 118 N 0.17 0.18 0.18 1.57 0.11 -1.96 -1.94 132.00 130.32 1k56 h PRO 118 Ca 0.07 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1k56 h PRO 118 Cb 0.01 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1k56 h PRO 118 CO -0.05 0.22 -0.09 0.28 -0.21 0.00 0.00 178.00 178.15 1k56 h VAL 119 N 0.18 0.88 0.00 3.15 2.07 -1.77 -1.74 116.25 119.02 1k56 h VAL 119 Ca 0.04 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 1k56 h VAL 119 Cb 0.15 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1k56 h VAL 119 CO 0.00 0.06 -0.45 -0.26 0.02 0.00 0.00 177.57 176.95 1k56 h PHE 120 N -0.38 0.00 -0.40 1.57 -1.00 -1.51 -1.63 116.94 113.60 1k56 h PHE 120 Ca -0.02 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.73 1k56 h PHE 120 Cb 0.29 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 1k56 h PHE 120 CO -0.03 0.45 0.14 1.96 -1.61 0.00 0.00 178.31 179.22 1k56 h GLN 121 N 0.00 0.61 -0.52 1.51 4.20 -1.21 -1.54 115.11 118.16 1k56 h GLN 121 Ca -0.00 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 1k56 h GLN 121 Cb 0.91 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1k56 h GLN 121 CO 0.06 0.60 -0.10 0.37 -0.67 0.00 0.00 178.83 179.09 1k56 h GLN 122 N 0.50 0.98 -0.18 1.46 5.75 -1.11 -1.19 115.11 121.33 1k56 h GLN 122 Ca 0.13 -0.37 0.01 0.00 -0.15 0.00 0.00 58.65 58.28 1k56 h GLN 122 Cb 0.24 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1k56 h GLN 122 CO -0.01 1.04 0.08 0.82 -2.65 0.00 0.00 178.83 178.12 1k56 h ILE 123 N 0.85 0.99 -0.76 2.39 2.04 -1.16 -1.54 117.51 120.31 1k56 h ILE 123 Ca 0.13 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1k56 h ILE 123 Cb 0.66 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1k56 h ILE 123 CO 0.05 0.03 0.43 0.00 0.00 0.00 0.00 178.15 178.66 1k56 h ALA 124 N 1.09 0.98 -0.67 1.87 0.00 -0.96 -0.39 119.26 121.18 1k56 h ALA 124 Ca 0.07 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1k56 h ALA 124 Cb 0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1k56 h ALA 124 CO -0.05 0.47 0.42 0.00 0.00 0.00 0.00 179.25 180.09 1k56 h ARG 125 N 1.05 0.82 -0.20 0.00 3.08 -1.05 -1.09 114.38 116.99 1k56 h ARG 125 Ca 0.27 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 60.12 1k56 h ARG 125 Cb 0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1k56 h ARG 125 CO -0.05 0.54 -0.52 0.93 -1.07 0.00 0.00 179.97 179.80 1k56 h GLU 126 N 0.84 0.56 -0.18 0.04 5.08 -0.75 -2.95 114.58 117.23 1k56 h GLU 126 Ca 0.26 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1k56 h GLU 126 Cb -0.01 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1k56 h GLU 126 CO -0.09 0.95 0.11 0.28 -1.00 0.00 0.00 179.01 179.26 1k56 h VAL 127 N 0.44 1.06 0.00 3.13 2.07 -0.93 -3.50 116.25 118.53 1k56 h VAL 127 Ca 0.01 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1k56 h VAL 127 Cb 1.06 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1k56 h VAL 127 CO 0.10 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.36 1k56 n GLY 128 N -1.08 -1.87 0.20 2.17 0.00 -0.42 -4.35 105.19 99.84 1k56 n GLY 128 Ca -0.04 -1.46 -0.06 0.00 0.00 0.00 0.00 46.02 44.46 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 0.55 -0.09 1.61 4.81 -1.88 -1.05 114.58 118.54 1k56 h GLU 129 Ca 0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1k56 h GLU 129 Cb 0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1k56 h GLU 129 CO 0.00 0.37 -0.00 0.28 -0.73 0.00 0.00 179.01 178.92 1k56 h VAL 130 N 0.57 0.94 -0.43 0.32 2.07 -2.00 0.29 116.25 118.01 1k56 h VAL 130 Ca 0.20 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.59 1k56 h VAL 130 Cb 0.02 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1k56 h VAL 130 CO -0.09 0.00 -0.20 0.03 0.02 0.00 0.00 177.57 177.33 1k56 h ARG 131 N 0.02 0.90 -0.39 1.57 3.08 -1.73 -2.31 114.38 115.53 1k56 h ARG 131 Ca 0.04 -0.39 0.04 0.00 0.07 0.00 0.00 59.98 59.74 1k56 h ARG 131 Cb 0.05 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1k56 h ARG 131 CO -0.07 1.04 0.15 1.98 -1.07 0.00 0.00 179.97 182.00 1k56 h MET 132 N 0.73 0.31 -0.53 0.04 4.05 -0.83 -0.93 114.93 117.77 1k56 h MET 132 Ca 0.10 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1k56 h MET 132 Cb 0.77 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.46 1k56 h MET 132 CO 0.06 0.20 0.32 0.37 0.23 0.00 0.00 176.91 178.10 1k56 h GLN 133 N 0.32 0.63 -0.21 0.39 5.75 -0.87 -1.27 115.11 119.85 1k56 h GLN 133 Ca 0.18 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.66 1k56 h GLN 133 Cb 0.14 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1k56 h GLN 133 CO -0.17 0.42 0.07 -0.22 -2.65 0.00 0.00 178.83 176.28 1k56 h LYS 134 N 0.65 0.17 -0.45 1.69 3.64 -0.82 -2.23 116.57 119.22 1k56 h LYS 134 Ca 0.21 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1k56 h LYS 134 Cb -0.00 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1k56 h LYS 134 CO -0.08 0.11 -0.11 1.88 -2.27 0.00 0.00 179.45 178.98 1k56 h TYR 135 N 0.17 0.89 -0.03 1.91 -1.99 -1.01 -1.70 116.97 115.21 1k56 h TYR 135 Ca 0.09 -0.17 -0.08 0.00 2.00 0.00 0.00 58.73 60.58 1k56 h TYR 135 Cb 0.06 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.55 1k56 h TYR 