#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k54 n THR 23 N 0.00 0.37 -4.26 9.51 -2.24 -1.22 -4.92 114.28 111.53 1k54 n THR 23 Ca 0.00 -0.07 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 1k54 n THR 23 Cb 0.00 -0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 67.15 1k54 n THR 23 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k54 s GLU 24 N -4.37 3.74 -0.62 -0.78 2.12 -1.26 -2.78 118.70 114.75 1k54 s GLU 24 Ca 0.66 -0.45 -0.08 0.00 0.36 0.00 0.00 54.97 55.47 1k54 s GLU 24 Cb -0.24 -3.01 0.16 0.00 0.26 0.00 0.00 34.13 31.30 1k54 s GLU 24 CO 0.58 0.29 0.49 1.21 -0.54 0.00 0.00 175.26 177.29 1k54 s ASN 25 N 0.27 5.80 0.53 -1.70 3.84 0.25 -4.91 114.94 119.02 1k54 s ASN 25 Ca -0.00 -2.48 0.26 0.00 0.21 0.00 0.00 52.86 50.85 1k54 s ASN 25 Cb -0.13 -2.00 1.50 0.00 -0.55 0.00 0.00 41.25 40.06 1k54 s ASN 25 CO 0.02 -0.54 2.11 0.00 -2.79 0.00 0.00 177.10 175.91 1k54 h THR 26 N 5.45 0.63 0.00 -5.21 1.03 -1.84 -2.27 112.91 110.70 1k54 h THR 26 Ca -0.05 -0.39 -0.02 0.00 -0.01 0.00 0.00 66.41 65.94 1k54 h THR 26 Cb 1.02 1.24 -0.00 0.00 -1.07 0.00 0.00 68.15 69.34 1k54 h THR 26 CO 0.77 0.09 -0.08 0.77 -0.01 0.00 0.00 175.52 177.07 1k54 h SER 27 N 0.00 0.00 0.70 0.00 4.64 -1.95 -1.98 113.55 114.95 1k54 h SER 27 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1k54 h SER 27 Cb 0.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1k54 h SER 27 CO 0.01 0.08 -0.04 -0.50 -0.87 0.00 0.00 176.83 175.50 1k54 h TRP 28 N 0.00 0.00 0.00 4.77 6.55 -1.79 -2.43 115.95 123.05 1k54 h TRP 28 Ca -0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 1k54 h TRP 28 Cb 0.16 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.46 1k54 h TRP 28 CO 0.00 0.04 -0.03 -0.91 -1.05 0.00 0.00 178.44 176.49 1k54 h ASN 29 N 0.00 0.00 -0.66 -3.49 2.35 -1.52 -2.49 115.58 109.77 1k54 h ASN 29 Ca -0.00 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 55.91 1k54 h ASN 29 Cb 0.40 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 1k54 h ASN 29 CO 0.01 0.03 0.46 0.11 -1.65 0.00 0.00 177.43 176.39 1k54 h LYS 30 N 0.00 0.17 0.00 0.81 6.56 -1.62 0.16 116.57 122.65 1k54 h LYS 30 Ca -0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1k54 h LYS 30 Cb 0.11 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 1k54 h LYS 30 CO 0.00 0.11 0.00 0.93 -2.06 0.00 0.00 179.45 178.43 1k54 h GLU 31 N 0.17 0.00 0.00 3.15 4.39 -1.67 -3.27 114.58 117.35 1k54 h GLU 31 Ca 0.32 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.77 1k54 h GLU 31 Cb 1.02 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.63 1k54 h GLU 31 CO -0.05 0.00 -1.72 1.19 -1.16 0.00 0.00 179.01 177.27 1k54 n PHE 32 N -2.97 0.80 -0.25 4.33 3.01 0.48 -4.50 117.46 118.36 1k54 n PHE 32 Ca 0.04 0.28 -0.05 0.00 1.01 0.00 0.00 57.45 58.72 1k54 n PHE 32 Cb 0.47 -1.10 0.05 0.00 -0.01 0.00 0.00 39.48 38.90 1k54 n PHE 32 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1k54 h SER 33 N 0.00 0.82 -0.47 4.37 4.64 -1.33 -1.99 113.55 119.59 1k54 h SER 33 Ca -0.27 -0.05 0.08 0.00 -0.47 0.00 0.00 61.79 61.08 1k54 h SER 33 Cb 1.86 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 63.67 1k54 h SER 33 CO 0.06 0.63 0.09 0.00 -0.87 0.00 0.00 176.83 176.73 1k54 h ALA 34 N 1.23 0.52 -0.26 5.18 0.00 -1.79 -2.00 119.26 122.13 1k54 h ALA 34 Ca 0.25 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1k54 h ALA 34 Cb -0.06 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1k54 h ALA 34 CO -0.05 -0.32 0.00 0.39 0.00 0.00 0.00 179.25 179.27 1k54 n GLU 35 N -5.12 1.95 -3.84 0.00 -0.58 -1.19 -4.92 120.64 106.95 1k54 n GLU 35 Ca 0.05 -1.44 -0.29 0.00 -0.42 0.00 0.00 57.16 55.05 1k54 n GLU 35 Cb 0.23 -1.41 0.04 0.00 -0.57 0.00 0.00 31.44 29.72 1k54 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k54 n ALA 36 N 0.67 -1.28 -2.56 0.62 0.00 -0.75 -4.92 120.51 112.28 1k54 n ALA 36 Ca 0.17 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.45 1k54 n ALA 36 Cb 0.40 -4.69 -0.05 0.00 0.00 0.00 0.00 19.45 15.11 1k54 n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k54 s VAL 37 N -3.29 4.94 -0.43 0.00 1.01 -0.78 -5.03 120.40 116.81 1k54 s VAL 37 Ca 0.65 1.38 -0.14 0.00 0.00 0.00 0.00 61.98 63.87 1k54 s VAL 37 Cb -0.32 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.11 1k54 s VAL 37 CO 0.80 0.34 0.32 0.20 0.00 0.00 0.00 175.10 176.76 1k54 s ASN 38 N 0.24 6.01 0.11 3.32 0.02 -1.26 -4.76 114.94 118.61 1k54 s ASN 38 Ca 0.35 -1.16 -0.05 0.00 -1.02 0.00 0.00 52.86 50.97 1k54 s ASN 38 Cb -0.18 -2.13 0.02 0.00 0.02 0.00 0.00 41.25 38.98 1k54 s ASN 38 CO 0.18 -0.53 0.26 0.61 0.02 0.00 0.00 177.10 177.64 1k54 n GLY 39 N 5.12 1.56 3.09 0.66 0.00 -1.26 -1.02 105.19 113.35 1k54 n GLY 39 Ca -0.12 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 1k54 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k54 s VAL 40 N -2.66 0.04 -0.09 1.61 0.11 -0.04 -4.83 120.40 114.54 1k54 s VAL 40 Ca 0.05 -0.30 0.03 0.00 -2.93 0.00 0.00 61.98 58.83 1k54 s VAL 40 Cb -0.01 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 1k54 s VAL 40 CO 0.03 -0.17 -0.19 0.12 -3.33 0.00 0.00 175.10 171.57 1k54 s PHE 41 N -0.57 2.07 -0.14 1.54 5.99 -1.26 -2.09 117.98 123.52 1k54 s PHE 41 Ca -0.07 -0.83 0.01 0.00 0.00 0.00 0.00 56.93 56.05 1k54 s PHE 41 Cb -0.04 -1.43 0.00 0.00 0.00 0.00 0.00 43.02 41.55 1k54 s PHE 41 CO 0.01 -0.36 -0.18 0.08 -0.00 0.00 0.00 175.22 174.77 1k54 s VAL 42 N 0.50 2.45 -0.07 3.12 1.01 0.16 -3.22 120.40 124.35 1k54 s VAL 42 Ca -0.17 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1k54 s VAL 42 Cb -0.17 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1k54 s VAL 42 CO 0.06 0.53 -0.07 -0.22 0.00 0.00 0.00 175.10 175.40 1k54 s LEU 43 N 0.75 1.30 -0.10 3.92 2.96 -0.19 -1.46 118.68 125.85 1k54 s LEU 43 Ca -0.07 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1k54 s LEU 43 Cb -0.16 -0.68 0.01 0.00 0.50 0.00 0.00 46.19 45.86 1k54 s LEU 43 CO 0.00 -0.06 -0.17 0.00 -1.32 0.00 0.00 176.35 174.81 1k54 s LYS 45 N 0.81 4.19 0.00 0.00 2.20 -0.98 -0.61 119.74 125.35 1k54 s LYS 45 Ca -0.10 0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 1k54 s LYS 45 Cb -0.16 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1k54 s LYS 45 CO 0.01 0.00 0.00 0.43 -0.36 0.00 0.00 175.35 175.43 1k54 n SER 46 N 4.34 0.00 -3.76 1.43 7.64 0.53 -4.60 113.62 119.19 1k54 n SER 46 Ca -0.09 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.72 1k54 n SER 46 Cb 0.51 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 1k54 n SER 46 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1k54 s SER 47 N 0.00 -0.19 0.00 6.43 1.04 -1.26 -4.91 113.70 114.81 1k54 s SER 47 Ca 0.00 -0.72 0.12 0.00 0.48 0.00 0.00 55.95 55.83 1k54 s SER 47 Cb 0.00 0.73 0.72 0.00 0.10 0.00 0.00 66.02 67.57 1k54 s SER 47 CO 0.00 -1.36 1.26 -1.54 0.98 0.00 0.00 173.24 172.58 1k54 n SER 48 N -0.57 0.00 -0.57 7.02 3.41 -1.26 -2.61 113.62 119.03 1k54 n SER 48 Ca -0.04 -1.05 0.13 0.00 -0.26 0.00 0.00 58.87 57.65 1k54 n SER 48 Cb 0.59 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.94 1k54 n SER 48 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k54 n LYS 49 N -0.77 1.73 -3.44 4.33 5.02 -1.26 -4.47 118.16 119.30 1k54 n LYS 49 Ca 0.09 -1.15 -0.27 0.00 -2.02 0.00 0.00 58.31 54.97 1k54 n LYS 49 Cb 0.04 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.48 1k54 n LYS 49 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1k54 n SER 50 N 0.37 0.34 -4.58 4.39 7.64 -1.07 -4.86 113.62 115.84 1k54 n SER 50 Ca 0.17 -2.60 -0.25 0.00 1.01 0.00 0.00 58.87 57.20 1k54 n SER 50 Cb 0.41 -0.60 -0.09 0.00 -1.01 0.00 0.00 64.21 62.92 1k54 n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k54 s ALA 52 N -1.94 0.07 0.16 0.00 0.00 -0.40 -3.38 121.76 116.27 1k54 s ALA 52 Ca 0.27 -0.54 -0.15 0.00 0.00 0.00 0.00 51.96 51.54 1k54 s ALA 52 Cb -0.08 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1k54 s ALA 52 CO 0.16 -0.16 0.41 -0.08 0.00 0.00 0.00 175.76 176.09 1k54 s THR 53 N -1.45 0.06 -0.30 0.00 -1.32 -1.12 -1.03 115.64 110.48 1k54 s THR 53 Ca -0.16 -0.86 0.23 0.00 -1.21 0.00 0.00 61.69 59.69 1k54 s THR 53 Cb -0.10 -1.47 0.11 0.00 -1.51 0.00 0.00 72.50 69.54 1k54 s THR 53 CO -0.01 -0.26 1.24 -0.55 -2.21 0.00 0.00 174.62 172.83 1k54 h ASN 54 N 2.36 0.00 -2.34 8.08 -1.07 -1.73 0.72 115.58 121.61 1k54 h ASN 54 Ca -0.32 -0.00 -0.36 0.00 0.07 0.00 0.00 56.30 55.69 1k54 h ASN 54 Cb 1.25 0.00 -0.35 0.00 -2.07 0.00 0.00 38.32 37.15 1k54 h ASN 54 CO 0.44 0.00 -0.66 -0.62 0.07 0.00 0.00 177.43 176.66 1k54 s ASP 55 N -5.65 1.92 0.21 6.14 3.68 -1.26 -4.70 116.67 117.02 1k54 s ASP 55 Ca 0.02 -0.72 -0.10 0.00 2.13 0.00 0.00 52.55 53.89 1k54 s ASP 55 Cb 0.08 0.33 0.18 0.00 -1.45 0.00 0.00 42.92 42.06 1k54 s ASP 55 CO 0.75 -0.38 1.88 -0.07 0.13 0.00 0.00 175.17 177.47 1k54 h LEU 56 N 8.30 0.86 0.31 -1.34 3.38 -1.95 -1.28 115.31 123.60 1k54 h LEU 56 Ca -0.15 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1k54 h LEU 56 Cb 1.