#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrs n SER 5 N 0.00 -2.37 -0.08 1.69 3.41 -1.26 -5.00 113.62 110.01 1wrs n SER 5 Ca 0.00 -2.90 -0.04 0.00 -0.26 0.00 0.00 58.87 55.67 1wrs n SER 5 Cb 0.00 1.53 0.18 0.00 -0.26 0.00 0.00 64.21 65.66 1wrs n SER 5 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1wrs h PRO 6 N 3.60 0.73 -3.51 4.33 0.14 -2.04 -3.47 132.00 131.78 1wrs h PRO 6 Ca -0.17 -0.20 -0.26 0.00 0.14 0.00 0.00 66.00 65.51 1wrs h PRO 6 Cb 1.09 -0.08 0.06 0.00 0.14 0.00 0.00 31.00 32.21 1wrs h PRO 6 CO 0.16 0.76 -0.41 0.98 0.14 0.00 0.00 178.00 179.63 1wrs n TYR 7 N -4.21 -1.52 -1.55 1.56 9.36 -1.26 -4.86 117.16 114.68 1wrs n TYR 7 Ca 0.02 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.71 1wrs n TYR 7 Cb 0.30 -3.42 0.00 0.00 -0.63 0.00 0.00 39.34 35.59 1wrs n TYR 7 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1wrs n SER 8 N -1.19 0.00 -3.46 2.98 2.88 -1.26 -5.06 113.62 108.52 1wrs n SER 8 Ca -0.04 -1.00 -0.15 0.00 -1.33 0.00 0.00 58.87 56.35 1wrs n SER 8 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1wrs n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wrs n ALA 9 N 0.00 -2.67 -3.86 -1.46 0.00 -1.26 -4.97 120.51 106.28 1wrs n ALA 9 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1wrs n ALA 9 Cb 0.49 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.74 1wrs n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrs s ALA 10 N -2.90 -2.23 0.00 0.00 0.00 -1.26 -5.06 121.76 110.31 1wrs s ALA 10 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1wrs s ALA 10 Cb -0.00 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.83 1wrs s ALA 10 CO 0.83 -1.11 0.00 0.00 0.00 0.00 0.00 175.76 175.49 1wrs n MET 11 N -0.74 0.00 0.00 0.00 0.00 -1.26 -4.94 117.12 110.18 1wrs n MET 11 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1wrs n MET 11 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.82 1wrs n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wrs n ALA 12 N 0.00 -0.03 0.72 3.17 0.00 -1.26 -3.59 120.51 119.51 1wrs n ALA 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wrs n ALA 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wrs n ALA 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wrs n GLU 13 N -0.71 0.80 -1.74 0.00 2.13 -1.26 -4.88 120.64 114.99 1wrs n GLU 13 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 1wrs n GLU 13 Cb 0.00 -1.10 -0.01 0.00 0.27 0.00 0.00 31.44 30.60 1wrs n GLU 13 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1wrs n GLN 14 N 0.67 2.50 -2.31 5.31 7.27 -1.24 -4.87 117.38 124.71 1wrs n GLN 14 Ca 0.00 0.88 -0.41 0.00 0.07 0.00 0.00 57.00 57.54 1wrs n GLN 14 Cb 0.40 -2.60 -0.03 0.00 2.41 0.00 0.00 30.24 30.43 1wrs n GLN 14 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1wrs s ARG 15 N -1.18 3.23 0.00 3.69 0.52 -1.26 -4.57 118.95 119.38 1wrs s ARG 15 Ca 0.60 0.59 0.00 0.00 -0.52 0.00 0.00 55.73 56.40 1wrs s ARG 15 Cb -0.52 -4.16 0.00 0.00 0.52 0.00 0.00 34.95 30.79 1wrs s ARG 15 CO 0.55 -2.01 0.00 1.58 0.02 0.00 0.00 175.30 175.44 1wrs n HIS 16 N 10.01 0.00 0.00 -0.53 -0.00 -1.26 -4.83 115.22 118.61 1wrs n HIS 16 Ca 0.15 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.33 1wrs n HIS 16 Cb 0.49 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 1wrs n HIS 16 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1wrs n GLN 17 N 0.00 0.00 -0.28 1.57 6.02 -1.26 -3.00 117.38 120.43 1wrs n GLN 17 Ca 0.00 0.00 0.34 0.00 -0.01 0.00 0.00 57.00 57.33 1wrs n GLN 17 Cb 0.10 -0.08 0.72 0.00 1.02 0.00 0.00 30.24 