135 CO -0.12 0.88 -0.35 -0.07 -0.00 0.00 0.00 178.16 178.49 1k56 h LEU 136 N 0.73 0.05 -0.17 3.88 3.38 -1.04 -0.11 115.31 122.03 1k56 h LEU 136 Ca 0.12 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1k56 h LEU 136 Cb 0.60 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1k56 h LEU 136 CO 0.04 0.40 -0.01 0.50 0.09 0.00 0.00 178.44 179.46 1k56 h LYS 137 N 0.04 0.30 -1.00 1.13 3.64 -1.13 -1.40 116.57 118.15 1k56 h LYS 137 Ca 0.00 -0.10 0.10 0.00 -1.27 0.00 0.00 60.65 59.38 1k56 h LYS 137 Cb 0.65 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.37 1k56 h LYS 137 CO 0.05 0.53 0.64 0.87 -2.27 0.00 0.00 179.45 179.26 1k56 h LYS 138 N 0.04 1.03 -0.01 1.90 1.57 -0.77 -2.37 116.57 117.95 1k56 h LYS 138 Ca 0.05 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1k56 h LYS 138 Cb 0.40 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1k56 h LYS 138 CO 0.01 0.68 -0.13 1.19 -0.57 0.00 0.00 179.45 180.63 1k56 n PHE 139 N -4.56 0.00 -3.79 -1.35 0.99 -0.10 -4.76 117.46 103.89 1k56 n PHE 139 Ca 0.17 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.39 1k56 n PHE 139 Cb 0.28 -0.13 0.01 0.00 -1.00 0.00 0.00 39.48 38.65 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 -0.71 -1.18 -4.42 4.37 7.64 -0.78 -4.86 113.62 113.68 1k56 n SER 140 Ca 0.15 -0.90 -0.45 0.00 1.01 0.00 0.00 58.87 58.68 1k56 n SER 140 Cb 0.30 -3.64 -0.03 0.00 -1.01 0.00 0.00 64.21 59.83 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 -3.77 3.25 0.00 1.43 5.04 -0.60 -4.97 117.35 117.73 1k56 s TYR 141 Ca 0.04 -1.48 0.00 0.00 -2.44 0.00 0.00 57.07 53.19 1k56 s TYR 141 Cb -0.01 -4.16 0.00 0.00 0.35 0.00 0.00 41.96 38.14 1k56 s TYR 141 CO 0.84 -1.37 0.00 0.41 -1.34 0.00 0.00 175.55 174.10 1k56 n GLY 142 N 5.12 2.55 0.00 8.97 0.00 -1.26 -2.32 105.19 118.25 1k56 n GLY 142 Ca 0.19 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 0.74 0.00 -2.00 1.61 0.23 0.11 -4.89 115.26 111.06 1k56 n ASN 143 Ca 0.00 -0.48 -0.17 0.00 -0.53 0.00 0.00 54.58 53.40 1k56 n ASN 143 Cb 0.00 -0.17 -0.04 0.00 -2.08 0.00 0.00 39.78 37.50 1k56 n ASN 143 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1k56 n GLN 144 N -1.17 -1.69 -3.32 -3.83 6.02 -0.98 -4.93 117.38 107.48 1k56 n GLN 144 Ca 0.18 0.88 -0.43 0.00 -0.01 0.00 0.00 57.00 57.62 1k56 n GLN 144 Cb 0.18 -5.37 -0.09 0.00 1.02 0.00 0.00 30.24 25.98 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 -2.21 6.19 -0.23 1.08 3.84 -1.26 -4.92 114.94 117.44 1k56 s ASN 145 Ca 0.00 -0.68 0.14 0.00 0.21 0.00 0.00 52.86 52.53 1k56 s ASN 145 Cb 0.00 -2.22 0.59 0.00 -0.55 0.00 0.00 41.25 39.06 1k56 s ASN 145 CO 0.00 -0.58 1.52 2.30 -2.79 0.00 0.00 177.10 177.55 1k56 n ILE 146 N 5.44 2.48 -0.91 -5.21 -5.35 -1.26 -1.79 119.36 112.76 1k56 n ILE 146 Ca -0.07 -1.94 -0.30 0.00 -0.27 0.00 0.00 62.75 60.16 1k56 n ILE 146 Cb 0.47 -0.29 0.16 0.00 -1.74 0.00 0.00 39.64 38.24 1k56 n ILE 146 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1k56 s SER 147 N -1.80 3.08 0.00 7.28 0.01 -1.26 -4.29 113.70 116.72 1k56 s SER 147 Ca 0.46 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.57 1k56 s SER 147 Cb 0.37 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1k56 s SER 147 CO 0.09 -2.95 0.00 0.61 0.41 0.00 0.00 173.24 171.40 1k56 n GLY 148 N -0.30 3.26 0.00 3.44 0.00 -1.26 -2.89 105.19 107.44 1k56 n GLY 148 Ca 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 3.62 0.30 -0.02 0.00 -1.26 -4.97 105.19 102.86 1k56 n GLY 149 Ca 0.00 -0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 0.42 -0.63 -0.61 6.09 -1.93 -1.68 117.51 119.17 1k56 h ILE 150 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 1k56 h ILE 150 Cb 0.00 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.37 1k56 h ILE 150 CO 0.00 0.02 0.00 -0.90 -3.07 0.00 0.00 178.15 174.20 1k56 n ASP 151 N -3.64 4.17 -0.04 2.19 5.68 -1.26 -4.55 116.55 119.09 1k56 n ASP 151 Ca -0.03 -2.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.03 1k56 n ASP 151 Cb 0.12 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 1k56 n ASP 151 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1k56 n LYS 152 N 1.19 0.00 0.24 0.11 2.85 -0.71 -4.77 118.16 117.06 1k56 n LYS 152 Ca 0.23 -0.27 0.09 0.00 -1.05 0.00 0.00 58.31 57.32 1k56 n LYS 152 Cb 0.72 -0.25 0.62 0.00 -0.65 0.00 0.00 35.03 35.47 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 0.00 0.00 5.58 -0.00 -1.59 0.16 116.94 121.09 1k56 h PHE 153 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1k56 h PHE 153 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.96 1k56 h PHE 153 CO -0.01 0.16 -0.08 -2.67 -0.00 0.00 0.00 178.31 175.72 1k56 n TRP 154 N -3.94 0.03 -0.04 6.09 2.14 -1.26 -2.65 117.44 117.82 1k56 n TRP 154 Ca -0.02 0.01 -0.07 0.00 2.07 0.00 0.00 57.50 59.49 1k56 n TRP 154 Cb 0.25 -0.48 -0.03 0.00 -0.81 0.00 0.00 31.31 30.24 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 -1.53 1.63 0.00 5.67 4.77 -0.64 -0.94 117.00 125.95 1k56 n LEU 155 Ca 0.07 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1k56 n LEU 155 Cb 0.34 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1k56 n LEU 155 CO 0.28 0.36 0.22 -0.62 -1.33 