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1k54 h LEU 56 CO 0.34 0.62 -0.15 0.00 0.09 0.00 0.00 178.44 179.34 1k54 h ALA 57 N 1.29 -0.41 0.00 1.53 0.00 -2.01 -3.09 119.26 116.56 1k54 h ALA 57 Ca 0.29 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1k54 h ALA 57 Cb -0.08 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1k54 h ALA 57 CO -0.07 -0.68 -0.29 -0.09 0.00 0.00 0.00 179.25 178.12 1k54 h ARG 58 N -0.53 0.00 -0.83 0.00 2.43 -1.94 -3.13 114.38 110.39 1k54 h ARG 58 Ca -0.04 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.30 1k54 h ARG 58 Cb 0.39 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 1k54 h ARG 58 CO 0.07 0.29 0.55 0.00 -1.51 0.00 0.00 179.97 179.37 1k54 h ALA 59 N 1.71 2.11 -0.24 2.80 0.00 -1.14 -1.08 119.26 123.42 1k54 h ALA 59 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k54 h ALA 59 Cb 0.69 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1k54 h ALA 59 CO 0.04 -0.35 0.00 0.43 0.00 0.00 0.00 179.25 179.37 1k54 n SER 60 N -4.50 2.86 -4.75 0.00 7.64 -1.18 -1.87 113.62 111.81 1k54 n SER 60 Ca 0.17 -1.84 -0.41 0.00 1.01 0.00 0.00 58.87 57.80 1k54 n SER 60 Cb 0.59 -0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.60 1k54 n SER 60 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1k54 s LYS 61 N -1.26 4.61 -0.13 1.43 2.20 -0.41 -4.74 119.74 121.44 1k54 s LYS 61 Ca 0.27 1.79 -0.09 0.00 -0.36 0.00 0.00 55.97 57.58 1k54 s LYS 61 Cb 0.16 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 1k54 s LYS 61 CO 0.23 0.14 0.18 -1.21 -0.36 0.00 0.00 175.35 174.33 1k54 s GLU 62 N -1.03 3.75 0.17 4.03 2.02 -1.26 -4.04 118.70 122.33 1k54 s GLU 62 Ca 0.47 -0.08 0.03 0.00 0.02 0.00 0.00 54.97 55.41 1k54 s GLU 62 Cb -0.31 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 1k54 s GLU 62 CO 0.39 0.60 -0.04 0.71 0.02 0.00 0.00 175.26 176.94 1k54 s TYR 63 N -0.54 1.26 0.16 1.61 1.51 -0.22 -4.69 117.35 116.43 1k54 s TYR 63 Ca 0.14 -0.89 -0.34 0.00 -1.01 0.00 0.00 57.07 54.97 1k54 s TYR 63 Cb -0.12 -0.70 -0.15 0.00 -0.11 0.00 0.00 41.96 40.89 1k54 s TYR 63 CO 0.03 -0.06 1.47 1.28 -1.11 0.00 0.00 175.55 177.16 1k54 n LEU 64 N -0.24 2.65 0.21 -1.29 4.77 -1.25 -0.55 117.00 121.30 1k54 n LEU 64 Ca -0.08 1.11 0.08 0.00 -0.03 0.00 0.00 56.01 57.08 1k54 n LEU 64 Cb 0.62 -1.36 0.44 0.00 -2.33 0.00 0.00 43.42 40.80 1k54 n LEU 64 CO 0.33 -0.56 0.77 -0.65 -1.33 0.00 0.00 177.39 175.95 1k54 h PRO 65 N 5.16 0.00 0.00 3.23 0.11 -1.75 -3.46 132.00 135.28 1k54 h PRO 65 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1k54 h PRO 65 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1k54 h PRO 65 CO 0.83 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.91 1k54 n ALA 66 N -2.29 0.00 -0.12 -0.75 0.00 -0.58 -2.04 120.51 114.73 1k54 n ALA 66 Ca -0.01 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.60 1k54 n ALA 66 Cb 0.43 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.14 1k54 n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k54 n SER 67 N -3.44 0.00 0.20 0.00 7.64 -1.26 -1.44 113.62 115.32 1k54 n SER 67 Ca 0.00 0.47 0.04 0.00 1.01 0.00 0.00 58.87 60.39 1k54 n SER 67 Cb 0.00 -0.16 0.40 0.00 -1.01 0.00 0.00 64.21 63.45 1k54 n SER 67 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1k54 h THR 68 N 0.00 1.11 0.00 0.44 1.35 -1.45 -3.41 112.91 110.95 1k54 h THR 68 Ca 0.30 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1k54 h THR 68 Cb 1.83 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 1k54 h THR 68 CO -0.00 0.33 0.65 0.33 -0.25 0.00 0.00 175.52 176.59 1k54 n PHE 69 N -3.93 0.00 0.00 4.73 7.35 -0.52 -4.39 117.46 120.70 1k54 n PHE 69 Ca -0.02 -0.31 0.00 0.00 -0.76 0.00 0.00 57.45 56.36 1k54 n PHE 69 Cb 0.40 -0.48 0.00 0.00 0.35 0.00 0.00 39.48 39.76 1k54 n PHE 69 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1k54 n ILE 71 N 4.07 0.00 -0.15 -2.13 5.41 -1.26 -1.24 119.36 124.05 1k54 n ILE 71 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.75 1k54 n ILE 71 Cb 0.00 0.00 0.25 0.00 -0.71 0.00 0.00 39.64 39.18 1k54 n ILE 71 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1k54 h PRO 72 N 0.00 0.87 -0.75 0.38 0.13 -1.98 -2.44 132.00 128.20 1k54 h PRO 72 Ca 0.00 -0.10 0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1k54 h PRO 72 Cb 0.00 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 30.91 1k54 h PRO 72 CO 0.00 0.65 0.48 -0.97 -0.23 0.00 0.00 178.00 177.93 1k54 h ASN 73 N 0.87 0.79 -0.49 1.44 -0.00 -1.53 -0.17 115.58 116.50 1k54 h ASN 73 Ca 0.22 -0.01 -0.05 0.00 -0.00 0.00 0.00 56.30 56.47 1k54 h ASN 73 Cb 0.06 -0.18 -0.02 0.00 -0.00 0.00 0.00 38.32 38.18 1k54 h ASN 73 CO -0.03 0.55 0.12 0.00 -0.00 0.00 0.00 177.43 178.07 1k54 h ALA 74 N 1.31 0.64 -0.56 1.57 0.00 -1.72 0.67 119.26 121.17 1k54 h ALA 74 Ca 0.30 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1k54 h ALA 74 Cb -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1k54 h ALA 74 CO -0.10 0.33 0.25 0.82 0.00 0.00 0.00 179.25 180.54 1k54 h ILE 75 N 0.66 1.21 -0.50 0.00 2.04 -0.94 -1.56 117.51 118.42 1k54 h ILE 75 Ca 0.15 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 1k54 h ILE 75 Cb 0.33 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1k54 h ILE 75 CO 0.00 0.25 -0.03 0.40 0.00 0.00 0.00 178.15 178.77 1k54 h ILE 76 N 0.76 1.27 -0.73 -0.67 2.04 -0.90 0.43 117.51 119.70 1k54 h ILE 76 Ca 0.19 -1.13 0.07 0.00 1.00 0.00 0.00 64.86 64.99 1k54 h ILE 76 Cb 0.16 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1k54 h ILE 76 CO -0.02 0.40 0.41 1.23 0.00 0.00 0.00 178.15 180.17 1k54 h GLY 77 N 0.77 1.10 0.91 5.37 0.00 -0.56 -0.75 103.07 109.91 1k54 h GLY 77 Ca 0.14 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 1k54 h GLY 77 CO 0.03 0.16 -0.14 1.41 0.00 0.00 0.00 176.54 178.00 1k54 h LEU 78 N 0.74 0.64 -0.91 3.11 3.38 -1.03 0.48 115.31 121.73 1k54 h LEU 78 Ca 0.34 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1k54 h LEU 78 Cb 0.24 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1k54 h LEU 78 CO -0.20 0.91 0.49 -0.33 0.09 0.00 0.00 178.44 179.40 1k54 h GLU 79 N 0.38 1.26 -0.00 1.13 4.39 -0.35 -2.60 114.58 118.79 1k54 h GLU 79 Ca 0.07 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1k54 h GLU 79 Cb 0.66 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1k54 h GLU 79 CO 0.04 0.93 -0.18 0.25 -1.16 0.00 0.00 179.01 178.89 1k54 n THR 80 N -4.33 0.00 -0.83 1.13 -2.24 -0.34 -4.92 114.28 102.75 1k54 n THR 80 Ca 0.10 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1k54 n THR 80 Cb 0.10 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1k54 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k54 n GLY 81 N 1.38 0.80 0.32 3.38 0.00 -0.98 -4.90 105.19 105.19 1k54 n GLY 81 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1k54 n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k54 h VAL 82 N 0.00 1.24 -3.71 1.61 2.07 -1.46 -3.36 116.25 112.64 1k54 h VAL 82 Ca 0.00 -0.61 -0.63 0.00 0.82 0.00 0.00 66.70 66.28 1k54 h VAL 82 Cb 0.00 0.19 -0.15 0.00 -1.52 0.00 0.00 31.29 29.81 1k54 h VAL 82 CO 0.00 0.27 -0.44 -0.63 0.02 0.00 0.00 177.57 176.79 1k54 s ILE 83 N -5.81 5.30 0.06 4.57 1.01 0.03 -4.99 121.20 121.36 1k54 s ILE 83 Ca -0.13 0.29 -0.25 0.00 0.00 0.00 0.00 60.65 60.56 1k54 s ILE 83 Cb 0.15 -3.56 -0.17 0.00 0.01 0.00 0.00 42.46 38.90 1k54 s ILE 83 CO 0.81 0.27 1.59 0.50 0.00 0.00 0.00 174.94 178.12 1k54 h LYS 84 N 7.91 -0.14 0.00 2.79 3.64 -1.87 -3.39 116.57 125.51 1k54 h LYS 84 Ca -0.36 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.11 1k54 h LYS 84 Cb 1.18 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1k54 h LYS 84 CO 0.62 0.01 0.26 0.27 -2.27 0.00 0.00 179.45 178.34 1k54 n ASN 85 N -5.10 -0.66 0.11 4.20 0.23 -1.26 -5.02 115.26 107.77 1k54 n ASN 85 Ca -0.08 -1.32 0.11 0.00 -0.53 0.00 0.00 54.58 52.75 1k54 n ASN 85 Cb 0.13 1.07 0.47 0.00 -2.08 0.00 0.00 39.78 39.37 1k54 n ASN 85 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1k54 n GLU 86 N -0.30 