32.00 1wrs n GLN 17 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1wrs h GLU 18 N 0.00 0.00 0.29 -1.09 3.07 -1.96 1.86 114.58 116.75 1wrs h GLU 18 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1wrs h GLU 18 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1wrs h GLU 18 CO 0.00 0.00 -0.14 2.35 -1.40 0.00 0.00 179.01 179.82 1wrs h TRP 19 N 0.00 -0.36 -0.88 4.33 2.91 -1.88 -2.43 115.95 117.64 1wrs h TRP 19 Ca 0.53 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.62 1wrs h TRP 19 Cb 2.29 0.12 -0.06 0.00 -0.51 0.00 0.00 29.16 31.00 1wrs h TRP 19 CO 0.00 -0.14 0.57 1.25 -1.03 0.00 0.00 178.44 179.09 1wrs h LEU 20 N -0.51 0.83 0.00 0.65 6.46 0.29 -2.95 115.31 120.07 1wrs h LEU 20 Ca -0.04 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1wrs h LEU 20 Cb 0.38 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1wrs h LEU 20 CO 0.06 0.51 0.00 0.54 -0.62 0.00 0.00 178.44 178.94 1wrs n ARG 21 N -4.51 0.00 -0.15 1.25 1.74 -0.06 0.03 116.66 114.96 1wrs n ARG 21 Ca 0.14 0.68 0.05 0.00 -0.77 0.00 0.00 57.85 57.95 1wrs n ARG 21 Cb 0.25 -1.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.30 1wrs n ARG 21 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wrs n PHE 22 N -2.36 0.24 -0.02 -1.55 7.35 -1.10 0.24 117.46 120.26 1wrs n PHE 22 Ca 0.00 0.52 -0.13 0.00 -0.76 0.00 0.00 57.45 57.08 1wrs n PHE 22 Cb 0.00 -0.80 -0.09 0.00 0.35 0.00 0.00 39.48 38.94 1wrs n PHE 22 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1wrs h VAL 23 N 0.00 1.35 0.00 -2.13 2.07 -1.27 -2.84 116.25 113.44 1wrs h VAL 23 Ca 0.24 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1wrs h VAL 23 Cb 0.46 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1wrs h VAL 23 CO -0.41 0.29 0.00 -0.67 0.02 0.00 0.00 177.57 176.80 1wrs n ASP 24 N -4.81 0.00 -0.33 0.57 2.03 0.66 -1.37 116.55 113.31 1wrs n ASP 24 Ca -0.08 0.68 0.26 0.00 0.52 0.00 0.00 54.79 56.17 1wrs n ASP 24 Cb 0.25 -0.18 0.49 0.00 -0.72 0.00 0.00 41.12 40.96 1wrs n ASP 24 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wrs h LEU 25 N 0.00 0.19 0.01 -2.67 3.38 -1.56 0.25 115.31 114.90 1wrs h LEU 25 Ca 0.00 0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.24 1wrs h LEU 25 Cb 0.00 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1wrs h LEU 25 CO 0.00 -0.34 -0.51 0.25 0.09 0.00 0.00 178.44 177.93 1wrs h LEU 26 N 0.09 -1.56 -0.38 1.67 7.12 -0.96 -0.89 115.31 120.40 1wrs h LEU 26 Ca 0.76 0.18 -0.18 0.00 0.13 0.00 0.00 57.88 58.77 1wrs h LEU 26 Cb 1.86 0.59 -0.00 0.00 -0.53 0.00 0.00 40.66 42.58 1wrs h LEU 26 CO -0.75 -0.51 -0.57 0.50 -0.13 0.00 0.00 178.44 176.97 1wrs h LYS 27 N -0.66 0.72 0.00 1.25 3.64 -0.00 -2.35 116.57 119.18 1wrs h LYS 27 Ca 0.02 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1wrs h LYS 27 Cb 0.71 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1wrs h LYS 27 CO -0.35 1.09 0.00 -0.91 -2.27 0.00 0.00 179.45 177.02 1wrs h ASN 28 N 0.55 0.00 0.00 4.20 4.21 -0.26 -2.98 115.58 121.30 1wrs h ASN 28 Ca 0.01 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.20 1wrs h ASN 28 Cb 1.16 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.30 1wrs h ASN 28 CO 0.12 0.00 -2.15 0.00 -1.29 0.00 0.00 177.43 174.11 1wrs n ALA 29 N -1.80 1.59 -0.36 -0.83 0.00 -0.37 -4.43 120.51 114.30 1wrs n ALA 29 Ca -0.01 -0.85 0.37 0.00 0.00 0.00 0.00 53.44 52.95 1wrs n ALA 29 Cb 0.04 0.10 0.67 0.00 0.00 0.00 0.00 19.45 20.26 1wrs n ALA 29 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1wrs h TYR 30 N -0.26 0.00 -0.83 0.00 5.03 -1.26 0.47 116.97 