0.00 0.00 177.39 176.31 1k56 n GLU 156 N -3.05 -0.55 0.00 3.23 1.02 -0.05 -4.91 120.64 116.33 1k56 n GLU 156 Ca -0.14 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.53 1k56 n GLU 156 Cb 0.62 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 31.13 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 -0.03 1.90 0.87 0.62 0.00 -1.08 -4.98 105.19 102.49 1k56 n GLY 157 Ca 0.00 -1.86 0.10 0.00 0.00 0.00 0.00 46.02 44.25 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 1.99 -2.36 1.61 6.02 -1.14 -4.95 117.38 118.55 1k56 n GLN 158 Ca 0.00 -1.88 -0.40 0.00 -0.01 0.00 0.00 57.00 54.71 1k56 n GLN 158 Cb 0.00 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 1k56 n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1k56 s LEU 159 N -1.46 4.46 -0.02 1.08 2.96 -0.74 -4.65 118.68 120.32 1k56 s LEU 159 Ca 0.28 2.38 -0.04 0.00 -0.22 0.00 0.00 54.13 56.52 1k56 s LEU 159 Cb 0.18 -3.70 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1k56 s LEU 159 CO 0.25 -0.32 0.10 -0.13 -1.32 0.00 0.00 176.35 174.93 1k56 s ARG 160 N -1.68 0.27 -0.10 1.98 1.81 -1.26 -3.87 118.95 116.10 1k56 s ARG 160 Ca 0.48 -0.15 -0.14 0.00 -1.72 0.00 0.00 55.73 54.20 1k56 s ARG 160 Cb -0.33 0.11 0.03 0.00 -0.45 0.00 0.00 34.95 34.31 1k56 s ARG 160 CO 0.43 -0.05 0.36 -1.50 -0.68 0.00 0.00 175.30 173.86 1k56 s ILE 161 N -0.64 0.02 0.46 1.52 2.07 -0.05 -0.71 121.20 123.86 1k56 s ILE 161 Ca -0.07 -0.14 -0.00 0.00 -1.41 0.00 0.00 60.65 59.03 1k56 s ILE 161 Cb -0.04 -0.56 -0.00 0.00 0.13 0.00 0.00 42.46 41.98 1k56 s ILE 161 CO 0.00 -0.07 0.69 -0.94 -1.91 0.00 0.00 174.94 172.71 1k56 s SER 162 N -0.27 5.83 0.29 4.50 1.04 -1.26 -0.98 113.70 122.85 1k56 s SER 162 Ca -0.04 0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.69 1k56 s SER 162 Cb -0.03 -1.56 0.42 0.00 0.10 0.00 0.00 66.02 64.95 1k56 s SER 162 CO 0.02 -0.72 1.93 0.00 0.98 0.00 0.00 173.24 175.45 1k56 h ALA 163 N 0.36 1.35 -0.61 5.32 0.00 -1.70 -0.69 119.26 123.28 1k56 h ALA 163 Ca -0.46 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 1k56 h ALA 163 Cb 1.25 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1k56 h ALA 163 CO 0.58 0.55 0.11 0.28 0.00 0.00 0.00 179.25 180.76 1k56 h VAL 164 N 1.05 1.26 -0.23 0.00 2.07 -1.81 -1.32 116.25 117.27 1k56 h VAL 164 Ca 0.27 -0.99 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 1k56 h VAL 164 Cb -0.02 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1k56 h VAL 164 CO -0.05 0.37 -0.37 -1.13 0.02 0.00 0.00 177.57 176.40 1k56 h ASN 165 N 0.92 0.54 -0.30 0.57 -0.73 -1.72 -1.41 115.58 113.44 1k56 h ASN 165 Ca 0.19 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1k56 h ASN 165 Cb 0.41 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 1k56 h ASN 165 CO 0.01 0.86 0.19 1.56 -0.37 0.00 0.00 177.43 179.68 1k56 h GLN 166 N 0.43 0.40 -0.79 6.67 1.08 -0.65 -0.08 115.11 122.18 1k56 h GLN 166 Ca 0.04 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1k56 h GLN 166 Cb 0.85 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 28.16 1k56 h GLN 166 CO 0.07 0.29 0.37 0.28 -0.95 0.00 0.00 178.83 178.89 1k56 h VAL 167 N 0.39 1.25 -0.43 -0.54 2.07 -0.81 -0.21 116.25 117.97 1k56 h VAL 167 Ca 0.11 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1k56 h VAL 167 Cb -0.01 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1k56 h VAL 167 CO -0.02 0.30 0.26 -0.33 0.02 0.00 0.00 177.57 177.80 1k56 h GLU 168 N 1.11 0.58 -0.40 1.57 5.08 -1.00 -0.37 114.58 121.16 1k56 h GLU 168 Ca 0.27 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1k56 h GLU 168 Cb 0.13 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1k56 h GLU 168 CO -0.03 0.43 0.22 0.35 -1.00 0.00 0.00 179.01 178.97 1k56 h PHE 169 N 0.57 0.56 -0.49 4.33 3.04 -0.76 -1.54 116.94 122.65 1k56 h PHE 169 Ca 0.16 -0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.98 1k56 h PHE 169 Cb -0.01 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.30 1k56 h PHE 169 CO -0.03 0.44 -0.11 -0.07 -2.02 0.00 0.00 178.31 176.51 1k56 h LEU 170 N 0.52 0.90 -0.34 0.59 3.38 -0.85 -0.42 115.31 119.09 1k56 h LEU 170 Ca 0.14 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1k56 h LEU 170 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1k56 h LEU 170 CO -0.02 1.03 0.18 -0.08 0.09 0.00 0.00 178.44 179.64 1k56 h GLU 171 N 0.81 0.48 -0.45 1.13 4.81 -0.93 0.15 114.58 120.58 1k56 h GLU 171 Ca 0.13 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1k56 h GLU 171 Cb 0.64 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.86 1k56 h GLU 171 CO 0.04 0.41 0.05 0.77 -0.73 0.00 0.00 179.01 179.55 1k56 h SER 172 N 0.43 -0.09 -0.39 1.04 0.02 -0.92 -0.74 113.55 112.89 1k56 h SER 172 Ca 0.12 0.09 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1k56 h SER 172 Cb 0.07 0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 1k56 h SER 172 CO -0.02 -0.01 0.13 0.25 -1.14 0.00 0.00 176.83 176.04 1k56 h LEU 173 N 0.17 0.12 -0.72 5.07 5.85 -0.63 0.90 115.31 126.07 1k56 h LEU 173 Ca 0.22 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.10 1k56 h LEU 173 Cb 0.31 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 1k56 h LEU 