0.15 -0.32 -3.83 0.00 -1.26 -2.40 120.64 112.68 1k54 n GLU 86 Ca -0.00 0.44 0.11 0.00 0.00 0.00 0.00 57.16 57.71 1k54 n GLU 86 Cb 0.23 -1.83 0.28 0.00 0.00 0.00 0.00 31.44 30.13 1k54 n GLU 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1k54 n HIS 87 N -2.12 0.84 -1.91 -1.84 8.25 -1.26 -4.52 115.22 112.66 1k54 n HIS 87 Ca 0.02 -0.46 -0.41 0.00 -0.26 0.00 0.00 57.72 56.60 1k54 n HIS 87 Cb 0.18 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 1k54 n HIS 87 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k54 s GLN 88 N -1.06 4.20 -0.14 -0.41 0.74 -1.01 -4.97 119.66 117.01 1k54 s GLN 88 Ca 0.44 2.43 -0.05 0.00 0.05 0.00 0.00 55.36 58.23 1k54 s GLN 88 Cb 0.23 -3.06 -0.04 0.00 1.10 0.00 0.00 33.01 31.24 1k54 s GLN 88 CO 0.31 -0.50 0.03 0.08 -0.55 0.00 0.00 175.29 174.66 1k54 s VAL 89 N -0.15 4.57 -0.50 1.34 1.01 -1.26 -3.58 120.40 121.82 1k54 s VAL 89 Ca 0.60 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 1k54 s VAL 89 Cb -0.45 -3.00 0.09 0.00 0.00 0.00 0.00 36.38 33.03 1k54 s VAL 89 CO 0.47 0.53 0.46 -0.36 0.00 0.00 0.00 175.10 176.19 1k54 s PHE 90 N -0.14 3.23 0.25 5.22 0.40 0.75 -4.96 117.98 122.73 1k54 s PHE 90 Ca 0.06 -1.03 -0.30 0.00 -0.60 0.00 0.00 56.93 55.06 1k54 s PHE 90 Cb -0.12 -3.44 -0.09 0.00 0.51 0.00 0.00 43.02 39.88 1k54 s PHE 90 CO 0.02 -0.90 0.97 0.15 0.70 0.00 0.00 175.22 176.15 1k54 s LYS 91 N 1.72 4.80 0.13 0.44 1.02 -1.26 -1.51 119.74 125.08 1k54 s LYS 91 Ca 0.05 1.54 -0.27 0.00 0.02 0.00 0.00 55.97 57.31 1k54 s LYS 91 Cb -0.26 -3.24 -0.07 0.00 -0.52 0.00 0.00 37.83 33.74 1k54 s LYS 91 CO 0.06 0.45 0.84 -0.46 -0.92 0.00 0.00 175.35 175.32 1k54 s TRP 92 N -1.20 3.85 -2.43 3.18 -0.00 -1.26 -4.93 118.94 116.14 1k54 s TRP 92 Ca 0.42 1.67 0.25 0.00 -0.00 0.00 0.00 56.10 58.44 1k54 s TRP 92 Cb -0.27 -2.89 0.87 0.00 -0.00 0.00 0.00 33.47 31.19 1k54 s TRP 92 CO 0.33 0.36 1.63 -0.40 -0.00 0.00 0.00 176.95 178.87 1k54 n ASP 93 N 2.23 1.70 0.00 5.86 5.68 -1.26 -4.91 116.55 125.85 1k54 n ASP 93 Ca -0.02 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 1k54 n ASP 93 Cb 0.49 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1k54 n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k54 n GLY 94 N 1.18 0.82 3.88 6.12 0.00 -1.26 -5.04 105.19 110.88 1k54 n GLY 94 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1k54 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k54 s LYS 95 N -0.19 3.75 0.31 1.61 -0.14 -1.26 -5.03 119.74 118.80 1k54 s LYS 95 Ca 0.00 0.17 -0.29 0.00 -1.36 0.00 0.00 55.97 54.49 1k54 s LYS 95 Cb 0.00 -2.73 -0.12 0.00 -1.68 0.00 0.00 37.83 33.30 1k54 s LYS 95 CO 0.00 0.38 1.43 -2.30 -0.76 0.00 0.00 175.35 174.10 1k54 n PRO 96 N 0.01 2.37 -4.48 -1.68 -0.02 -1.26 -5.01 135.00 124.93 1k54 n PRO 96 Ca -0.01 0.84 -0.24 0.00 -2.02 0.00 0.00 63.50 62.07 1k54 n PRO 96 Cb 0.52 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 1k54 n PRO 96 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1k54 s ARG 97 N -1.26 1.69 0.45 -0.52 0.52 -1.26 -5.05 118.95 113.52 1k54 s ARG 97 Ca 0.60 -1.81 0.18 0.00 -0.52 0.00 0.00 55.73 54.18 1k54 s ARG 97 Cb -0.55 -1.67 1.07 0.00 0.52 0.00 0.00 34.95 34.32 1k54 s ARG 97 CO 0.56 0.24 1.97 0.00 0.02 0.00 0.00 175.30 178.09 1k54 h ALA 98 N 2.21 1.45 -3.80 2.13 0.00 -1.98 -3.41 119.26 115.86 1k54 h ALA 98 Ca -0.40 -0.20 -0.61 0.00 0.00 0.00 0.00 54.91 53.70 1k54 h ALA 98 Cb 1.25 -0.03 -0.32 0.00 0.00 0.00 0.00 17.79 18.69 1k54 h ALA 98 CO 0.64 0.27 -0.85 -1.64 0.00 0.00 0.00 179.25 177.67 1k54 s MET 99 N -4.33 2.16 0.44 0.00 -1.94 -1.26 -5.02 119.30 109.36 1k54 s MET 99 Ca -0.03 -0.71 0.11 0.00 -1.71 0.00 0.00 55.69 53.35 1k54 s MET 99 Cb 0.14 -1.81 1.00 0.00 2.01 0.00 0.00 34.83 36.18 1k54 s MET 99 CO 0.67 0.25 2.06 -0.22 -0.01 0.00 0.00 175.02 177.77 1k54 h LYS 100 N 6.34 0.37 0.00 2.03 1.63 -1.99 -1.13 116.57 123.82 1k54 h LYS 100 Ca -0.30 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 1k54 h LYS 100 Cb 1.19 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1k54 h LYS 100 CO 0.47 0.25 0.00 1.96 -3.45 0.00 0.00 179.45 178.68 1k54 h GLN 101 N 0.39 0.00 -0.01 1.90 7.50 -1.96 -1.43 115.11 121.50 1k54 h GLN 101 Ca 0.15 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.30 1k54 h GLN 101 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.65 1k54 h GLN 101 CO -0.03 0.00 -0.57 0.91 -1.50 0.00 0.00 178.83 177.64 1k54 n TRP 102 N -2.82 0.00 -1.98 2.96 8.01 -0.43 -4.65 117.44 118.52 1k54 n TRP 102 Ca -0.02 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.76 1k54 n TRP 102 Cb 0.10 -0.10 -0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1k54 n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1k54 n GLU 103 N -0.98 3.61 -3.58 -0.99 1.02 -0.54 -4.81 120.64 114.37 1k54 n GLU 103 Ca 0.08 -3.10 -0.05 0.00 -0.02 0.00 0.00 57.16 54.07 1k54 n GLU 103 Cb 0.37 -2.95 -0.02 0.00 -0.02 0.00 0.00 31.44 28.82 1k54 n GLU 103 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1k54 s ARG 104 N 1.07 0.49 0.40 3.49 1.70 -1.26 -5.07 118.95 119.77 1k54 s ARG 104 Ca 0.48 -0.20 -0.26 0.00 -0.47 0.00 0.00 55.73 55.27 1k54 s ARG 104 Cb 0.13 0.21 -0.09 0.00 -0.57 0.00 0.00 34.95 34.64 1k54 s ARG 104 CO -0.05 -0.22 1.30 -0.51 -1.08 0.00 0.00 175.30 174.75 1k54 s ASP 105 N -2.40 6.38 0.02 -2.89 -0.00 -1.26 -4.29 116.67 112.23 1k54 s ASP 105 Ca 0.09 2.65 0.02 0.00 -0.00 0.00 0.00 52.55 55.31 1k54 s ASP 105 Cb -0.00 -2.64 -0.01 0.00 -0.00 0.00 0.00 42.92 40.26 1k54 s ASP 105 CO -0.05 -0.80 -0.07 -0.76 -0.00 0.00 0.00 175.17 173.48 1k54 s LEU 106 N -2.35 2.13 0.90 1.23 1.43 -0.57 -4.97 118.68 116.49 1k54 s LEU 106 Ca 0.56 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 53.19 1k54 s LEU 106 Cb -0.38 -0.25 0.17 0.00 0.03 0.00 0.00 46.19 45.76 1k54 s LEU 106 CO 0.49 -0.06 1.26 0.42 0.23 0.00 0.00 176.35 178.69 1k54 s THR 107 N -0.75 2.02 0.15 5.49 -4.23 -1.26 -0.17 115.64 116.89 1k54 s THR 107 Ca -0.03 -0.07 -0.16 0.00 -1.18 0.00 0.00 61.69 60.25 1k54 s THR 107 Cb -0.06 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.84 1k54 s THR 107 CO 0.00 0.00 1.77 0.25 -0.54 0.00 0.00 174.62 176.11 1k54 h LEU 108 N -1.40 0.52 -0.50 4.79 5.85 -1.79 -0.12 115.31 122.65 1k54 h LEU 108 Ca -0.44 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 1k54 h LEU 108 Cb 1.26 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1k54 h LEU 108 CO 0.44 0.43 0.26 -0.09 -0.34 0.00 0.00 178.44 179.14 1k54 h ARG 109 N 0.56 0.71 -0.50 1.25 2.43 -1.88 -1.91 114.38 115.04 1k54 h ARG 109 Ca 0.15 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1k54 h ARG 109 Cb 0.01 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1k54 h ARG 109 CO -0.03 0.57 0.33 0.78 -1.51 0.00 0.00 179.97 180.11 1k54 h GLY 110 N 0.67 0.70 1.16 2.80 0.00 -1.84 0.13 103.07 106.70 1k54 h GLY 110 Ca 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1k54 h GLY 110 CO -0.03 0.26 0.35 0.00 0.00 0.00 0.00 176.54 177.12 1k54 h ALA 111 N 1.18 1.20 -0.04 3.60 0.00 -0.81 -0.08 119.26 124.31 1k54 h ALA 111 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1k54 h ALA 111 Cb -0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1k54 h ALA 111 CO -0.04 0.60 -0.02 0.82 0.00 0.00 0.00 179.25 180.61 1k54 h ILE 112 N 1.07 1.34 -0.38 0.00 2.04 -1.07 -0.34 117.51 120.17 1k54 h ILE 112 Ca 0.26 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 1k54 h ILE 112 Cb 0.13 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1k54 h ILE 112 CO -0.03 0.28 0.06 1.56 0.00 0.00 0.00 178.15 180.02 1k54 h GLN 113 N -0.32 0.57 -0.21 2.37 1.08 -0.62 -1.60 115.11 116.38 1k54 h GLN 113 Ca 0.01 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1k54 h GLN 113 Cb 0.47 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1k54 h GLN 113 CO 0.01 0.55 0.00 1.33 -0.95 0.00 0.00 178.83 179.77 1k54 n VAL 114 N -4.31 0.26 -3.65 -0.54 0.24 -0.07 -4.97 118.33 105.29 1k54 n VAL 114 Ca 0.02 -0.48 -0.23 0.00 -2.04 0.00 0.00 64.34 61.62 1k54 n VAL 114 Cb 0.22 0.70 0.04 0.00 -1.47 0.00 0.00 33.84 33.32 1k54 n VAL 114 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1k54 n SER 115 N 0.78 -2.51 -4.57 -1.34 7.64 -0.60 -4.84 113.62 108.18 1k54 n SER 115 Ca 0.17 -0.85 -0.33 0.00 1.01 0.00 0.00 58.87 58.87 1k54 n SER 115 Cb 0.45 -4.04 -0.04 0.00 -1.01 0.00 0.00 64.21 59.57 1k54 n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k54 s ALA 116 N -3.61 2.22 0.18 -0.43 0.00 -0.19 -4.86 121.76 115.08 1k54 s ALA 116 Ca 0.14 -2.16 -0.20 