120.12 1wrs h TYR 30 Ca -0.48 0.00 0.15 0.00 2.58 0.00 0.00 58.73 60.99 1wrs h TYR 30 Cb 1.62 0.00 -0.10 0.00 1.55 0.00 0.00 36.73 39.80 1wrs h TYR 30 CO -0.01 0.00 0.40 0.37 -1.32 0.00 0.00 178.16 177.60 1wrs h GLN 31 N 0.00 0.54 0.00 1.82 4.15 -1.77 -3.36 115.11 116.49 1wrs h GLN 31 Ca 0.61 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 60.00 1wrs h GLN 31 Cb 2.84 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 30.41 1wrs h GLN 31 CO -0.01 0.36 0.00 0.09 -1.93 0.00 0.00 178.83 177.34 1wrs n ASN 32 N -4.92 0.00 0.00 -0.69 3.02 0.16 -5.05 115.26 107.78 1wrs n ASN 32 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1wrs n ASN 32 Cb 0.46 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1wrs n ASN 32 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1wrs n ASP 33 N -2.27 0.00 -0.12 6.41 8.00 -1.03 -4.99 116.55 122.54 1wrs n ASP 33 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1wrs n ASP 33 Cb 0.00 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.32 1wrs n ASP 33 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wrs n LEU 34 N 0.00 0.86 0.11 0.64 7.99 -1.25 -4.11 117.00 121.25 1wrs n LEU 34 Ca 0.00 -0.22 0.04 0.00 -0.01 0.00 0.00 56.01 55.83 1wrs n LEU 34 Cb 0.00 -0.15 0.23 0.00 -0.11 0.00 0.00 43.42 43.39 1wrs n LEU 34 CO 0.00 0.18 0.70 0.00 -1.51 0.00 0.00 177.39 176.76 1wrs n HIS 35 N -1.11 0.29 -0.02 -1.77 1.44 -1.26 -2.33 115.22 110.46 1wrs n HIS 35 Ca 0.08 0.15 -0.00 0.00 -2.01 0.00 0.00 57.72 55.93 1wrs n HIS 35 Cb 0.35 -0.53 -0.00 0.00 0.12 0.00 0.00 29.99 29.92 1wrs n HIS 35 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1wrs h LEU 36 N 0.00 0.00 -1.86 2.39 3.38 -1.96 -1.91 115.31 115.34 1wrs h LEU 36 Ca 0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.20 1wrs h LEU 36 Cb 0.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1wrs h LEU 36 CO 0.00 0.24 0.70 -0.65 0.09 0.00 0.00 178.44 178.82 1wrs h PRO 37 N -0.44 0.00 0.03 1.13 0.10 -1.80 0.40 132.00 131.42 1wrs h PRO 37 Ca 0.00 0.00 -0.23 0.00 0.10 0.00 0.00 66.00 65.87 1wrs h PRO 37 Cb 0.03 0.00 0.02 0.00 0.10 0.00 0.00 31.00 31.15 1wrs h PRO 37 CO 0.00 0.00 -0.90 -0.07 0.10 0.00 0.00 178.00 177.13 1wrs h LEU 38 N 0.00 0.74 -0.61 2.35 4.07 -1.56 -3.28 115.31 117.02 1wrs h LEU 38 Ca 0.38 -0.77 0.12 0.00 0.08 0.00 0.00 57.88 57.69 1wrs h LEU 38 Cb 1.78 -0.23 -0.10 0.00 1.08 0.00 0.00 40.66 43.19 1wrs h LEU 38 CO -0.00 1.42 0.05 0.25 -1.08 0.00 0.00 178.44 179.08 1wrs h LEU 39 N 0.15 -0.18 0.00 1.67 5.85 0.66 0.60 115.31 124.05 1wrs h LEU 39 Ca -0.12 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1wrs h LEU 39 Cb 1.58 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.85 1wrs h LEU 39 CO 0.18 -0.08 0.00 0.59 -0.34 0.00 0.00 178.44 178.79 1wrs n ASN 40 N -5.23 0.00 -0.01 1.25 4.13 -1.04 -3.30 115.26 111.06 1wrs n ASN 40 Ca 0.09 -0.71 -0.03 0.00 1.68 0.00 0.00 54.58 55.61 1wrs n ASN 40 Cb 0.35 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.58 1wrs n ASN 40 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1wrs n LEU 41 N -0.84 1.19 -1.15 3.41 4.77 0.20 -4.67 117.00 119.90 1wrs n LEU 41 Ca 0.09 0.18 -0.03 0.00 -0.03 0.00 0.00 56.01 56.22 1wrs n LEU 41 Cb 0.04 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1wrs n LEU 41 CO 0.07 -0.53 0.60 1.15 -1.33 0.00 0.00 177.39 177.35 1wrs n MET 42 N -3.64 1.17 0.00 3.23 0.00 -0.67 -4.76 117.12 112.45 1wrs n MET 42 Ca -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 57.70 57.26 1wrs n MET 42 Cb 0.19 -1.16 0.00 0.00 0.00 0.00 0.00 33.22 32.25 1wrs