173 CO -0.33 0.10 0.34 0.22 -0.34 0.00 0.00 178.44 178.44 1k56 h TYR 174 N 0.28 0.60 -0.04 1.25 3.20 -0.25 -1.71 116.97 120.30 1k56 h TYR 174 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1k56 h TYR 174 Cb 0.18 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1k56 h TYR 174 CO -0.16 0.18 0.00 1.28 -1.64 0.00 0.00 178.16 177.83 1k56 n LEU 175 N -4.90 1.08 -2.46 2.82 4.32 -0.33 -4.91 117.00 112.62 1k56 n LEU 175 Ca 0.12 -0.38 -0.19 0.00 -0.02 0.00 0.00 56.01 55.53 1k56 n LEU 175 Cb 0.31 -0.02 0.02 0.00 -1.62 0.00 0.00 43.42 42.11 1k56 n LEU 175 CO 0.23 0.19 -0.09 0.59 -1.22 0.00 0.00 177.39 177.09 1k56 n ASN 176 N -0.14 -5.52 -0.95 -1.43 3.02 -0.65 -4.91 115.26 104.69 1k56 n ASN 176 Ca 0.19 -0.16 0.12 0.00 -0.03 0.00 0.00 54.58 54.70 1k56 n ASN 176 Cb 0.27 -4.44 0.10 0.00 -0.61 0.00 0.00 39.78 35.11 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 -3.30 2.26 -1.79 3.52 5.02 0.23 -4.83 118.16 119.27 1k56 n LYS 177 Ca -0.15 -1.91 -0.33 0.00 -2.02 0.00 0.00 58.31 53.90 1k56 n LYS 177 Cb 0.63 -1.45 0.04 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.94 3.41 -1.06 -0.35 1.43 -1.24 -4.88 118.68 114.05 1k56 s LEU 178 Ca 0.28 2.00 -0.18 0.00 -1.03 0.00 0.00 54.13 55.20 1k56 s LEU 178 Cb 0.20 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.79 1k56 s LEU 178 CO 0.29 -1.59 2.08 -1.20 0.23 0.00 0.00 176.35 176.17 1k56 n SER 179 N -2.35 3.39 -3.75 2.29 7.64 -1.26 -4.76 113.62 114.82 1k56 n SER 179 Ca 0.10 -2.71 -0.09 0.00 1.01 0.00 0.00 58.87 57.18 1k56 n SER 179 Cb 0.52 -1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 62.37 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 4.15 -1.05 0.64 -0.43 0.00 -1.26 -5.04 121.76 118.77 1k56 s ALA 180 Ca 0.53 -0.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.11 1k56 s ALA 180 Cb 0.14 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 24.13 1k56 s ALA 180 CO 0.03 -0.87 1.20 -1.54 0.00 0.00 0.00 175.76 174.58 1k56 s SER 181 N -2.88 4.90 0.25 0.00 1.04 -1.26 -4.88 113.70 110.87 1k56 s SER 181 Ca 0.10 2.34 -0.05 0.00 0.48 0.00 0.00 55.95 58.82 1k56 s SER 181 Cb -0.02 -2.59 0.29 0.00 0.10 0.00 0.00 66.02 63.80 1k56 s SER 181 CO -0.00 -1.78 1.84 0.50 0.98 0.00 0.00 173.24 174.77 1k56 h LYS 182 N 0.46 1.09 -0.38 4.02 3.64 -1.93 -2.06 116.57 121.41 1k56 h LYS 182 Ca -0.49 -0.16 0.08 0.00 -1.27 0.00 0.00 60.65 58.80 1k56 h LYS 182 Cb 1.29 -0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 32.83 1k56 h LYS 182 CO 0.53 0.85 -0.26 1.49 -2.27 0.00 0.00 179.45 179.80 1k56 h GLU 183 N 1.07 -0.19 -0.23 1.90 4.81 -1.99 -0.09 114.58 119.86 1k56 h GLU 183 Ca 0.26 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 1k56 h GLU 183 Cb 0.14 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1k56 h GLU 183 CO -0.03 -0.13 -0.34 -0.91 -0.73 0.00 0.00 179.01 176.87 1k56 h ASN 184 N -0.20 0.51 -0.51 1.04 2.35 -1.85 -1.19 115.58 115.74 1k56 h ASN 184 Ca 0.18 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1k56 h ASN 184 Cb 0.48 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1k56 h ASN 184 CO -0.50 0.82 0.30 1.56 -1.65 0.00 0.00 177.43 177.96 1k56 h GLN 185 N 0.42 0.70 -0.70 0.81 4.20 -0.89 -2.24 115.11 117.41 1k56 h GLN 185 Ca 0.05 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1k56 h GLN 185 Cb 0.80 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 1k56 h GLN 185 CO 0.07 0.53 0.39 -0.07 -0.67 0.00 0.00 178.83 179.07 1k56 h LEU 186 N 0.68 0.88 -0.28 1.46 3.38 -0.76 -0.54 115.31 120.13 1k56 h LEU 186 Ca 0.18 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1k56 h LEU 186 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1k56 h LEU 186 CO -0.03 0.71 0.13 0.40 0.09 0.00 0.00 178.44 179.74 1k56 h ILE 187 N 0.97 0.98 -0.35 1.22 2.04 -1.07 -1.64 117.51 119.66 1k56 h ILE 187 Ca 0.25 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.88 1k56 h ILE 187 Cb 0.03 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1k56 h ILE 187 CO -0.04 0.05 -0.30 0.58 0.00 0.00 0.00 178.15 178.44 1k56 h VAL 188 N 0.28 1.28 -0.33 1.67 2.07 -1.20 -2.59 116.25 117.43 1k56 h VAL 188 Ca 0.11 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1k56 h VAL 188 Cb 0.04 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1k56 h VAL 188 CO -0.09 0.48 0.17 0.11 0.02 0.00 0.00 177.57 178.26 1k56 h LYS 189 N 0.64 0.46 -0.81 1.57 1.57 -0.86 -2.10 116.57 117.04 1k56 h LYS 189 Ca 0.07 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1k56 h LYS 189 Cb 0.83 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.01 1k56 h LYS 189 CO 0.07 0.41 0.53 1.49 -0.57 0.00 0.00 179.45 181.38 1k56 h GLU 190 N 0.40 1.03 0.00 3.15 4.81 -1.15 -0.99 114.58 121.84 1k56 h GLU 190 Ca 0.11 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1k56 h GLU 190 Cb 0.09 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1k56 h GLU 190 CO -0.02 0.68 0.00 0.00 -0.73 0.00 0.00 179.01 178.95 1k56 h ALA 191 N 1.51 1.00 -0.02 2.92 0.00 -1.00 -2.02 119.26 121.65 1k56 h ALA 191 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1k56 h ALA 191 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1k56 h ALA 191 CO -0.07 