0.00 0.00 0.00 0.00 51.96 49.74 1k54 s ALA 116 Cb -0.04 -4.62 0.12 0.00 0.00 0.00 0.00 23.12 18.59 1k54 s ALA 116 CO 0.81 -4.47 1.60 0.28 0.00 0.00 0.00 175.76 173.99 1k54 h VAL 117 N 6.43 0.25 -0.59 0.00 2.07 -1.88 -2.14 116.25 120.39 1k54 h VAL 117 Ca 0.23 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.83 1k54 h VAL 117 Cb 0.95 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1k54 h VAL 117 CO 1.30 0.00 0.39 1.55 0.02 0.00 0.00 177.57 180.83 1k54 h PRO 118 N -0.16 0.47 -0.33 1.57 0.13 -1.99 -0.23 132.00 131.45 1k54 h PRO 118 Ca 0.22 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 1k54 h PRO 118 Cb 0.52 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 1k54 h PRO 118 CO -0.61 0.31 0.16 0.28 -0.23 0.00 0.00 178.00 177.91 1k54 h VAL 119 N 0.48 1.17 0.00 1.56 2.07 -1.80 -2.41 116.25 117.31 1k54 h VAL 119 Ca 0.26 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1k54 h VAL 119 Cb 0.41 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1k54 h VAL 119 CO -0.08 0.17 -0.40 -0.26 0.02 0.00 0.00 177.57 177.03 1k54 h PHE 120 N 0.40 0.00 -0.58 1.57 -1.00 -1.25 -2.16 116.94 113.92 1k54 h PHE 120 Ca 0.11 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.83 1k54 h PHE 120 Cb 0.13 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1k54 h PHE 120 CO -0.01 0.40 0.09 1.96 -1.61 0.00 0.00 178.31 179.14 1k54 h GLN 121 N 0.00 0.96 -0.41 1.51 4.20 -0.94 -0.66 115.11 119.77 1k54 h GLN 121 Ca -0.00 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.33 1k54 h GLN 121 Cb 1.14 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 1k54 h GLN 121 CO 0.05 0.91 -0.20 0.37 -0.67 0.00 0.00 178.83 179.29 1k54 h GLN 122 N 0.85 0.81 -0.38 1.46 5.75 -1.25 -1.64 115.11 120.71 1k54 h GLN 122 Ca 0.17 -0.32 0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1k54 h GLN 122 Cb 0.42 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 1k54 h GLN 122 CO 0.01 0.94 0.23 0.82 -2.65 0.00 0.00 178.83 178.19 1k54 h ILE 123 N 0.71 1.06 -0.65 2.39 2.04 -1.14 -2.01 117.51 119.91 1k54 h ILE 123 Ca 0.10 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1k54 h ILE 123 Cb 0.72 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1k54 h ILE 123 CO 0.06 0.09 0.43 0.00 0.00 0.00 0.00 178.15 178.72 1k54 h ALA 124 N 1.16 0.82 -0.77 1.87 0.00 -0.82 -0.16 119.26 121.36 1k54 h ALA 124 Ca 0.15 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1k54 h ALA 124 Cb -0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1k54 h ALA 124 CO -0.06 0.24 0.48 0.00 0.00 0.00 0.00 179.25 179.92 1k54 h ARG 125 N 0.87 0.91 -0.14 0.00 3.08 -1.00 -0.39 114.38 117.72 1k54 h ARG 125 Ca 0.24 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.08 1k54 h ARG 125 Cb -0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 1k54 h ARG 125 CO -0.05 0.60 -0.56 0.93 -1.07 0.00 0.00 179.97 179.82 1k54 h GLU 126 N 0.94 0.43 -0.08 0.04 5.08 -0.77 -3.06 114.58 117.16 1k54 h GLU 126 Ca 0.31 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1k54 h GLU 126 Cb 0.02 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1k54 h GLU 126 CO -0.12 0.88 0.04 0.28 -1.00 0.00 0.00 179.01 179.09 1k54 h VAL 127 N 0.33 1.13 0.00 3.13 2.07 -0.64 -3.50 116.25 118.77 1k54 h VAL 127 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1k54 h VAL 127 Cb 1.08 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1k54 h VAL 127 CO 0.10 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.41 1k54 n GLY 128 N -0.74 -1.23 0.21 2.17 0.00 -0.19 -4.30 105.19 101.11 1k54 n GLY 128 Ca -0.06 -1.50 -0.03 0.00 0.00 0.00 0.00 46.02 44.43 1k54 n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k54 h GLU 129 N 0.00 0.45 -0.03 1.61 4.81 -1.89 -0.54 114.58 118.99 1k54 h GLU 129 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1k54 h GLU 129 Cb 0.00 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1k54 h GLU 129 CO 0.00 0.30 0.02 0.28 -0.73 0.00 0.00 179.01 178.88 1k54 h VAL 130 N 0.47 1.02 -0.35 0.32 2.07 -2.00 -0.88 116.25 116.90 1k54 h VAL 130 Ca 0.25 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.59 1k54 h VAL 130 Cb 0.21 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1k54 h VAL 130 CO -0.20 0.01 -0.34 0.03 0.02 0.00 0.00 177.57 177.09 1k54 h ARG 131 N 0.03 0.78 -0.26 1.57 3.08 -1.71 -2.46 114.38 115.41 1k54 h ARG 131 Ca 0.01 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.68 1k54 h ARG 131 Cb 0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1k54 h ARG 131 CO -0.00 1.00 0.16 1.98 -1.07 0.00 0.00 179.97 182.04 1k54 h MET 132 N 0.65 0.35 -0.60 0.04 4.05 -0.91 -1.60 114.93 116.91 1k54 h MET 132 Ca 0.07 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.48 1k54 h MET 132 Cb 0.89 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.57 1k54 h MET 132 CO 0.08 0.27 0.37 0.37 0.23 0.00 0.00 176.91 178.23 1k54 h GLN 133 N 0.34 0.72 -0.43 0.39 5.75 -1.09 -1.26 115.11 119.52 1k54 h GLN 133 Ca 0.10 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1k54 h GLN 133 Cb 0.00 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 1k54 h GLN 133 CO -0.02 0.47 0.27 -0.22 -2.65 0.00 0.00 178.83 176.69 1k54 h LYS 134 N 0.74 0.57 -0.24 1.69 3.64 -1.12 -1.95 116.57 119.89 1k54 h LYS 134 Ca 0.24 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.43 1k54 h LYS 134 Cb 0.01 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1k54 h LYS 134 CO -0.10 0.40 -0.46 1.88 -2.27 0.00 0.00 179.45 178.90 1k54 h TYR 135 N 0.57 0.77 0.00 1.91 -1.99 -0.93 -1.48 116.97 115.82 1k54 h TYR 135 Ca 0.16 -0.24 -0.07 0.00 2.00 0.00 0.00 58.73 60.57 1k54 h TYR 135 Cb -0.04 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.53 1k54 h TYR 135 CO -0.04 0.98 -0.35 -0.07 -0.00 0.00 0.00 178.16 178.67 1k54 h LEU 136 N 0.51 0.00 -0.08 3.88 3.38 -1.12 0.46 115.31 122.34 1k54 h LEU 136 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1k54 h LEU 136 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1k54 h LEU 136 CO 0.09 0.35 -0.03 0.50 0.09 0.00 0.00 178.44 179.45 1k54 h LYS 137 N 0.00 0.16 -0.78 1.13 3.64 -1.03 -1.50 116.57 118.18 1k54 h LYS 137 Ca -0.00 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1k54 h LYS 137 Cb 0.65 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1k54 h LYS 137 CO 0.05 0.51 0.52 0.87 -2.27 0.00 0.00 179.45 179.13 1k54 h LYS 138 N -0.21 0.94 -0.00 1.90 1.57 -0.85 -2.21 116.57 117.71 1k54 h LYS 138 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1k54 h LYS 138 Cb 0.46 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1k54 h LYS 138 CO 0.01 0.62 -0.08 1.19 -0.57 0.00 0.00 179.45 180.62 1k54 n PHE 139 N -4.45 0.00 -3.80 -1.35 0.99 0.12 -4.72 117.46 104.25 1k54 n PHE 139 Ca 0.10 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.32 1k54 n PHE 139 Cb 0.11 -0.22 0.02 0.00 -1.00 0.00 0.00 39.48 38.39 1k54 n PHE 139 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1k54 n SER 140 N -1.09 -1.16 -4.43 4.37 7.64 -0.76 -4.88 113.62 113.30 1k54 n SER 140 Ca 0.14 -0.88 -0.44 0.00 1.01 0.00 0.00 58.87 58.71 1k54 n SER 140 Cb 0.26 -3.73 -0.03 0.00 -1.01 0.00 0.00 64.21 59.70 1k54 n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k54 s TYR 141 N -3.73 3.02 0.00 1.43 5.04 -0.64 -4.97 117.35 117.50 1k54 s TYR 141 Ca 0.06 -1.12 0.00 0.00 -2.44 0.00 0.00 57.07 53.56 1k54 s TYR 141 Cb -0.03 -4.21 0.00 0.00 0.35 0.00 0.00 41.96 38.07 1k54 s TYR 141 CO 0.84 -1.47 0.00 0.41 -1.34 0.00 0.00 175.55 173.99 1k54 n GLY 142 N 5.32 2.54 0.00 8.97 0.00 -1.26 -2.02 105.19 118.73 1k54 n GLY 142 Ca 0.10 -0.38 0.15 0.00 0.00 0.00 0.00 46.02 45.89 1k54 n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k54 n ASN 143 N 0.09 0.00 -1.85 1.61 6.94 -0.16 -4.89 115.26 117.00 1k54 n ASN 143 Ca 0.00 -0.87 -0.14 0.00 -0.02 0.00 0.00 54.58 53.54 1k54 n ASN 143 Cb 0.00 -0.03 -0.04 0.00 -2.36 0.00 0.00 39.78 37.35 1k54 n ASN 143 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1k54 n GLN 144 N -1.03 -1.65 -3.26 -3.83 6.02 -0.85 -4.92 117.38 107.85 1k54 n GLN 144 Ca 0.22 0.77 -0.43 0.00 -0.01 0.00 0.00 57.00 57.55 1k54 n GLN 144 Cb 0.12 -5.18 -0.08 0.00 1.02 0.00 0.00 30.24 26.12 1k54 n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1k54 s ASN 145 N -2.12 6.21 -0.27 1.08 3.84 -1.26 -4.92 114.94 117.49 1k54 s ASN 145 Ca 0.00 -0.74 0.12 0.00 0.21 0.00 0.00 52.86 52.45 1k54 s ASN 145 Cb 0.00 -2.25 0.68 0.00 -0.55 0.00 0.00 41.25 39.13 1k54 s ASN 145 CO 0.00 -0.68 1.67 2.30 -2.79 0.00 0.00 