n MET 42 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1wrs n LEU 43 N 0.28 0.00 0.00 3.17 -0.00 -1.21 -4.95 117.00 114.30 1wrs n LEU 43 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1wrs n LEU 43 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1wrs n LEU 43 CO 0.08 0.00 0.00 0.41 -0.00 0.00 0.00 177.39 177.88 1wrs n THR 44 N -0.53 0.00 0.00 1.47 -1.04 -1.26 -4.00 114.28 108.92 1wrs n THR 44 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1wrs n THR 44 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1wrs n THR 44 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1wrs n PRO 45 N -0.83 0.00 0.14 -2.82 -0.04 -1.26 -2.77 135.00 127.42 1wrs n PRO 45 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1wrs n PRO 45 Cb 0.00 0.00 0.42 0.00 -0.04 0.00 0.00 33.50 33.88 1wrs n PRO 45 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wrs n ASP 46 N 0.00 0.40 -0.01 3.54 8.00 -1.26 -1.60 116.55 125.61 1wrs n ASP 46 Ca 0.00 0.63 -0.07 0.00 0.71 0.00 0.00 54.79 56.05 1wrs n ASP 46 Cb 0.00 -0.64 -0.06 0.00 -0.02 0.00 0.00 41.12 40.40 1wrs n ASP 46 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wrs h GLU 47 N 0.00 -0.09 -1.02 -1.24 3.07 -1.95 -2.50 114.58 110.85 1wrs h GLU 47 Ca 0.00 0.01 0.25 0.00 -0.50 0.00 0.00 59.36 59.12 1wrs h GLU 47 Cb 0.28 0.02 -0.10 0.00 -0.84 0.00 0.00 28.75 28.11 1wrs h GLU 47 CO 0.00 0.32 0.64 -0.09 -1.40 0.00 0.00 179.01 178.48 1wrs h ARG 48 N -0.97 0.47 0.17 2.33 2.43 -1.11 0.25 114.38 117.94 1wrs h ARG 48 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1wrs h ARG 48 Cb 0.45 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1wrs h ARG 48 CO 0.02 0.31 -0.08 0.93 -1.51 0.00 0.00 179.97 179.64 1wrs h GLU 49 N 0.49 -0.22 -1.03 0.20 5.08 -1.57 -3.17 114.58 114.36 1wrs h GLU 49 Ca 0.61 0.01 0.27 0.00 -1.00 0.00 0.00 59.36 59.26 1wrs h GLU 49 Cb 1.36 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.59 1wrs h GLU 49 CO -0.36 -0.14 0.70 0.00 -1.00 0.00 0.00 179.01 178.20 1wrs h ALA 50 N -1.83 2.49 -2.30 3.43 0.00 -0.95 -2.70 119.26 117.41 1wrs h ALA 50 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wrs h ALA 50 Cb 0.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wrs h ALA 50 CO 0.04 -0.85 0.00 1.28 0.00 0.00 0.00 179.25 179.72 1wrs n LEU 51 N -4.47 0.00 -0.22 0.00 4.32 0.83 -2.00 117.00 115.45 1wrs n LEU 51 Ca 0.24 0.62 -0.01 0.00 -0.02 0.00 0.00 56.01 56.83 1wrs n LEU 51 Cb 0.94 -0.12 0.05 0.00 -1.62 0.00 0.00 43.42 42.68 1wrs n LEU 51 CO 0.31 -0.12 0.70 1.23 -1.22 0.00 0.00 177.39 178.29 1wrs h GLY 52 N 0.00 0.31 0.00 -0.72 0.00 -1.50 -2.84 103.07 98.32 1wrs h GLY 52 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1wrs h GLY 52 CO 0.00 -0.25 0.00 -1.30 0.00 0.00 0.00 176.54 174.99 1wrs n THR 53 N -5.45 0.00 -0.27 4.70 -2.24 -1.03 -1.10 114.28 108.89 1wrs n THR 53 Ca 0.07 0.94 0.02 0.00 -2.27 0.00 0.00 64.05 62.81 1wrs n THR 53 Cb 0.35 -1.49 0.06 0.00 -2.10 0.00 0.00 70.33 67.16 1wrs n THR 53 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1wrs n ARG 54 N -0.83 -0.12 0.07 -0.78 0.00 -0.85 0.16 116.66 114.32 1wrs n ARG 54 Ca 0.00 1.11 0.05 0.00 -0.00 0.00 0.00 57.85 59.01 1wrs n ARG 54 Cb 0.00 -1.66 0.47 0.00 0.00 0.00 0.00 32.46 31.27 1wrs n ARG 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1wrs h VAL 55 N 0.00 1.09 0.07 5.15 2.07 -1.20 0.25 116.25 123.69 1wrs h VAL 55 Ca 0.30 -0.23 -0.26 0.00 0.82 0.00 0.00 66.70 67.33 1wrs h VAL 55 Cb 0.48 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1wrs h VAL 55 CO -0.73 0.10 -1.24 0.08 0.02 0.00 0.00 177.57 175.81 1wrs h ARG 56 N 0.39 0.16 0.03 1.57 0.11 0.32 -2.78 114.38 114.18 1wrs h ARG 56 Ca 0.10 -0.27 -0.07 0.00 0.10 0.00 0.00 59.98 59.84 1wrs h ARG 56 Cb 0.01 0.10 0.01 0.00 1.11 0.00 0.00 29.97 31.20 1wrs h ARG 56 CO -0.02 1.08 -0.31 0.97 0.10 0.00 0.00 179.97 181.80 1wrs h ILE 57 N 0.04 1.62 0.26 0.08 6.09 -0.84 -2.50 117.51 122.26 1wrs h ILE 57 Ca -0.12 -2.21 -0.00 0.00 -1.37 0.00 0.00 64.86 61.16 1wrs h ILE 57 Cb 1.91 3.06 -0.02 0.00 0.47 0.00 0.00 36.82 42.24 1wrs h ILE 57 CO 0.16 0.60 -0.35 0.58 -3.07 0.00 0.00 178.15 176.07 1wrs h VAL 58 N -0.62 0.00 -0.97 2.19 2.07 -0.63 -1.60 116.25 116.69 1wrs h VAL 58 Ca -0.05 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.65 1wrs h VAL 58 Cb 1.16 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.84 1wrs h VAL 58 CO 0.06 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.18 1wrs h GLU 59 N -0.64 0.67 -0.05 1.57 4.22 -1.63 -0.14 114.58 118.59 1wrs h GLU 59 Ca -0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.33 1wrs h GLU 59 Cb 0.57 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1wrs h GLU 59 CO -0.09 0.44 -0.13 0.93 -2.18 0.00 0.00 179.01 177.98 1wrs h GLU 60 N 0.69 0.07 0.00 1.92 4.39 -0.91 -2.76 114.58 117.98 1wrs h GLU 60 Ca 0.53 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 60.03 1wrs h GLU 60 Cb 0.91 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 1wrs h GLU 60 CO -0.29 0.21 -1.15 1.37 -1.16 0.00 0.00 179.01 177.98 1wrs h LEU 61 N 0.07 0.00 -0.48 1.33 8.10 -0.10 -0.72 115.31 123.51 1wrs h LEU 61 Ca 0.01 0.00 0.09 0.00 0.11 0.00 0.00 57.88 58.09 1wrs h LEU 61 Cb 0.28 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.42 1wrs h LEU 61 CO 0.02 0.75 -0.00 0.25 -4.11 0.00 0.00 178.44 175.35 1wrs h LEU 62 N 0.00 -0.21 -1.75 0.17 7.12 -1.11 -2.37 115.31 117.17 1wrs h LEU 62 Ca -0.11 0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1wrs h LEU 62 Cb 1.67 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 42.01 1wrs h LEU 62 CO 0.08 -0.07 0.00 -2.11 -0.13 0.00 0.00 178.44 176.21 1wrs n ARG 63 N -5.23 1.37 -0.73 1.25 1.85 -1.23 -4.42 116.66 109.52 1wrs n ARG 63 Ca 0.05 -1.53 -0.06 0.00 -1.00 0.00 0.00 57.85 55.31 1wrs n ARG 63 Cb 0.26 -1.31 0.20 0.00 -1.05 0.00 0.00 32.46 30.56 1wrs n ARG 63 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wrs n GLY 64 N 0.89 3.11 0.54 2.89 0.00 -0.28 -4.49 105.19 107.86 1wrs n GLY 64 Ca 0.10 -0.69 0.36 0.00 0.00 0.00 0.00 46.02 45.79 1wrs n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wrs h GLU 65 N 1.74 0.07 -1.84 1.61 5.08 -1.76 0.30 114.58 119.78 1wrs h GLU 65 Ca 0.22 -0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.87 1wrs h GLU 65 Cb 1.90 -0.02 -0.33 0.00 0.50 0.00 0.00 28.75 30.80 1wrs h GLU 65 CO 0.55 0.05 0.34 -1.33 -1.00 0.00 0.00 179.01 177.62 1wrs n MET 66 N -4.27 3.14 0.00 2.33 2.81 -1.26 -4.75 117.12 115.12 1wrs n MET 66 Ca 0.30 -3.98 0.00 0.00 -1.81 0.00 0.00 57.70 52.21 1wrs n MET 66 Cb 1.34 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 1wrs n MET 66 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1wrs n SER 67 N -0.49 0.00 0.00 7.83 2.88 0.11 -5.05 113.62 118.90 1wrs n SER 67 Ca 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1wrs n SER 67 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1wrs n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wrs n GLN 68 N 0.00 2.79 -0.02 -1.46 6.02 -1.26 -4.67 117.38 118.78 1wrs n GLN 68 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1wrs n GLN 68 Cb 0.00 -0.87 