0.00 -0.11 1.28 0.00 0.00 0.00 179.25 180.35 1k56 n LEU 192 N -2.32 2.47 -4.69 0.00 4.77 -0.38 -4.76 117.00 112.08 1k56 n LEU 192 Ca 0.00 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.72 1k56 n LEU 192 Cb 0.13 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1k56 n LEU 192 CO 0.15 0.42 1.28 -0.69 -1.33 0.00 0.00 177.39 177.22 1k56 s VAL 193 N -2.12 3.20 0.00 4.08 1.01 -0.76 -1.44 120.40 124.37 1k56 s VAL 193 Ca 0.27 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1k56 s VAL 193 Cb 0.20 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1k56 s VAL 193 CO 0.37 -0.00 0.00 0.35 0.00 0.00 0.00 175.10 175.82 1k56 n THR 194 N 4.71 0.00 -3.81 3.92 -2.24 0.01 -4.93 114.28 111.94 1k56 n THR 194 Ca 0.15 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.62 1k56 n THR 194 Cb 0.41 0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 69.21 1k56 n THR 194 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1k56 s GLU 195 N -1.38 0.34 -0.14 -0.78 0.41 -1.19 -4.99 118.70 110.96 1k56 s GLU 195 Ca 0.00 0.11 -0.07 0.00 -0.41 0.00 0.00 54.97 54.60 1k56 s GLU 195 Cb 0.00 0.16 0.06 0.00 -1.78 0.00 0.00 34.13 32.57 1k56 s GLU 195 CO 0.00 -0.06 0.33 0.00 -0.49 0.00 0.00 175.26 175.04 1k56 s ALA 196 N -0.33 -0.81 0.20 5.21 0.00 -1.26 -1.35 121.76 123.42 1k56 s ALA 196 Ca -0.04 1.24 -0.07 0.00 0.00 0.00 0.00 51.96 53.09 1k56 s ALA 196 Cb -0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 1k56 s ALA 196 CO 0.01 -0.38 0.27 0.00 0.00 0.00 0.00 175.76 175.66 1k56 s ALA 197 N 1.71 0.41 0.25 0.00 0.00 0.31 -5.01 121.76 119.43 1k56 s ALA 197 Ca -0.06 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 1k56 s ALA 197 Cb -0.10 1.11 0.51 0.00 0.00 0.00 0.00 23.12 24.64 1k56 s ALA 197 CO -0.11 -0.68 1.71 -1.35 0.00 0.00 0.00 175.76 175.34 1k56 h PRO 198 N 2.51 0.38 0.00 0.00 0.11 -2.02 -2.72 132.00 130.27 1k56 h PRO 198 Ca -0.32 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1k56 h PRO 198 Cb 1.24 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1k56 h PRO 198 CO 0.47 0.25 -0.51 0.39 -0.21 0.00 0.00 178.00 178.40 1k56 n GLU 199 N -5.05 1.52 -3.44 1.05 1.02 -1.26 -4.95 120.64 109.53 1k56 n GLU 199 Ca 0.16 -3.23 -0.07 0.00 -0.02 0.00 0.00 57.16 54.00 1k56 n GLU 199 Cb 0.47 -1.55 -0.08 0.00 -0.02 0.00 0.00 31.44 30.27 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 -3.10 -0.93 -0.05 -0.32 6.14 -1.03 -1.11 117.35 116.96 1k56 s TYR 200 Ca 0.38 1.23 0.02 0.00 0.64 0.00 0.00 57.07 59.34 1k56 s TYR 200 Cb 0.37 0.21 0.01 0.00 0.42 0.00 0.00 41.96 42.97 1k56 s TYR 200 CO -0.07 -0.66 -0.10 -1.17 0.64 0.00 0.00 175.55 174.19 1k56 s LEU 201 N 2.62 1.66 -0.10 6.97 2.96 -0.19 -0.53 118.68 132.07 1k56 s LEU 201 Ca 0.08 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.79 1k56 s LEU 201 Cb -0.14 -0.69 0.00 0.00 0.50 0.00 0.00 46.19 45.86 1k56 s LEU 201 CO -0.15 0.04 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.00 1k56 s VAL 202 N 0.49 2.01 -0.19 1.68 1.01 -0.46 -0.64 120.40 124.30 1k56 s VAL 202 Ca -0.09 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 1k56 s VAL 202 Cb -0.13 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1k56 s VAL 202 CO 0.02 0.55 -0.02 -1.00 0.00 0.00 0.00 175.10 174.65 1k56 s HIS 203 N 0.41 3.02 0.17 5.22 3.76 -0.64 -0.81 115.29 126.43 1k56 s HIS 203 Ca -0.17 -0.48 -0.20 0.00 -0.15 0.00 0.00 55.06 54.05 1k56 s HIS 203 Cb -0.18 -2.05 0.05 0.00 1.11 0.00 0.00 32.58 31.52 1k56 s HIS 203 CO 0.07 -0.23 0.56 -1.54 -0.85 0.00 0.00 174.74 172.76 1k56 s SER 204 N 0.88 -0.41 -0.14 1.40 1.04 -0.52 -0.74 113.70 115.21 1k56 s SER 204 Ca 0.00 -0.22 -0.10 0.00 0.48 0.00 0.00 55.95 56.11 1k56 s SER 204 Cb -0.14 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.61 1k56 s SER 204 CO 0.02 -1.01 0.34 -0.75 0.98 0.00 0.00 173.24 172.82 1k56 s LYS 205 N -3.80 0.36 0.45 4.02 2.47 0.01 -4.83 119.74 118.42 1k56 s LYS 205 Ca 0.04 0.58 -0.00 0.00 -1.56 0.00 0.00 55.97 55.02 1k56 s LYS 205 Cb -0.01 0.07 -0.01 0.00 -1.46 0.00 0.00 37.83 36.43 1k56 s LYS 205 CO -0.09 -0.10 0.68 0.95 0.16 0.00 0.00 175.35 176.95 1k56 s THR 206 N 0.73 4.12 0.01 3.43 -4.23 -1.26 -1.54 115.64 116.89 1k56 s THR 206 Ca -0.04 -0.43 -0.16 0.00 -1.18 0.00 0.00 61.69 59.88 1k56 s THR 206 Cb -0.06 -3.53 0.03 0.00 1.34 0.00 0.00 72.50 70.28 1k56 s THR 206 CO -0.05 -0.39 0.35 -0.83 -0.54 0.00 0.00 174.62 173.16 1k56 s GLY 207 N -4.20 -0.18 -0.29 3.99 0.00 -0.83 -3.34 107.32 102.46 1k56 s GLY 207 Ca 0.48 0.26 -0.12 0.00 0.00 0.00 0.00 44.72 45.34 1k56 s GLY 207 CO 0.38 0.04 0.69 -0.12 0.00 0.00 0.00 173.10 174.09 1k56 s PHE 208 N -1.94 -1.22 -0.61 1.90 5.36 -1.26 -0.48 117.98 119.73 1k56 s PHE 208 Ca -0.09 2.19 0.24 0.00 -0.96 0.00 0.00 56.93 58.31 1k56 s PHE 208 Cb -0.03 0.73 0.44 0.00 -0.34 0.00 0.00 43.02 43.82 1k56 s PHE 208 CO 0.01 -0.60 1.44 0.66 -1.46 0.00 0.00 175.22 175.27 1k56 h SER 209 N 7.67 0.00 -4.70 6.13 4.64 -1.48 -3.44 113.55 122.37 1k56 h SER 209 Ca -0.21 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 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 0.12 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 1k56 n GLY 210 N 