177.10 177.59 1k54 n ILE 146 N 5.51 2.71 -2.18 -5.21 -5.35 -1.26 -2.13 119.36 111.46 1k54 n ILE 146 Ca -0.07 -1.79 -0.33 0.00 -0.27 0.00 0.00 62.75 60.28 1k54 n ILE 146 Cb 0.47 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 1k54 n ILE 146 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1k54 s SER 147 N -1.40 5.86 0.00 7.28 1.04 -1.26 -4.26 113.70 120.96 1k54 s SER 147 Ca 0.51 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.84 1k54 s SER 147 Cb 0.41 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1k54 s SER 147 CO 0.11 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1k54 n GLY 148 N -0.61 0.98 0.00 7.32 0.00 -1.26 -2.57 105.19 109.05 1k54 n GLY 148 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1k54 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k54 n GLY 149 N -0.20 3.18 0.31 -0.02 0.00 -1.26 -4.54 105.19 102.67 1k54 n GLY 149 Ca 0.00 -1.42 0.18 0.00 0.00 0.00 0.00 46.02 44.78 1k54 n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k54 h ILE 150 N 0.00 0.28 -0.36 -0.61 6.09 -1.95 -1.66 117.51 119.30 1k54 h ILE 150 Ca 0.00 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 1k54 h ILE 150 Cb 0.00 1.04 0.00 0.00 0.47 0.00 0.00 36.82 38.33 1k54 h ILE 150 CO 0.00 0.01 0.00 -0.90 -3.07 0.00 0.00 178.15 174.19 1k54 n ASP 151 N -3.47 3.87 0.00 2.19 5.68 -1.26 -4.58 116.55 118.98 1k54 n ASP 151 Ca -0.03 -2.66 0.00 0.00 -0.50 0.00 0.00 54.79 51.61 1k54 n ASP 151 Cb 0.09 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 1k54 n ASP 151 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1k54 n LYS 152 N 0.07 0.00 0.13 0.11 2.85 -0.70 -4.88 118.16 115.74 1k54 n LYS 152 Ca 0.20 -0.11 0.05 0.00 -1.05 0.00 0.00 58.31 57.40 1k54 n LYS 152 Cb 0.79 -0.30 0.50 0.00 -0.65 0.00 0.00 35.03 35.37 1k54 n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1k54 h PHE 153 N 0.00 0.26 -0.00 5.58 -0.00 -1.60 0.20 116.94 121.37 1k54 h PHE 153 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1k54 h PHE 153 Cb 0.68 -0.08 0.00 0.00 -0.00 0.00 0.00 35.95 36.54 1k54 h PHE 153 CO 0.00 0.21 -0.37 -2.67 -0.00 0.00 0.00 178.31 175.48 1k54 n TRP 154 N -4.46 0.00 -0.10 6.09 2.14 -1.26 -2.50 117.44 117.36 1k54 n TRP 154 Ca -0.00 0.00 -0.17 0.00 2.07 0.00 0.00 57.50 59.40 1k54 n TRP 154 Cb 0.12 -0.28 -0.08 0.00 -0.81 0.00 0.00 31.31 30.25 1k54 n TRP 154 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1k54 n LEU 155 N -1.41 2.19 0.00 5.67 4.77 -0.69 -1.53 117.00 126.00 1k54 n LEU 155 Ca 0.07 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1k54 n LEU 155 Cb 0.33 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1k54 n LEU 155 CO 0.32 0.61 0.05 -0.62 -1.33 0.00 0.00 177.39 176.43 1k54 n GLU 156 N -3.46 0.63 0.00 3.23 1.02 -0.03 -4.91 120.64 117.12 1k54 n GLU 156 Ca -0.36 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.68 1k54 n GLU 156 Cb 0.81 -0.48 0.00 0.00 -0.02 0.00 0.00 31.44 31.75 1k54 n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k54 n GLY 157 N 0.12 1.24 0.98 0.62 0.00 -0.82 -4.98 105.19 102.34 1k54 n GLY 157 Ca 0.00 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.46 1k54 n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k54 n GLN 158 N 0.00 2.32 -2.34 1.61 1.13 -1.06 -4.93 117.38 114.12 1k54 n GLN 158 Ca 0.00 -1.96 -0.41 0.00 -1.94 0.00 0.00 57.00 52.69 1k54 n GLN 158 Cb 0.00 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 28.84 1k54 n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1k54 s LEU 159 N -1.77 4.43 -0.01 1.08 2.96 -0.91 -4.66 118.68 119.80 1k54 s LEU 159 Ca 0.33 2.24 -0.01 0.00 -0.22 0.00 0.00 54.13 56.48 1k54 s LEU 159 Cb 0.21 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.30 1k54 s LEU 159 CO 0.31 -0.43 0.02 -0.13 -1.32 0.00 0.00 176.35 174.80 1k54 s ARG 160 N 0.04 0.04 -0.02 1.98 1.81 -1.26 -3.97 118.95 117.56 1k54 s ARG 160 Ca 0.55 0.01 -0.08 0.00 -1.72 0.00 0.00 55.73 54.49 1k54 s ARG 160 Cb -0.33 0.02 0.01 0.00 -0.45 0.00 0.00 34.95 34.19 1k54 s ARG 160 CO 0.36 -0.01 0.18 -1.50 -0.68 0.00 0.00 175.30 173.65 1k54 s ILE 161 N -0.04 0.06 0.45 1.52 2.07 0.29 -0.99 121.20 124.55 1k54 s ILE 161 Ca -0.01 -0.46 0.04 0.00 -1.41 0.00 0.00 60.65 58.81 1k54 s ILE 161 Cb -0.00 -0.41 0.01 0.00 0.13 0.00 0.00 42.46 42.19 1k54 s ILE 161 CO 0.00 -0.25 0.63 -0.94 -1.91 0.00 0.00 174.94 172.47 1k54 s SER 162 N -0.93 5.66 0.20 4.50 1.04 -1.26 -1.05 113.70 121.87 1k54 s SER 162 Ca -0.10 -0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.17 1k54 s SER 162 Cb -0.05 -1.09 0.14 0.00 0.10 0.00 0.00 66.02 65.12 1k54 s SER 162 CO 0.01 -0.78 1.85 0.00 0.98 0.00 0.00 173.24 175.30 1k54 h ALA 163 N 0.46 0.92 -0.60 5.32 0.00 -1.70 -1.16 119.26 122.49 1k54 h ALA 163 Ca -0.44 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.40 1k54 h ALA 163 Cb 1.27 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1k54 h ALA 163 CO 0.52 0.38 0.39 0.28 0.00 0.00 0.00 179.25 180.83 1k54 h VAL 164 N 0.98 1.14 -0.70 0.00 2.07 -1.74 -2.02 116.25 115.99 1k54 h VAL 164 Ca 0.26 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1k54 h VAL 164 Cb -0.04 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1k54 h VAL 164 CO -0.05 0.15 0.26 -1.13 0.02 0.00 0.00 177.57 176.82 1k54 h ASN 165 N 0.80 0.96 -0.67 0.57 -0.73 -1.74 -1.78 115.58 112.98 1k54 h ASN 165 Ca 0.22 -0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.24 1k54 h ASN 165 Cb -0.08 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.23 1k54 h ASN 165 CO -0.05 0.87 0.40 1.56 -0.37 0.00 0.00 177.43 179.84 1k54 h GLN 166 N 1.01 0.92 -0.64 6.67 1.08 -0.79 -0.19 115.11 123.17 1k54 h GLN 166 Ca 0.23 -0.09 -0.05 0.00 -1.45 0.00 0.00 58.65 57.30 1k54 h GLN 166 Cb 0.22 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 1k54 h GLN 166 CO -0.02 0.66 0.22 0.28 -0.95 0.00 0.00 178.83 179.02 1k54 h VAL 167 N 0.92 1.25 -0.54 -0.54 2.07 -0.91 0.37 116.25 118.87 1k54 h VAL 167 Ca 0.24 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1k54 h VAL 167 Cb -0.02 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1k54 h VAL 167 CO -0.04 0.32 0.25 -0.33 0.02 0.00 0.00 177.57 177.78 1k54 h GLU 168 N 0.92 0.78 -0.27 1.57 5.08 -0.95 -0.34 114.58 121.37 1k54 h GLU 168 Ca 0.21 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1k54 h GLU 168 Cb 0.27 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1k54 h GLU 168 CO -0.01 0.66 0.10 0.35 -1.00 0.00 0.00 179.01 179.11 1k54 h PHE 169 N 0.72 0.41 -0.35 4.33 3.04 -0.75 -2.12 116.94 122.23 1k54 h PHE 169 Ca 0.18 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.02 1k54 h PHE 169 Cb 0.14 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 1k54 h PHE 169 CO -0.00 0.43 -0.12 -0.07 -2.02 0.00 0.00 178.31 176.53 1k54 h LEU 170 N 0.27 0.59 -0.37 0.59 3.38 -0.75 -1.66 115.31 117.36 1k54 h LEU 170 Ca 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1k54 h LEU 170 Cb 0.20 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1k54 h LEU 170 CO -0.01 0.75 0.18 -0.08 0.09 0.00 0.00 178.44 179.37 1k54 h GLU 171 N 0.56 0.53 -0.72 1.13 4.81 -0.92 0.47 114.58 120.44 1k54 h GLU 171 Ca 0.10 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1k54 h GLU 171 Cb 0.54 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1k54 h GLU 171 CO 0.03 0.47 0.42 0.77 -0.73 0.00 0.00 179.01 179.98 1k54 h SER 172 N 0.46 0.64 -0.23 1.04 0.02 -1.04 -0.88 113.55 113.56 1k54 h SER 172 Ca 0.13 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1k54 h SER 172 Cb 0.12 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1k54 h SER 172 CO -0.02 0.41 0.09 0.25 -1.14 0.00 0.00 176.83 176.43 1k54 h LEU 173 N 0.77 0.31 -0.83 5.07 5.85 -0.90 0.16 115.31 125.75 1k54 h LEU 173 Ca 0.32 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.98 1k54 h LEU 173 Cb 0.17 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 1k54 h LEU 173 CO -0.17 0.39 0.45 0.22 -0.34 0.00 0.00 178.44 178.99 1k54 h TYR 174 N 0.21 0.81 -0.03 1.25 3.20 -0.42 -1.15 116.97 120.84 1k54 h TYR 174 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1k54 h TYR 174 Cb 0.18 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1k54 h TYR 174 CO -0.01 0.29 0.00 1.28 -1.64 0.00 0.00 178.16 178.08 1k54 n LEU 175 N -4.79 0.81 -2.34 2.82 4.77 -0.38 -4.91 117.00 112.97 1k54 n LEU 175 Ca 0.15 -0.29 -0.20 0.00 -0.03 0.00 0.00 56.01 55.63 1k54 n LEU 175 Cb 0.33 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1k54 n LEU 175 CO 0.25 0.15 -0.21 0.59 -1.33 0.00 0.00 177.39 176.84 1k54 n ASN 176 N -0.33 -5.67 -0.78 -1.43 3.02 -0.44 -4.90 115.26 104.74 1k54 n ASN 176 Ca 0.19 -0.06 0.12 0.00 -0.03 0.00 0.00 54.58 54.81 1k54 n ASN 176 Cb 0.23 -4.66 0.19 0.00 -0.61 0.00 0.00 39.78 34.92 1k54 n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k54 n LYS 177 N -3.05 2.00 -1.42 3.52 5.02 0.46 -4.86 118.16 119.83 1k54 n LYS 177 Ca -0.21 -1.56 -0.32 0.00 -2.02 0.00 0.00 58.31 54.20 1k54 n LYS 177 Cb 0.67 -1.47 0.08 0.00 -0.02 0.00 0.00 35.03 34.29 1k54 n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k54 s LEU 178 N -2.08 3.20 -1.31 -0.35 1.43 -1.24 -4.86 118.68 113.47 1k54 s LEU 178 Ca 0.29 2.02 -0.16 0.00 -1.03 0.00 0.00 54.13 55.25 1k54 s LEU 178 Cb 0.20 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.87 1k54 s LEU 178 CO 0.35 -2.03 2.15 -1.20 0.23 0.00 0.00 176.35 175.85 1k54 n SER 179 N -3.03 3.61 -3.61 2.29 7.64 -1.26 -4.77 113.62 114.50 1k54 n SER 179 Ca 0.11 -2.81 -0.10 0.00 1.01 0.00 0.00 58.87 57.07 1k54 n SER 179 Cb 0.52 -1.