0.01 0.00 1.02 0.00 0.00 30.24 30.40 1wrs n GLN 68 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1wrs n ARG 69 N -1.65 1.06 0.00 -1.09 0.00 -1.26 -2.52 116.66 111.20 1wrs n ARG 69 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1wrs n ARG 69 Cb 0.37 -1.26 0.00 0.00 0.00 0.00 0.00 32.46 31.57 1wrs n ARG 69 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1wrs n GLU 70 N 0.25 4.10 0.18 -0.14 0.28 -1.26 -4.68 120.64 119.37 1wrs n GLU 70 Ca 0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.07 1wrs n GLU 70 Cb 0.40 -0.48 0.28 0.00 1.43 0.00 0.00 31.44 33.07 1wrs n GLU 70 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1wrs h LEU 71 N 0.00 0.00 -7.35 -1.84 3.38 -1.78 -3.39 115.31 104.33 1wrs h LEU 71 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 1wrs h LEU 71 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 1wrs h LEU 71 CO 0.00 0.36 1.35 1.17 0.09 0.00 0.00 178.44 181.41 1wrs n LYS 72 N -3.38 1.07 -0.35 1.13 4.81 -1.26 -4.46 118.16 115.72 1wrs n LYS 72 Ca 0.01 -1.91 0.11 0.00 -0.87 0.00 0.00 58.31 55.65 1wrs n LYS 72 Cb 0.55 -3.30 0.30 0.00 0.02 0.00 0.00 35.03 32.61 1wrs n LYS 72 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1wrs n ASN 73 N 12.15 3.70 0.00 3.14 2.85 -1.26 -4.94 115.26 130.90 1wrs n ASN 73 Ca 0.46 -2.01 0.00 0.00 -0.11 0.00 0.00 54.58 52.93 1wrs n ASN 73 Cb 0.44 -0.46 0.00 0.00 1.24 0.00 0.00 39.78 41.00 1wrs n ASN 73 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1wrs n GLU 74 N 1.51 0.00 0.06 1.20 -0.58 -1.26 -2.52 120.64 119.05 1wrs n GLU 74 Ca 0.23 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 57.01 1wrs n GLU 74 Cb 0.58 0.00 0.19 0.00 -0.57 0.00 0.00 31.44 31.64 1wrs n GLU 74 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1wrs n LEU 75 N 0.00 0.18 -0.11 -4.62 7.94 -1.26 -1.42 117.00 117.71 1wrs n LEU 75 Ca 0.00 0.51 -0.14 0.00 -1.11 0.00 0.00 56.01 55.28 1wrs n LEU 75 Cb 0.00 -0.52 -0.12 0.00 0.53 0.00 0.00 43.42 43.31 1wrs n LEU 75 CO 0.00 -0.58 -1.20 0.61 -1.11 0.00 0.00 177.39 175.11 1wrs n GLY 76 N -1.36 -0.49 3.00 -3.96 0.00 -1.05 -4.94 105.19 96.39 1wrs n GLY 76 Ca -0.00 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.85 1wrs n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrs s ALA 77 N -2.45 -3.62 -0.02 4.61 0.00 -0.51 -5.01 121.76 114.75 1wrs s ALA 77 Ca -0.25 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.41 1wrs s ALA 77 Cb 0.07 -2.86 -0.15 0.00 0.00 0.00 0.00 23.12 20.18 1wrs s ALA 77 CO 0.59 -2.28 0.81 0.41 0.00 0.00 0.00 175.76 175.30 1wrs n GLY 78 N 4.34 -0.18 0.55 0.00 0.00 -1.10 -4.31 105.19 104.49 1wrs n GLY 78 Ca 0.08 0.57 0.40 0.00 0.00 0.00 0.00 46.02 47.07 1wrs n GLY 78 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1wrs n ILE 79 N 1.23 0.00 0.00 -0.61 0.13 -1.26 -0.22 119.36 118.63 1wrs n ILE 79 Ca 0.15 1.17 0.00 0.00 -1.10 0.00 0.00 62.75 62.97 1wrs n ILE 79 Cb 0.05 -1.96 0.00 0.00 -0.84 0.00 0.00 39.64 36.89 1wrs n ILE 79 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1wrs n ALA 80 N -2.64 0.92 -0.11 1.51 0.00 -1.26 -1.17 120.51 117.76 1wrs n ALA 80 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.63 1wrs n ALA 80 Cb 1.57 -0.64 -0.13 0.00 0.00 0.00 0.00 19.45 20.25 1wrs n ALA 80 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1wrs n THR 81 N -0.88 1.38 2.00 0.00 5.66 0.69 -4.34 114.28 118.79 1wrs n THR 81 Ca 0.00 -0.63 0.10 0.00 -3.05 0.00 0.00 64.05 60.47 1wrs n THR 81 Cb 0.02 -1.08 0.59 0.00 -1.55 0.00 0.00 70.33 68.32 1wrs n THR 81 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1wrs