1.29 3.12 3.70 -0.77 0.00 -1.26 -4.94 105.19 106.33 1k56 n GLY 210 Ca 0.04 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1k56 n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k56 s VAL 211 N -2.30 4.74 0.00 1.61 1.01 -1.26 -3.76 120.40 120.44 1k56 s VAL 211 Ca 0.00 1.98 0.00 0.00 0.00 0.00 0.00 61.98 63.96 1k56 s VAL 211 Cb 0.00 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1k56 s VAL 211 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1k56 n GLY 212 N 3.00 5.49 4.00 4.51 0.00 -0.83 -4.76 105.19 116.61 1k56 n GLY 212 Ca 0.07 -2.08 -0.18 0.00 0.00 0.00 0.00 46.02 43.83 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 0.80 2.72 0.22 2.61 -4.23 -1.03 -4.25 115.64 112.48 1k56 s THR 213 Ca 0.00 -1.04 -0.08 0.00 -1.18 0.00 0.00 61.69 59.40 1k56 s THR 213 Cb 0.00 -2.75 0.18 0.00 1.34 0.00 0.00 72.50 71.27 1k56 s THR 213 CO 0.00 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 175.85 1k56 h GLU 214 N 0.55 0.91 0.00 3.99 4.81 -1.93 0.46 114.58 123.36 1k56 h GLU 214 Ca -0.37 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 58.61 1k56 h GLU 214 Cb 1.28 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 1k56 h GLU 214 CO 0.45 0.60 -0.90 0.66 -0.73 0.00 0.00 179.01 179.09 1k56 h SER 215 N 0.94 0.00 -2.12 1.04 4.64 -2.00 -3.37 113.55 112.68 1k56 h SER 215 Ca 0.33 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.08 1k56 h SER 215 Cb 0.07 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.76 1k56 h SER 215 CO -0.14 0.90 -0.85 0.59 -0.87 0.00 0.00 176.83 176.47 1k56 n ASN 216 N -3.46 2.34 -4.80 4.97 3.02 -0.95 -5.12 115.26 111.25 1k56 n ASN 216 Ca -0.00 -3.19 -0.31 0.00 -0.03 0.00 0.00 54.58 51.04 1k56 n ASN 216 Cb 0.86 -0.63 0.05 0.00 -0.61 0.00 0.00 39.78 39.45 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 -2.25 2.88 0.95 3.52 0.04 0.11 -2.47 135.00 137.77 1k56 s PRO 217 Ca 0.40 1.06 -0.15 0.00 0.04 0.00 0.00 61.00 62.35 1k56 s PRO 217 Cb 0.21 -1.98 0.21 0.00 0.04 0.00 0.00 34.50 32.98 1k56 s PRO 217 CO -0.07 -1.15 1.31 0.20 0.04 0.00 0.00 177.00 177.32 1k56 s GLY 218 N -3.48 1.80 -0.02 0.56 0.00 -0.70 -4.78 107.32 100.71 1k56 s GLY 218 Ca 0.60 -1.34 0.05 0.00 0.00 0.00 0.00 44.72 44.03 1k56 s GLY 218 CO 0.51 -0.56 -0.15 0.54 0.00 0.00 0.00 173.10 173.44 1k56 s VAL 219 N -3.85 1.23 -0.04 1.40 0.11 -1.26 -1.29 120.40 116.70 1k56 s VAL 219 Ca 0.75 -0.66 0.05 0.00 -2.93 0.00 0.00 61.98 59.19 1k56 s VAL 219 Cb -0.03 -1.03 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1k56 s VAL 219 CO 0.53 0.35 -0.19 0.00 -3.33 0.00 0.00 175.10 172.46 1k56 s ALA 220 N -0.30 1.64 0.14 1.54 0.00 -0.77 -1.07 121.76 122.93 1k56 s ALA 220 Ca 0.05 -0.78 0.10 0.00 0.00 0.00 0.00 51.96 51.33 1k56 s ALA 220 Cb -0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1k56 s ALA 220 CO -0.00 0.33 -0.23 -1.58 0.00 0.00 0.00 175.76 174.27 1k56 s TRP 221 N -0.12 2.06 -0.04 0.00 0.52 0.36 -1.22 118.94 120.51 1k56 s TRP 221 Ca -0.01 -0.40 -0.01 0.00 0.02 0.00 0.00 56.10 55.70 1k56 s TRP 221 Cb -0.11 -1.09 0.03 0.00 -1.15 0.00 0.00 33.47 31.15 1k56 s TRP 221 CO 0.02 0.32 0.04 -0.46 0.02 0.00 0.00 176.95 176.89 1k56 s TRP 222 N -1.35 0.16 0.10 -1.98 -0.00 -0.45 -1.97 118.94 113.45 1k56 s TRP 222 Ca 0.13 0.17 0.04 0.00 -0.00 0.00 0.00 56.10 56.44 1k56 s TRP 222 Cb -0.09 -0.48 -0.04 0.00 -0.00 0.00 0.00 33.47 32.86 1k56 s TRP 222 CO 0.06 -0.19 -0.11 0.14 -0.00 0.00 0.00 176.95 176.85 1k56 s VAL 223 N 1.91 1.01 -4.56 5.86 -7.23 -0.59 -0.38 120.40 116.41 1k56 s VAL 223 Ca 0.02 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1k56 s VAL 223 Cb -0.12 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.48 1k56 s VAL 223 CO -0.03 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 174.87 1k56 n GLY 224 N 0.64 -0.51 3.30 2.32 0.00 -0.52 -0.81 105.19 109.60 1k56 n GLY 224 Ca -0.17 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.78 -0.22 -0.12 1.61 -2.14 0.08 -0.95 118.94 113.42 1k56 s TRP 225 Ca 0.00 0.17 0.03 0.00 2.66 0.00 0.00 56.10 58.96 1k56 s TRP 225 Cb 0.00 0.17 0.01 0.00 -3.10 0.00 0.00 33.47 30.55 1k56 s TRP 225 CO 0.00 -0.53 -0.22 0.08 -2.66 0.00 0.00 176.95 173.61 1k56 s VAL 226 N -2.36 2.00 -0.31 -0.66 1.01 0.15 -1.62 120.40 118.60 1k56 s VAL 226 Ca -0.06 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.87 1k56 s VAL 226 Cb -0.01 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 1k56 s VAL 226 CO -0.02 0.54 0.15 -1.61 0.00 0.00 0.00 175.10 174.16 1k56 s GLU 227 N 0.63 3.24 -0.21 2.72 2.02 0.19 -0.71 118.70 126.58 1k56 s GLU 227 Ca -0.12 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.11 1k56 s GLU 227 Cb -0.16 -3.55 0.04 0.00 0.10 0.00 0.00 34.13 30.55 1k56 s GLU 227 CO 0.03 -0.45 -0.13 0.21 0.02 0.00 0.00 175.26 174.93 1k56 s LYS 228 N 1.59 2.38 5.53 1.61 2.36 -0.63 -1.02 119.74 131.55 1k56 s LYS 228 Ca 0.04 -0.96 0.00 0.00 -2.55 0.00 0.00 55.97 52.50 1k56 s LYS 228 Cb -0.17 -2.57 0.00 0.00 -1.05 0.00 0.00 37.83 34.04 1k56 s LYS 228 CO 0.06 -0.39 0.00 0.39 1.55 0.00 0.00 175.35 176.95 1k56 n GLU 229 N 4.60 0.00 -0.49 4.03 1.02 -0.27 -0.90 120.64 128.64 1k56 n GLU 229 Ca -0.16 