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.14 1k54 n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k54 s ALA 180 N 3.68 -1.22 0.64 -0.43 0.00 -1.26 -5.02 121.76 118.15 1k54 s ALA 180 Ca 0.50 0.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.35 1k54 s ALA 180 Cb 0.14 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 1k54 s ALA 180 CO -0.04 -0.78 1.27 -1.54 0.00 0.00 0.00 175.76 174.67 1k54 s SER 181 N -2.82 4.72 0.27 0.00 1.04 -1.26 -4.87 113.70 110.79 1k54 s SER 181 Ca 0.05 2.55 -0.03 0.00 0.48 0.00 0.00 55.95 59.01 1k54 s SER 181 Cb -0.01 -2.61 0.36 0.00 0.10 0.00 0.00 66.02 63.86 1k54 s SER 181 CO -0.08 -1.92 1.85 0.50 0.98 0.00 0.00 173.24 174.57 1k54 h LYS 182 N 0.58 0.96 -0.25 4.02 3.64 -1.93 -2.13 116.57 121.45 1k54 h LYS 182 Ca -0.51 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 58.77 1k54 h LYS 182 Cb 1.33 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 1k54 h LYS 182 CO 0.53 0.78 -0.11 0.93 -2.27 0.00 0.00 179.45 179.31 1k54 h GLU 183 N 0.94 -0.07 -0.30 1.90 5.08 -1.99 -0.34 114.58 119.80 1k54 h GLU 183 Ca 0.22 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1k54 h GLU 183 Cb 0.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1k54 h GLU 183 CO -0.02 -0.05 -0.21 -0.91 -1.00 0.00 0.00 179.01 176.82 1k54 h ASN 184 N -0.07 0.55 -0.49 1.42 2.35 -1.85 -1.21 115.58 116.27 1k54 h ASN 184 Ca 0.13 -0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.60 1k54 h ASN 184 Cb 0.27 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1k54 h ASN 184 CO -0.30 0.77 -0.07 1.56 -1.65 0.00 0.00 177.43 177.74 1k54 h GLN 185 N 0.50 0.95 -0.64 0.81 4.20 -0.93 -2.46 115.11 117.54 1k54 h GLN 185 Ca 0.08 -0.32 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 1k54 h GLN 185 Cb 0.64 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1k54 h GLN 185 CO 0.05 0.98 0.05 -0.07 -0.67 0.00 0.00 178.83 179.17 1k54 h LEU 186 N 0.86 1.07 -0.24 1.46 3.38 -0.72 -0.54 115.31 120.58 1k54 h LEU 186 Ca 0.15 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1k54 h LEU 186 Cb 0.60 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1k54 h LEU 186 CO 0.04 1.09 0.16 0.40 0.09 0.00 0.00 178.44 180.21 1k54 h ILE 187 N 1.01 1.05 -0.21 1.22 2.04 -1.06 -1.88 117.51 119.69 1k54 h ILE 187 Ca 0.19 -0.11 -0.12 0.00 1.00 0.00 0.00 64.86 65.82 1k54 h ILE 187 Cb 0.51 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1k54 h ILE 187 CO 0.02 0.06 -0.38 0.58 0.00 0.00 0.00 178.15 178.43 1k54 h VAL 188 N 0.32 1.30 -0.31 1.67 2.07 -1.31 -2.41 116.25 117.58 1k54 h VAL 188 Ca 0.09 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.11 1k54 h VAL 188 Cb -0.03 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1k54 h VAL 188 CO -0.03 0.47 0.19 0.11 0.02 0.00 0.00 177.57 178.33 1k54 h LYS 189 N 0.40 0.37 -0.26 1.57 1.57 -0.76 -2.12 116.57 117.34 1k54 h LYS 189 Ca 0.04 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1k54 h LYS 189 Cb 0.85 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1k54 h LYS 189 CO 0.07 0.25 -0.09 1.49 -0.57 0.00 0.00 179.45 180.60 1k54 h GLU 190 N 0.38 0.42 0.00 3.15 4.81 -1.22 -1.76 114.58 120.37 1k54 h GLU 190 Ca 0.12 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1k54 h GLU 190 Cb -0.01 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1k54 h GLU 190 CO -0.05 0.52 -0.06 0.00 -0.73 0.00 0.00 179.01 178.70 1k54 h ALA 191 N 1.51 1.26 -0.01 2.92 0.00 -0.89 -2.62 119.26 121.42 1k54 h ALA 191 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1k54 h ALA 191 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1k54 h ALA 191 CO 0.02 0.07 -0.14 1.28 0.00 0.00 0.00 179.25 180.48 1k54 n LEU 192 N -3.53 1.59 -4.70 0.00 4.77 -0.67 -4.73 117.00 109.73 1k54 n LEU 192 Ca -0.02 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.03 1k54 n LEU 192 Cb 0.18 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1k54 n LEU 192 CO 0.27 0.28 1.35 -0.69 -1.33 0.00 0.00 177.39 177.27 1k54 s VAL 193 N -2.23 2.62 0.00 4.08 1.01 -0.99 -1.15 120.40 123.73 1k54 s VAL 193 Ca 0.30 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1k54 s VAL 193 Cb 0.20 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1k54 s VAL 193 CO 0.42 0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.88 1k54 n THR 194 N 4.41 0.00 -3.76 3.92 -2.24 0.02 -4.91 114.28 111.72 1k54 n THR 194 Ca 0.16 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1k54 n THR 194 Cb 0.38 0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 69.12 1k54 n THR 194 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k54 s GLU 195 N -1.15 0.16 -0.02 -0.78 2.12 -1.18 -4.99 118.70 112.87 1k54 s GLU 195 Ca 0.00 0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.72 1k54 s GLU 195 Cb 0.00 -0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.34 1k54 s GLU 195 CO 0.00 -0.12 0.01 0.00 -0.54 0.00 0.00 175.26 174.61 1k54 s ALA 196 N 0.86 0.22 0.15 6.30 0.00 -1.26 -1.09 121.76 126.94 1k54 s ALA 196 Ca -0.06 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.96 1k54 s ALA 196 Cb -0.08 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1k54 s ALA 196 CO -0.05 -0.06 0.33 0.00 0.00 0.00 0.00 175.76 175.97 1k54 s ALA 197 N 0.87 -0.37 0.29 0.00 0.00 0.73 -5.00 121.76 118.28 1k54 s ALA 197 Ca -0.08 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1k54 s ALA 197 Cb -0.12 0.75 0.67 0.00 0.00 0.00 0.00 23.12 24.43 1k54 s ALA 197 CO -0.02 -0.65 1.79 -1.35 0.00 0.00 0.00 175.76 175.53 1k54 h PRO 198 N 2.49 0.78 0.00 0.00 0.11 -2.02 -2.79 132.00 130.58 1k54 h PRO 198 Ca -0.32 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 1k54 h PRO 198 Cb 1.23 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1k54 h PRO 198 CO 0.48 0.52 -0.42 0.39 -0.21 0.00 0.00 178.00 178.75 1k54 n GLU 199 N -4.74 1.30 -3.66 1.05 1.02 -1.26 -4.98 120.64 109.36 1k54 n GLU 199 Ca 0.22 -2.91 -0.11 0.00 -0.02 0.00 0.00 57.16 54.34 1k54 n GLU 199 Cb 0.51 -1.39 -0.11 0.00 -0.02 0.00 0.00 31.44 30.42 1k54 n GLU 199 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1k54 s TYR 200 N -2.71 -0.59 -0.03 -0.32 6.14 -1.05 -1.15 117.35 117.64 1k54 s TYR 200 Ca 0.35 1.23 0.00 0.00 0.64 0.00 0.00 57.07 59.28 1k54 s TYR 200 Cb 0.33 0.13 0.03 0.00 0.42 0.00 0.00 41.96 42.87 1k54 s TYR 200 CO -0.05 -0.41 0.01 -1.17 0.64 0.00 0.00 175.55 174.57 1k54 s LEU 201 N 2.41 1.12 -0.09 6.97 2.96 0.06 -0.19 118.68 131.92 1k54 s LEU 201 Ca -0.01 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 1k54 s LEU 201 Cb -0.12 -0.19 -0.01 0.00 0.50 0.00 0.00 46.19 46.38 1k54 s LEU 201 CO -0.11 -0.11 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.90 1k54 s VAL 202 N 1.06 2.21 -0.13 1.68 1.01 -0.25 -0.24 120.40 125.74 1k54 s VAL 202 Ca -0.09 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1k54 s VAL 202 Cb -0.13 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1k54 s VAL 202 CO -0.02 0.56 -0.14 -1.00 0.00 0.00 0.00 175.10 174.50 1k54 s HIS 203 N 0.11 2.78 0.22 5.22 3.76 -0.52 -0.80 115.29 126.07 1k54 s HIS 203 Ca -0.11 -0.76 -0.21 0.00 -0.15 0.00 0.00 55.06 53.83 1k54 s HIS 203 Cb -0.16 -1.84 0.04 0.00 1.11 0.00 0.00 32.58 31.73 1k54 s HIS 203 CO 0.06 -0.28 0.63 -1.54 -0.85 0.00 0.00 174.74 172.76 1k54 s SER 204 N 0.45 -0.35 -0.19 1.40 1.04 -0.30 -0.63 113.70 115.11 1k54 s SER 204 Ca -0.11 -0.40 -0.16 0.00 0.48 0.00 0.00 55.95 55.77 1k54 s SER 204 Cb -0.16 0.65 0.05 0.00 0.10 0.00 0.00 