n ILE 82 N -3.05 0.00 -0.04 1.09 -5.35 -0.31 -3.36 119.36 108.33 1wrs n ILE 82 Ca -0.39 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 61.97 1wrs n ILE 82 Cb 1.02 -0.31 -0.11 0.00 -1.74 0.00 0.00 39.64 38.50 1wrs n ILE 82 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wrs h THR 83 N 0.00 1.44 0.00 7.28 1.03 -1.75 -0.27 112.91 120.63 1wrs h THR 83 Ca 0.00 -1.85 0.00 0.00 -0.01 0.00 0.00 66.41 64.55 1wrs h THR 83 Cb 0.00 2.61 0.00 0.00 -1.07 0.00 0.00 68.15 69.69 1wrs h THR 83 CO 0.00 0.45 -0.08 -2.11 -0.01 0.00 0.00 175.52 173.77 1wrs n ARG 84 N -4.71 0.12 -0.06 0.00 1.85 -1.24 -3.53 116.66 109.09 1wrs n ARG 84 Ca -0.08 0.08 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 1wrs n ARG 84 Cb 0.37 -1.63 -0.13 0.00 -1.05 0.00 0.00 32.46 30.02 1wrs n ARG 84 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wrs n GLY 85 N 1.42 -0.55 0.16 2.89 0.00 -1.21 -2.87 105.19 105.01 1wrs n GLY 85 Ca 0.06 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1wrs n GLY 85 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wrs h SER 86 N -0.23 -0.35 0.00 1.61 0.87 -1.12 -3.38 113.55 110.95 1wrs h SER 86 Ca -0.47 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1wrs h SER 86 Cb 1.84 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 1wrs h SER 86 CO -0.05 -0.14 0.00 -0.46 -0.53 0.00 0.00 176.83 175.65 1wrs n ASN 87 N -5.26 0.00 0.00 6.23 0.23 -1.23 -4.89 115.26 110.34 1wrs n ASN 87 Ca -0.02 0.02 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 1wrs n ASN 87 Cb 0.18 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 1wrs n ASN 87 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1wrs n SER 88 N -1.31 0.00 0.26 0.53 2.88 -1.14 -4.61 113.62 110.24 1wrs n SER 88 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1wrs n SER 88 Cb 0.00 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.07 1wrs n SER 88 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1wrs h LEU 89 N 0.00 0.00 -0.36 2.46 3.38 -1.90 -2.10 115.31 116.79 1wrs h LEU 89 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1wrs h LEU 89 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1wrs h LEU 89 CO 0.00 0.00 -0.42 0.11 0.09 0.00 0.00 178.44 178.22 1wrs h LYS 90 N 0.00 -0.25 0.00 1.13 1.79 -1.96 0.30 116.57 117.58 1wrs h LYS 90 Ca 0.06 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 1wrs h LYS 90 Cb 1.15 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.85 1wrs h LYS 90 CO -0.00 -0.17 -0.29 0.00 -1.08 0.00 0.00 179.45 177.91 1wrs h ALA 91 N -0.30 1.22 -6.75 3.86 0.00 -1.79 -3.47 119.26 112.02 1wrs h ALA 91 Ca 0.06 -0.27 -0.51 0.00 0.00 0.00 0.00 54.91 54.19 1wrs h ALA 91 Cb 0.43 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wrs h ALA 91 CO -0.48 0.37 -1.02 0.00 0.00 0.00 0.00 179.25 178.12 1wrs n ALA 92 N -2.35 -2.71 -2.48 0.00 0.00 0.10 -4.82 120.51 108.25 1wrs n ALA 92 Ca -0.01 -0.39 -0.41 0.00 0.00 0.00 0.00 53.44 52.63 1wrs n ALA 92 Cb 0.39 -1.67 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1wrs n ALA 92 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wrs s PRO 93 N -5.93 3.13 0.00 0.00 0.04 -1.26 -4.84 135.00 126.14 1wrs s PRO 93 Ca 0.22 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1wrs s PRO 93 Cb -0.12 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1wrs s PRO 93 CO 0.92 -2.21 0.35 0.28 0.04 0.00 0.00 177.00 176.38 1wrs n VAL 94 N 6.50 0.00 0.01 -0.36 0.31 -1.26 -2.72 118.33 120.81 1wrs n VAL 94 Ca 0.05 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.20 