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.08 1k56 n GLU 229 Cb 0.46 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.21 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 1.47 -4.00 2.62 -2.24 -1.26 -4.94 114.28 105.93 1k56 n THR 230 Ca 0.00 -1.13 -0.22 0.00 -2.27 0.00 0.00 64.05 60.43 1k56 n THR 230 Cb 0.00 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.49 3.34 0.01 -0.78 2.56 -0.08 -5.11 118.70 117.14 1k56 s GLU 231 Ca 0.48 -0.80 0.03 0.00 0.00 0.00 0.00 54.97 54.68 1k56 s GLU 231 Cb 0.29 -2.84 -0.01 0.00 2.00 0.00 0.00 34.13 33.57 1k56 s GLU 231 CO 0.27 0.44 -0.09 0.54 -0.56 0.00 0.00 175.26 175.86 1k56 s VAL 232 N -1.98 0.67 -0.08 3.70 0.11 -1.26 -1.61 120.40 119.95 1k56 s VAL 232 Ca 0.34 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 1k56 s VAL 232 Cb -0.09 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1k56 s VAL 232 CO 0.28 0.05 -0.08 -0.31 -3.33 0.00 0.00 175.10 171.71 1k56 s TYR 233 N -0.49 1.26 -0.04 1.54 1.51 0.11 -0.49 117.35 120.75 1k56 s TYR 233 Ca 0.00 -0.53 -0.10 0.00 -1.01 0.00 0.00 57.07 55.43 1k56 s TYR 233 Cb -0.05 -1.05 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 1k56 s TYR 233 CO 0.00 -0.37 0.27 -0.06 -1.11 0.00 0.00 175.55 174.28 1k56 s PHE 234 N 1.32 3.64 0.03 2.71 0.40 -0.17 -0.67 117.98 125.24 1k56 s PHE 234 Ca -0.03 0.72 -0.04 0.00 -0.60 0.00 0.00 56.93 56.98 1k56 s PHE 234 Cb -0.14 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.29 1k56 s PHE 234 CO -0.03 0.67 0.06 -0.59 0.70 0.00 0.00 175.22 176.03 1k56 s PHE 235 N -1.11 0.23 -0.13 0.36 -0.12 -0.13 -0.88 117.98 116.20 1k56 s PHE 235 Ca 0.21 -0.52 -0.08 0.00 -0.05 0.00 0.00 56.93 56.49 1k56 s PHE 235 Cb -0.14 -0.17 0.05 0.00 -0.63 0.00 0.00 43.02 42.13 1k56 s PHE 235 CO 0.10 -0.32 0.32 0.00 -0.05 0.00 0.00 175.22 175.27 1k56 s ALA 236 N -2.35 -0.78 -0.03 1.99 0.00 -0.46 -1.44 121.76 118.69 1k56 s ALA 236 Ca -0.07 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.12 1k56 s ALA 236 Cb -0.03 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1k56 s ALA 236 CO -0.04 -0.21 -0.18 0.12 0.00 0.00 0.00 175.76 175.45 1k56 s PHE 237 N 1.11 1.68 0.04 0.00 2.19 0.49 -0.57 117.98 122.92 1k56 s PHE 237 Ca -0.08 -0.39 -0.04 0.00 0.33 0.00 0.00 56.93 56.75 1k56 s PHE 237 Cb -0.08 -1.11 -0.02 0.00 -1.31 0.00 0.00 43.02 40.51 1k56 s PHE 237 CO -0.08 -0.09 0.06 0.54 1.83 0.00 0.00 175.22 177.48 1k56 s ASN 238 N -0.23 0.24 0.08 6.13 2.20 -0.33 -1.34 114.94 121.69 1k56 s ASN 238 Ca 0.02 -0.63 -0.13 0.00 -0.94 0.00 0.00 52.86 51.18 1k56 s ASN 238 Cb -0.09 0.22 0.02 0.00 -2.00 0.00 0.00 41.25 39.40 1k56 s ASN 238 CO 0.01 -0.52 0.30 0.00 -2.94 0.00 0.00 177.10 173.94 1k56 s MET 239 N -2.85 0.90 0.07 3.55 0.23 -0.35 -0.68 119.30 120.16 1k56 s MET 239 Ca -0.03 -0.69 -0.27 0.00 -1.03 0.00 0.00 55.69 53.67 1k56 s MET 239 Cb 0.00 0.38 -0.06 0.00 -1.53 0.00 0.00 34.83 33.63 1k56 s MET 239 CO -0.06 -0.31 0.83 -0.51 -2.03 0.00 0.00 175.02 172.94 1k56 s ASP 240 N -2.51 7.31 -0.23 -1.18 1.01 -0.41 -1.85 116.67 118.81 1k56 s ASP 240 Ca 0.00 1.57 0.02 0.00 0.71 0.00 0.00 52.55 54.85 1k56 s ASP 240 Cb 0.02 -2.51 0.04 0.00 1.01 0.00 0.00 42.92 41.48 1k56 s ASP 240 CO -0.08 -0.00 -0.14 -0.51 0.21 0.00 0.00 175.17 174.65 1k56 s ILE 241 N -0.09 2.21 -0.05 0.77 -1.16 -0.42 -4.65 121.20 117.81 1k56 s ILE 241 Ca 0.41 -1.32 0.07 0.00 -0.51 0.00 0.00 60.65 59.30 1k56 s ILE 241 Cb -0.22 -2.15 0.11 0.00 0.61 0.00 0.00 42.46 40.82 1k56 s ILE 241 CO 0.25 0.20 1.02 -0.90 -2.81 0.00 0.00 174.94 172.70 1k56 n ASP 242 N 4.53 1.87 -3.65 4.50 3.85 -1.26 -1.72 116.55 124.67 1k56 n ASP 242 Ca -0.17 -2.34 -0.04 0.00 -0.71 0.00 0.00 54.79 51.53 1k56 n ASP 242 Cb 0.45 -0.17 -0.06 0.00 -1.35 0.00 0.00 41.12 39.99 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 -1.63 -0.96 0.54 -1.12 3.84 -1.26 -4.71 114.94 109.63 1k56 s ASN 243 Ca 0.12 1.46 0.28 0.00 0.21 0.00 0.00 52.86 54.94 1k56 s ASN 243 Cb 0.11 1.84 1.45 0.00 -0.55 0.00 0.00 41.25 44.09 1k56 s ASN 243 CO 0.01 -0.23 1.94 -0.08 -2.79 0.00 0.00 177.10 175.96 1k56 h GLU 244 N 7.66 0.00 0.00 0.43 4.81 -1.94 -1.62 114.58 123.92 1k56 h GLU 244 Ca -0.23 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1k56 h GLU 244 Cb 1.15 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1k56 h GLU 244 CO 0.13 0.00 -0.01 0.66 -0.73 0.00 0.00 179.01 179.06 1k56 h SER 245 N 0.00 0.00 0.79 1.04 4.64 -2.03 -2.90 113.55 115.10 1k56 h SER 245 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1k56 h SER 245 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1k56 h SER 245 CO -0.00 0.01 -0.42 0.29 -0.87 0.00 0.00 176.83 175.84 1k56 n LYS 246 N -3.23 0.13 -0.29 4.77 4.76 -0.61 -4.44 118.16 119.26 1k56 n LYS 246 Ca -0.02 0.05 0.04 0.00 -2.87 0.00 0.00 58.31 55.51 1k56 n LYS 246 Cb 0.12 -1.59 0.19 0.00 -1.84 0.00 0.00 35.03 31.91 1k56 n LYS 246 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1k56 h LEU 247 N 0.00 0.58 -2.23 -0.35 5.85 -1.67 -1.03 115.31 116.46 1k56 h LEU 247 Ca 0.00 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1k56 h LEU 247 Cb 0.61 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1k56 h LEU 247 CO 0.00 