66.02 66.67 1k54 s SER 204 CO 0.05 -1.16 0.50 -0.75 0.98 0.00 0.00 173.24 172.86 1k54 s LYS 205 N -3.86 0.56 0.36 4.02 2.47 -0.18 -4.81 119.74 118.30 1k54 s LYS 205 Ca 0.08 0.78 0.07 0.00 -1.56 0.00 0.00 55.97 55.33 1k54 s LYS 205 Cb -0.03 0.20 -0.00 0.00 -1.46 0.00 0.00 37.83 36.54 1k54 s LYS 205 CO -0.01 -0.10 0.50 0.95 0.16 0.00 0.00 175.35 176.85 1k54 s THR 206 N 0.66 3.79 0.00 3.43 -4.23 -1.26 -1.35 115.64 116.68 1k54 s THR 206 Ca -0.03 -0.99 -0.15 0.00 -1.18 0.00 0.00 61.69 59.34 1k54 s THR 206 Cb -0.05 -3.30 0.02 0.00 1.34 0.00 0.00 72.50 70.51 1k54 s THR 206 CO -0.04 -0.12 0.33 -0.83 -0.54 0.00 0.00 174.62 173.42 1k54 s GLY 207 N -4.22 -0.17 -0.28 3.99 0.00 -0.52 -3.52 107.32 102.59 1k54 s GLY 207 Ca 0.48 0.29 0.02 0.00 0.00 0.00 0.00 44.72 45.50 1k54 s GLY 207 CO 0.32 0.07 0.51 -0.12 0.00 0.00 0.00 173.10 173.88 1k54 s PHE 208 N -1.69 -1.41 0.08 1.90 5.36 -1.26 -0.37 117.98 120.58 1k54 s PHE 208 Ca -0.11 1.03 0.20 0.00 -0.96 0.00 0.00 56.93 57.09 1k54 s PHE 208 Cb -0.04 0.22 0.64 0.00 -0.34 0.00 0.00 43.02 43.51 1k54 s PHE 208 CO 0.02 -0.95 1.71 0.66 -1.46 0.00 0.00 175.22 175.21 1k54 h SER 209 N 8.07 0.00 -4.26 6.13 4.64 -1.33 -3.45 113.55 123.35 1k54 h SER 209 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1k54 h SER 209 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1k54 h SER 209 CO 0.23 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 1k54 n GLY 210 N 0.41 0.92 0.14 -0.77 0.00 -1.26 -4.89 105.19 99.74 1k54 n GLY 210 Ca 0.00 -2.04 0.12 0.00 0.00 0.00 0.00 46.02 44.11 1k54 n GLY 210 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k54 n VAL 211 N 1.40 0.00 -0.95 1.61 0.24 -1.26 -3.58 118.33 115.79 1k54 n VAL 211 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1k54 n VAL 211 Cb 0.00 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1k54 n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k54 n GLY 212 N 1.44 2.38 3.71 7.63 0.00 -1.26 -3.32 105.19 115.77 1k54 n GLY 212 Ca 0.08 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1k54 n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k54 s THR 213 N 0.00 1.14 0.26 2.61 -4.23 0.58 -4.87 115.64 111.13 1k54 s THR 213 Ca 0.00 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1k54 s THR 213 Cb 0.00 -2.27 0.07 0.00 1.34 0.00 0.00 72.50 71.64 1k54 s THR 213 CO 0.00 0.00 1.71 1.05 -0.54 0.00 0.00 174.62 176.84 1k54 h GLU 214 N 1.47 0.64 0.22 3.99 9.09 -1.92 -2.20 114.58 125.86 1k54 h GLU 214 Ca -0.43 -0.22 -0.33 0.00 0.05 0.00 0.00 59.36 58.43 1k54 h GLU 214 Cb 1.30 -0.05 0.03 0.00 -1.65 0.00 0.00 28.75 28.38 1k54 h GLU 214 CO 0.72 0.78 -1.47 0.77 0.05 0.00 0.00 179.01 179.86 1k54 h SER 215 N 0.57 0.73 -3.00 3.06 0.02 -1.96 -3.39 113.55 109.59 1k54 h SER 215 Ca 0.09 -0.82 -0.62 0.00 -0.84 0.00 0.00 61.79 59.61 1k54 h SER 215 Cb 0.62 -0.24 -0.41 0.00 0.14 0.00 0.00 62.40 62.51 1k54 h SER 215 CO 0.04 1.65 -0.64 0.20 -1.14 0.00 0.00 176.83 176.94 1k54 s ASN 216 N -7.46 4.28 0.69 3.07 0.02 -1.20 -5.11 114.94 109.24 1k54 s ASN 216 Ca -0.09 -3.72 -0.11 0.00 -1.02 0.00 0.00 52.86 47.92 1k54 s ASN 216 Cb 0.05 -1.44 0.01 0.00 0.02 0.00 0.00 41.25 39.88 1k54 s ASN 216 CO 0.92 -0.10 1.06 -2.16 0.02 0.00 0.00 177.10 176.85 1k54 s PRO 217 N -1.20 2.94 0.46 -0.60 0.04 -0.83 -0.31 135.00 135.49 1k54 s PRO 217 Ca 0.26 0.98 -0.08 0.00 0.04 0.00 0.00 61.00 62.20 1k54 s PRO 217 Cb -0.03 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.62 1k54 s PRO 217 CO -0.17 -1.10 0.57 0.41 0.04 0.00 0.00 177.00 176.76 1k54 n GLY 218 N -1.91 -1.53 3.13 0.56 0.00 -0.48 -4.78 105.19 100.18 1k54 n GLY 218 Ca 0.08 -1.65 -0.20 0.00 0.00 0.00 0.00 46.02 44.25 1k54 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k54 s VAL 219 N -2.22 1.07 0.03 1.61 0.11 -1.26 -1.58 120.40 118.16 1k54 s VAL 219 Ca 0.33 -0.90 0.08 0.00 -2.93 0.00 0.00 61.98 58.57 1k54 s VAL 219 Cb -0.01 -0.95 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 1k54 s VAL 219 CO 0.24 0.05 -0.23 0.00 -3.33 0.00 0.00 175.10 171.83 1k54 s ALA 220 N -0.74 1.96 0.11 1.54 0.00 -0.50 -0.79 121.76 123.35 1k54 s ALA 220 Ca 0.02 -1.12 0.06 0.00 0.00 0.00 0.00 51.96 50.92 1k54 s ALA 220 Cb -0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1k54 s ALA 220 CO 0.01 0.46 -0.14 -1.58 0.00 0.00 0.00 175.76 174.50 1k54 s TRP 221 N -0.74 1.38 -0.09 0.00 0.52 0.50 -1.53 118.94 118.98 1k54 s TRP 221 Ca 0.09 -0.54 -0.04 0.00 0.02 0.00 0.00 56.10 55.64 1k54 s TRP 221 Cb -0.09 -0.73 0.05 0.00 -1.15 0.00 0.00 33.47 31.55 1k54 s TRP 221 CO 0.01 0.13 0.18 -0.46 0.02 0.00 0.00 176.95 176.83 1k54 s TRP 222 N -1.96 -0.21 0.11 -1.98 -0.00 -0.29 -1.44 118.94 113.16 1k54 s TRP 222 Ca 0.07 0.64 0.04 0.00 -0.00 0.00 0.00 56.10 56.85 1k54 s TRP 222 Cb -0.06 -0.24 -0.04 0.00 -0.00 0.00 0.00 33.47 33.14 1k54 s TRP 222 CO 0.03 -0.30 -0.10 0.14 -0.00 0.00 0.00 176.95 176.72 1k54 s VAL 223 N 2.31 1.00 -4.82 5.86 -7.23 -0.46 -0.30 120.40 116.76 1k54 s VAL 223 Ca 0.03 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1k54 s VAL 223 Cb -0.12 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.37 1k54 s VAL 223 CO -0.06 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 174.76 1k54 n GLY 224 N 0.44 -0.49 3.23 2.32 0.00 -0.54 -1.01 105.19 109.14 1k54 n GLY 224 Ca -0.15 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 1k54 n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k54 s TRP 225 N -3.17 -0.04 -0.11 1.61 -2.14 0.19 -1.02 118.94 114.27 1k54 s TRP 225 Ca 0.00 -0.15 0.03 0.00 2.66 0.00 0.00 56.10 58.64 1k54 s TRP 225 Cb 0.00 0.05 0.00 0.00 -3.10 0.00 0.00 33.47 30.42 1k54 s TRP 225 CO 0.00 -0.49 -0.23 0.08 -2.66 0.00 0.00 176.95 173.65 1k54 s VAL 226 N -2.68 2.03 -0.31 -0.66 1.01 0.12 -1.44 120.40 118.46 1k54 s VAL 226 Ca -0.04 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 1k54 s VAL 226 Cb -0.00 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 1k54 s VAL 226 CO -0.04 0.55 0.15 -1.61 0.00 0.00 0.00 175.10 174.14 1k54 s GLU 227 N 0.52 3.24 -0.17 2.72 2.02 0.66 -0.33 118.70 127.36 1k54 s GLU 227 Ca -0.15 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.07 1k54 s GLU 227 Cb -0.17 -3.55 0.03 0.00 0.10 0.00 0.00 34.13 30.54 1k54 s GLU 227 CO 0.05 -0.45 -0.14 0.21 0.02 0.00 0.00 175.26 174.95 1k54 s LYS 228 N 1.59 2.37 5.45 1.61 2.20 -0.51 -0.76 119.74 131.69 1k54 s LYS 228 Ca 0.04 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 1k54 s LYS 228 Cb -0.17 -2.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 1k54 s LYS 228 CO 0.06 -0.29 0.00 0.39 -0.36 0.00 0.00 175.35 175.15 1k54 n GLU 229 N 4.71 0.00 -0.61 4.03 1.02 -0.30 -1.11 120.64 128.38 1k54 n GLU 229 Ca -0.17 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.05 1k54 n GLU 229 Cb 0.49 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.24 1k54 n GLU 229 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1k54 n THR 230 N 0.00 2.14 -4.12 2.62 -2.24 -1.26 -4.95 114.28 106.47 1k54 n THR 230 Ca 0.00 -1.42 -0.25 0.00 -2.27 0.00 0.00 64.05 60.11 1k54 n THR 230 Cb 0.00 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 1k54 n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k54 s GLU 231 N -2.29 2.81 -0.01 -0.78 2.56 -0.27 -5.13 118.70 115.59 1k54 s GLU 231 Ca 0.47 -0.97 0.04 0.00 0.00 0.00 0.00 54.97 54.51 1k54 s GLU 231 Cb 0.34 -2.56 -0.01 0.00 2.00 0.00 0.00 34.13 33.89 1k54 s GLU 231 CO 0.17 0.46 -0.13 0.54 -0.56 0.00 0.00 175.26 175.73 1k54 s VAL 232 N -1.86 1.06 -0.09 3.70 0.11 -1.26 -1.42 120.40 120.65 1k54 s VAL 232 Ca 0.31 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.79 1k54 s VAL 232 Cb -0.09 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1k54 s VAL 232 CO 0.23 0.29 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.86 1k54 s TYR 233 N -0.33 1.57 -0.11 1.54 1.51 0.55 -0.35 117.35 121.74 1k54 s TYR 233 Ca 0.05 -0.67 -0.06 0.00 -1.01 0.00 0.00 57.07 55.38 1k54 s TYR 233 Cb -0.05 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 1k54 s TYR 233 CO -0.00 -0.37 0.12 -0.06 -1.11 0.00 0.00 175.55 174.12 1k54 s PHE 234 N 0.97 3.52 0.03 2.71 0.40 0.22 0.11 117.98 125.94 1k54 s PHE 234 Ca -0.08 0.47 -0.07 0.00 -0.60 0.00 0.00 56.93 56.65 1k54 s PHE 234 Cb -0.15 -1.91 -0.00 0.00 0.51 0.00 0.00 43.02 41.47 1k54 s PHE 234 CO -0.00 0.69 0.12 -0.59 0.70 0.00 0.00 175.22 176.14 1k54 s PHE 235 N -1.01 0.12 -0.15 0.36 -0.12 -0.19 -0.36 117.98 116.63 1k54 s PHE 235 Ca 0.15 -0.34 -0.08 0.00 -0.05 0.00 0.00 56.93 56.61 