1wrs n VAL 94 Cb 0.49 -0.31 -0.14 0.00 -0.91 0.00 0.00 33.84 32.97 1wrs n VAL 94 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wrs h GLU 95 N 0.04 0.23 0.40 5.55 5.08 -2.00 -3.36 114.58 120.53 1wrs h GLU 95 Ca 0.00 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1wrs h GLU 95 Cb 0.01 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1wrs h GLU 95 CO 0.00 1.08 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.83 1wrs h LEU 96 N 0.06 -0.46 -1.21 1.33 3.38 -1.93 -2.13 115.31 114.36 1wrs h LEU 96 Ca -0.37 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1wrs h LEU 96 Cb 2.04 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.91 1wrs h LEU 96 CO 0.11 -0.08 0.45 0.03 0.09 0.00 0.00 178.44 179.03 1wrs h ARG 97 N -0.90 0.00 0.00 1.13 -0.00 -1.77 1.05 114.38 113.89 1wrs h ARG 97 Ca -0.06 0.00 -0.21 0.00 -0.50 0.00 0.00 59.98 59.22 1wrs h ARG 97 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.48 1wrs h ARG 97 CO 0.09 0.00 -1.71 1.04 0.00 0.00 0.00 179.97 179.39 1wrs n GLN 98 N -2.48 0.64 -0.01 0.04 6.02 -1.05 -4.33 117.38 116.20 1wrs n GLN 98 Ca -0.01 0.14 -0.03 0.00 -0.01 0.00 0.00 57.00 57.09 1wrs n GLN 98 Cb 0.48 -1.72 -0.01 0.00 1.02 0.00 0.00 30.24 30.01 1wrs n GLN 98 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 1wrs n TRP 99 N -2.82 0.00 -0.61 1.08 -0.00 0.29 -4.64 117.44 110.74 1wrs n TRP 99 Ca -0.15 0.00 0.49 0.00 -0.00 0.00 0.00 57.50 57.84 1wrs n TRP 99 Cb 0.91 -0.18 0.80 0.00 -0.00 0.00 0.00 31.31 32.84 1wrs n TRP 99 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1wrs h LEU 100 N -0.36 0.01 -1.34 5.87 -0.00 0.32 1.15 115.31 120.97 1wrs h LEU 100 Ca 0.00 0.01 0.31 0.00 -0.00 0.00 0.00 57.88 58.20 1wrs h LEU 100 Cb 0.36 0.01 -0.11 0.00 -0.00 0.00 0.00 40.66 40.92 1wrs h LEU 100 CO 0.00 -0.01 0.70 1.05 -0.00 0.00 0.00 178.44 180.18 1wrs h GLU 101 N 0.00 0.31 0.00 1.13 4.11 -1.75 1.44 114.58 119.83 1wrs h GLU 101 Ca 0.85 -0.02 -0.27 0.00 0.07 0.00 0.00 59.36 60.00 1wrs h GLU 101 Cb 3.40 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 32.53 1wrs h GLU 101 CO -0.03 0.21 -1.75 0.39 0.07 0.00 0.00 179.01 177.89 1wrs n GLU 102 N -4.68 0.64 0.00 1.06 1.02 0.39 -2.71 120.64 116.36 1wrs n GLU 102 Ca 0.29 0.22 0.13 0.00 -0.02 0.00 0.00 57.16 57.77 1wrs n GLU 102 Cb 1.01 -1.75 0.34 0.00 -0.02 0.00 0.00 31.44 31.02 1wrs n GLU 102 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wrs n VAL 103 N -2.94 0.00 -0.12 2.62 0.31 0.55 -3.06 118.33 115.69 1wrs n VAL 103 Ca -0.17 -0.07 -0.23 0.00 -0.01 0.00 0.00 64.34 63.86 1wrs n VAL 103 Cb 1.01 0.30 -0.08 0.00 -0.91 0.00 0.00 33.84 34.15 1wrs n VAL 103 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1wrs n LEU 104 N -1.04 1.94 0.08 7.52 7.94 0.46 -3.95 117.00 129.96 1wrs n LEU 104 Ca 0.09 0.35 -0.04 0.00 -1.11 0.00 0.00 56.01 55.31 1wrs n LEU 104 Cb 0.34 -0.81 -0.02 0.00 0.53 0.00 0.00 43.42 43.47 1wrs n LEU 104 CO 0.30 0.29 0.23 -0.07 -1.11 0.00 0.00 177.39 177.02 1wrs h LEU 105 N -1.00 -0.20 -1.54 -1.96 -0.00 -1.62 -3.22 115.31 105.78 1wrs h LEU 105 Ca -0.46 0.01 0.33 0.00 -0.00 0.00 0.00 57.88 57.75 1wrs h LEU 105 Cb 1.39 0.05 -0.09 0.00 -0.00 0.00 0.00 40.66 42.01 1wrs h LEU 105 CO -0.28 -0.03 0.77 0.50 -0.00 0.00 0.00 178.44 179.40 1wrs h LYS 106 N -0.45 0.22 0.00 1.13 3.64 -1.72 -3.51 116.57 115.88 1wrs h LYS 106 Ca -0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1wrs h LYS 106 Cb 0.18 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1wrs h LYS 106 CO 0.04 0.14 0.00 0.43 -2.27 0.00 0.00 179.45 177.79