0.30 0.26 -0.65 -0.34 0.00 0.00 178.44 178.01 1k56 h PRO 248 N 0.69 0.00 0.00 5.25 0.11 -1.85 -1.59 132.00 134.61 1k56 h PRO 248 Ca 0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.51 1k56 h PRO 248 Cb 0.48 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1k56 h PRO 248 CO -0.30 0.00 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.34 1k56 h LEU 249 N 0.00 0.00 -1.90 2.35 3.38 -1.50 -2.05 115.31 115.58 1k56 h LEU 249 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1k56 h LEU 249 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1k56 h LEU 249 CO -0.00 0.08 -0.09 0.08 0.09 0.00 0.00 178.44 178.60 1k56 h ARG 250 N 0.00 0.00 0.02 1.13 0.11 -1.46 -1.09 114.38 113.09 1k56 h ARG 250 Ca -0.00 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.70 1k56 h ARG 250 Cb 0.38 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.40 1k56 h ARG 250 CO 0.01 0.09 -2.34 1.63 0.10 0.00 0.00 179.97 179.46 1k56 n LYS 251 N -4.24 0.67 0.07 0.08 5.02 -1.01 -4.53 118.16 114.22 1k56 n LYS 251 Ca -0.03 0.13 -0.08 0.00 -2.02 0.00 0.00 58.31 56.31 1k56 n LYS 251 Cb 0.17 -1.56 0.04 0.00 -0.02 0.00 0.00 35.03 33.66 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 0.01 0.35 0.29 4.39 4.64 -1.16 -2.21 113.55 119.86 1k56 h SER 252 Ca -0.53 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 60.54 1k56 h SER 252 Cb 2.03 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 1k56 h SER 252 CO -0.02 0.97 -0.14 0.40 -0.87 0.00 0.00 176.83 177.17 1k56 h ILE 253 N 0.19 0.74 -0.74 0.95 2.04 -1.47 -0.42 117.51 118.81 1k56 h ILE 253 Ca -0.03 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.50 1k56 h ILE 253 Cb 1.32 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1k56 h ILE 253 CO 0.12 0.08 0.49 -0.65 0.00 0.00 0.00 178.15 178.19 1k56 h PRO 254 N -0.61 0.75 -0.25 2.37 0.11 -1.76 -1.38 132.00 131.22 1k56 h PRO 254 Ca -0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1k56 h PRO 254 Cb 0.44 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1k56 h PRO 254 CO 0.07 0.49 0.14 1.15 -0.21 0.00 0.00 178.00 179.64 1k56 h THR 255 N 0.77 1.12 -0.77 -1.15 2.02 -1.26 -0.33 112.91 113.31 1k56 h THR 255 Ca 0.32 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1k56 h THR 255 Cb 0.27 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1k56 h THR 255 CO -0.11 0.12 0.36 0.11 0.37 0.00 0.00 175.52 176.38 1k56 h LYS 256 N 0.29 1.10 -0.11 6.66 1.57 -0.42 0.18 116.57 125.85 1k56 h LYS 256 Ca 0.09 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1k56 h LYS 256 Cb 0.07 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1k56 h LYS 256 CO -0.01 0.85 -0.03 0.82 -0.57 0.00 0.00 179.45 180.51 1k56 h ILE 257 N 1.09 1.30 -0.55 1.86 2.04 -1.09 -0.79 117.51 121.37 1k56 h ILE 257 Ca 0.26 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1k56 h ILE 257 Cb 0.12 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1k56 h ILE 257 CO -0.03 0.28 0.29 0.24 0.00 0.00 0.00 178.15 178.92 1k56 h MET 258 N -0.12 0.76 -0.51 2.37 2.86 -0.79 -1.72 114.93 117.78 1k56 h MET 258 Ca 0.03 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1k56 h MET 258 Cb 0.45 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1k56 h MET 258 CO 0.01 0.57 0.15 1.49 1.06 0.00 0.00 176.91 180.19 1k56 h GLU 259 N 0.76 0.81 0.00 1.72 4.81 -0.42 -2.07 114.58 120.19 1k56 h GLU 259 Ca 0.19 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1k56 h GLU 259 Cb 0.04 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1k56 h GLU 259 CO -0.03 0.76 -0.04 0.77 -0.73 0.00 0.00 179.01 179.74 1k56 h SER 260 N 0.70 0.00 0.09 1.04 0.02 -0.29 -0.64 113.55 114.47 1k56 h SER 260 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1k56 h SER 260 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1k56 h SER 260 CO -0.00 0.04 -0.06 -0.62 -1.14 0.00 0.00 176.83 175.04 1k56 n GLU 261 N -3.23 1.28 -0.99 3.45 -0.58 -0.79 -4.95 120.64 114.83 1k56 n GLU 261 Ca -0.01 -0.64 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 1k56 n GLU 261 Cb 0.22 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 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 1.20 0.49 0.17 0.62 0.00 -0.25 -4.96 105.19 102.47 1k56 n GLY 262 Ca 0.18 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 1k56 n GLY 262 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k56 h ILE 263 N 0.00 1.36 -0.45 -0.61 2.04 -1.59 -3.32 117.51 114.93 1k56 h ILE 263 Ca 0.00 -1.81 -0.11 0.00 1.00 0.00 0.00 64.86 63.94 1k56 h ILE 263 Cb 0.00 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1k56 h ILE 263 CO 0.00 0.55 -0.14 0.40 0.00 0.00 0.00 178.15 178.96 1k56 h ILE 264 N 0.16 1.27 -1.86 -0.67 2.04 -1.84 -3.47 117.51 113.14 1k56 h ILE 264 Ca -0.03 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1k56 h ILE 264 Cb 1.14 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1k56 h ILE 264 CO 0.11 0.43 0.00 0.61 0.00 0.00 0.00 178.15 179.30 1k56 n GLY 265 N -0.18 6.45 0.00 5.37 0.00 -1.25 -5.13 105.19 110.45 1k56 n GLY 265 Ca -0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1k56 n GLY 265 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93