1k54 s PHE 235 Cb -0.12 -0.09 0.05 0.00 -0.63 0.00 0.00 43.02 42.23 1k54 s PHE 235 CO 0.04 -0.34 0.36 0.00 -0.05 0.00 0.00 175.22 175.23 1k54 s ALA 236 N -2.14 -0.91 -0.02 1.99 0.00 -0.53 -1.47 121.76 118.67 1k54 s ALA 236 Ca -0.09 1.36 0.03 0.00 0.00 0.00 0.00 51.96 53.27 1k54 s ALA 236 Cb -0.04 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 1k54 s ALA 236 CO -0.02 -0.24 -0.12 0.12 0.00 0.00 0.00 175.76 175.49 1k54 s PHE 237 N 1.30 1.17 0.04 0.00 2.19 0.58 -0.66 117.98 122.61 1k54 s PHE 237 Ca -0.09 -0.27 -0.06 0.00 0.33 0.00 0.00 56.93 56.84 1k54 s PHE 237 Cb -0.09 -0.79 -0.01 0.00 -1.31 0.00 0.00 43.02 40.82 1k54 s PHE 237 CO -0.11 -0.07 0.11 0.54 1.83 0.00 0.00 175.22 177.52 1k54 s ASN 238 N -0.06 0.17 0.03 6.13 2.20 -0.89 -1.14 114.94 121.38 1k54 s ASN 238 Ca 0.00 -0.55 -0.18 0.00 -0.94 0.00 0.00 52.86 51.19 1k54 s ASN 238 Cb -0.07 0.24 0.04 0.00 -2.00 0.00 0.00 41.25 39.46 1k54 s ASN 238 CO 0.00 -0.54 0.41 0.00 -2.94 0.00 0.00 177.10 174.04 1k54 s MET 239 N -2.78 0.89 0.26 3.55 0.23 -0.58 -0.86 119.30 120.01 1k54 s MET 239 Ca -0.03 -0.30 -0.30 0.00 -1.03 0.00 0.00 55.69 54.03 1k54 s MET 239 Cb -0.00 0.40 -0.09 0.00 -1.53 0.00 0.00 34.83 33.60 1k54 s MET 239 CO -0.05 -0.29 1.09 -0.51 -2.03 0.00 0.00 175.02 173.22 1k54 s ASP 240 N -1.85 7.29 -0.05 -1.18 1.01 -0.19 -1.41 116.67 120.30 1k54 s ASP 240 Ca -0.07 2.23 -0.02 0.00 0.71 0.00 0.00 52.55 55.40 1k54 s ASP 240 Cb -0.01 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 41.33 1k54 s ASP 240 CO -0.01 -0.13 0.11 -0.51 0.21 0.00 0.00 175.17 174.85 1k54 s ILE 241 N -1.04 -0.07 0.00 0.77 2.07 -0.62 -4.69 121.20 117.62 1k54 s ILE 241 Ca 0.45 0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.91 1k54 s ILE 241 Cb -0.31 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.08 1k54 s ILE 241 CO 0.40 0.09 0.61 -0.90 -1.91 0.00 0.00 174.94 173.22 1k54 n ASP 242 N 4.35 1.09 -3.65 4.50 3.85 -1.26 -1.38 116.55 124.06 1k54 n ASP 242 Ca -0.24 -1.35 -0.20 0.00 -0.71 0.00 0.00 54.79 52.29 1k54 n ASP 242 Cb 0.51 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 40.11 1k54 n ASP 242 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1k54 s ASN 243 N -0.35 1.25 0.60 -1.12 3.84 -1.26 -4.89 114.94 113.01 1k54 s ASN 243 Ca 0.00 0.02 0.30 0.00 0.21 0.00 0.00 52.86 53.39 1k54 s ASN 243 Cb 0.00 -0.01 1.74 0.00 -0.55 0.00 0.00 41.25 42.44 1k54 s ASN 243 CO 0.00 -0.27 2.12 -0.08 -2.79 0.00 0.00 177.10 176.08 1k54 h GLU 244 N 8.41 0.00 0.00 0.43 4.81 -1.97 -1.58 114.58 124.68 1k54 h GLU 244 Ca -0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1k54 h GLU 244 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1k54 h GLU 244 CO 0.18 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.12 1k54 h SER 245 N 0.00 0.00 0.15 1.04 4.64 -2.04 -2.42 113.55 114.92 1k54 h SER 245 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1k54 h SER 245 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1k54 h SER 245 CO -0.00 0.00 -0.13 0.29 -0.87 0.00 0.00 176.83 176.12 1k54 n LYS 246 N -2.93 1.13 -0.25 4.77 4.76 -0.59 -4.50 118.16 120.55 1k54 n LYS 246 Ca -0.01 -0.60 0.05 0.00 -2.87 0.00 0.00 58.31 54.88 1k54 n LYS 246 Cb 0.19 -1.49 0.18 0.00 -1.84 0.00 0.00 35.03 32.07 1k54 n LYS 246 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1k54 h LEU 247 N 1.47 0.14 -2.25 -0.35 5.85 -1.60 -1.73 115.31 116.84 1k54 h LEU 247 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1k54 h LEU 247 Cb 0.46 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1k54 h LEU 247 CO 0.00 0.03 0.14 -0.65 -0.34 0.00 0.00 178.44 177.62 1k54 h PRO 248 N 0.34 0.00 0.00 5.25 0.11 -1.85 -1.31 132.00 134.55 1k54 h PRO 248 Ca 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.51 1k54 h PRO 248 Cb 0.66 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.77 1k54 h PRO 248 CO -0.45 0.00 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.22 1k54 h LEU 249 N 0.00 0.00 -2.19 2.35 3.38 -1.66 -1.44 115.31 115.75 1k54 h LEU 249 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k54 h LEU 249 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1k54 h LEU 249 CO 0.00 0.04 0.00 0.08 0.09 0.00 0.00 178.44 178.65 1k54 h ARG 250 N 0.00 0.00 0.00 1.13 0.11 -1.43 -1.73 114.38 112.45 1k54 h ARG 250 Ca -0.00 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.84 1k54 h ARG 250 Cb 0.19 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.23 1k54 h ARG 250 CO 0.01 0.00 -1.90 1.63 0.10 0.00 0.00 179.97 179.80 1k54 n LYS 251 N -3.00 0.70 -0.07 0.08 5.02 -0.67 -4.39 118.16 115.83 1k54 n LYS 251 Ca -0.01 0.07 -0.11 0.00 -2.02 0.00 0.00 58.31 56.24 1k54 n LYS 251 Cb 0.17 -1.32 0.03 0.00 -0.02 0.00 0.00 35.03 33.89 1k54 n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k54 h SER 252 N 0.00 0.84 0.17 4.39 4.64 -1.18 -1.31 113.55 121.10 1k54 h SER 252 Ca -0.35 -0.38 -0.01 0.00 -0.47 0.00 0.00 61.79 60.58 1k54 h SER 252 Cb 1.60 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1k54 h SER 252 CO -0.04 1.13 -0.08 0.40 -0.87 0.00 0.00 176.83 177.37 1k54 h ILE 253 N 0.65 0.93 -0.79 0.95 2.04 -1.58 -1.02 117.51 118.68 1k54 h ILE 253 Ca 0.05 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1k54 h ILE 253 Cb 0.95 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 1k54 h ILE 253 CO 0.09 0.11 0.43 -0.65 0.00 0.00 0.00 178.15 178.12 1k54 h PRO 254 N -0.45 1.10 -0.24 2.37 0.11 -1.77 -2.05 132.00 131.07 1k54 h PRO 254 Ca -0.02 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 1k54 h PRO 254 Cb 0.35 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1k54 h PRO 254 CO 0.04 0.81 0.12 1.15 -0.21 0.00 0.00 178.00 179.91 1k54 h THR 255 N 1.10 1.13 -0.83 -1.15 2.02 -1.16 0.47 112.91 114.50 1k54 h THR 255 Ca 0.28 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1k54 h THR 255 Cb 0.04 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1k54 h THR 255 CO -0.04 0.13 0.55 0.11 0.37 0.00 0.00 175.52 176.64 1k54 h LYS 256 N 0.27 1.08 -0.24 6.66 1.57 -0.96 0.36 116.57 125.31 1k54 h LYS 256 Ca 0.08 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1k54 h LYS 256 Cb 0.10 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1k54 h LYS 256 CO -0.01 0.71 0.07 0.82 -0.57 0.00 0.00 179.45 180.47 1k54 h ILE 257 N 1.11 1.20 -0.52 1.86 2.04 -1.11 -0.22 117.51 121.88 1k54 h ILE 257 Ca 0.31 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1k54 h ILE 257 Cb -0.10 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1k54 h ILE 257 CO -0.08 0.21 0.12 0.24 0.00 0.00 0.00 178.15 178.64 1k54 h MET 258 N 0.22 0.83 -0.64 2.37 2.86 -0.42 -1.83 114.93 118.32 1k54 h MET 258 Ca 0.08 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1k54 h MET 258 Cb 0.25 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1k54 h MET 258 CO -0.00 0.80 0.27 0.93 1.06 0.00 0.00 176.91 179.97 1k54 h GLU 259 N 0.72 0.92 0.00 1.72 5.08 -0.18 0.30 114.58 123.14 1k54 h GLU 259 Ca 0.16 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1k54 h GLU 259 Cb 0.35 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1k54 h GLU 259 CO 0.00 0.74 -0.10 0.66 -1.00 0.00 0.00 179.01 179.31 1k54 h SER 260 N 0.91 0.00 -0.11 1.42 4.64 -0.53 -1.05 113.55 118.84 1k54 h SER 260 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1k54 h SER 260 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1k54 h SER 260 CO -0.02 0.10 0.00 -0.62 -0.87 0.00 0.00 176.83 175.42 1k54 n GLU 261 N -3.48 1.79 -0.64 4.77 -0.58 -0.41 -4.92 120.64 117.17 1k54 n GLU 261 Ca -0.01 -1.17 0.00 0.00 -0.42 0.00 0.00 57.16 55.56 1k54 n GLU 261 Cb 0.25 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1k54 n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k54 n GLY 262 N 1.19 0.74 3.48 0.62 0.00 -0.40 -4.99 105.19 105.83 1k54 n GLY 262 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1k54 n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k54 s ILE 263 N -2.55 4.41 0.11 -0.61 1.01 -0.04 -4.94 121.20 118.60 1k54 s ILE 263 Ca 0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.46 1k54 s ILE 263 Cb 0.00 -4.82 0.04 0.00 0.01 0.00 0.00 42.46 37.69 1k54 s ILE 263 CO 0.00 -1.60 0.45 -0.51 0.00 0.00 0.00 174.94 173.28 1k54 s ILE 264 N 3.66 0.05 -2.31 2.92 2.07 -1.26 -3.53 121.20 122.79 1k54 s ILE 264 Ca 0.33 -0.42 0.29 0.00 -1.41 0.00 0.00 60.65 59.44 1k54 s ILE 264 Cb -0.07 -1.09 0.68 0.00 0.13 0.00 0.00 42.46 42.11 1k54 s ILE 264 CO -0.03 -0.23 1.93 0.61 -1.91 0.00 0.00 174.94 175.30