#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rnc s GLU 2 N 0.00 4.33 0.76 -1.58 2.12 -1.26 -4.98 118.70 118.10 1rnc s GLU 2 Ca 0.00 2.18 -0.11 0.00 0.36 0.00 0.00 54.97 57.40 1rnc s GLU 2 Cb 0.00 -3.04 0.05 0.00 0.26 0.00 0.00 34.13 31.40 1rnc s GLU 2 CO 0.00 -0.19 1.13 0.95 -0.54 0.00 0.00 175.26 176.61 1rnc s THR 3 N -1.16 2.67 0.24 -1.70 -4.23 -1.26 -4.86 115.64 105.34 1rnc s THR 3 Ca 0.49 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1rnc s THR 3 Cb -0.39 -3.21 0.02 0.00 1.34 0.00 0.00 72.50 70.26 1rnc s THR 3 CO 0.52 -0.27 1.64 0.00 -0.54 0.00 0.00 174.62 175.97 1rnc h ALA 4 N -0.85 0.95 -0.78 3.99 0.00 -1.96 -0.86 119.26 119.75 1rnc h ALA 4 Ca -0.45 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.03 1rnc h ALA 4 Cb 1.30 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1rnc h ALA 4 CO 0.65 0.61 0.40 0.00 0.00 0.00 0.00 179.25 180.92 1rnc h ALA 5 N 1.18 1.00 -0.22 0.00 0.00 -1.91 -0.26 119.26 119.06 1rnc h ALA 5 Ca 0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1rnc h ALA 5 Cb 0.81 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1rnc h ALA 5 CO 0.07 0.54 -0.39 0.00 0.00 0.00 0.00 179.25 179.46 1rnc h ALA 6 N 1.21 0.91 -0.42 0.00 0.00 -1.83 -2.39 119.26 116.75 1rnc h ALA 6 Ca 0.27 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1rnc h ALA 6 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1rnc h ALA 6 CO -0.04 0.63 -0.07 -0.22 0.00 0.00 0.00 179.25 179.55 1rnc h LYS 7 N 0.42 0.78 -0.62 0.00 3.64 -0.90 -1.17 116.57 118.72 1rnc h LYS 7 Ca 0.04 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 1rnc h LYS 7 Cb 0.87 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 1rnc h LYS 7 CO 0.07 0.89 0.15 0.35 -2.27 0.00 0.00 179.45 178.64 1rnc h PHE 8 N 0.61 1.05 -0.18 1.91 3.57 -0.67 -0.07 116.94 123.15 1rnc h PHE 8 Ca 0.11 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1rnc h PHE 8 Cb 0.58 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1rnc h PHE 8 CO 0.05 0.88 0.12 0.93 -2.23 0.00 0.00 178.31 178.05 1rnc h GLU 9 N 0.91 0.24 -0.73 1.11 5.08 -1.15 -0.36 114.58 119.68 1rnc h GLU 9 Ca 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1rnc h GLU 9 Cb 0.36 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1rnc h GLU 9 CO 0.00 0.18 0.47 -0.09 -1.00 0.00 0.00 179.01 178.58 1rnc h ARG 10 N 0.23 0.98 0.00 2.33 2.43 -0.90 -1.77 114.38 117.67 1rnc h ARG 10 Ca 0.07 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1rnc h ARG 10 Cb -0.00 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1rnc h ARG 10 CO -0.01 0.66 -0.73 1.96 -1.51 0.00 0.00 179.97 180.34 1rnc h GLN 11 N 1.00 0.00 0.00 0.20 4.20 -0.82 -3.41 115.11 116.28 1rnc h GLN 11 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1rnc h GLN 11 Cb -0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1rnc h GLN 11 CO -0.06 0.62 -0.21 0.72 -0.67 0.00 0.00 178.83 179.24 1rnc n HIS 12 N -3.23 0.00 -3.99 2.96 8.25 -0.16 -4.70 115.22 114.35 1rnc n HIS 12 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1rnc n HIS 12 Cb 0.80 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.82 1rnc n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rnc s MET 13 N -0.75 3.86 -0.44 -0.41 -1.94 -0.67 0.81 119.30 119.76 1rnc s MET 13 Ca 0.00 -0.31 0.06 0.00 -1.71 0.00 0.00 55.69 53.73 1rnc s MET 13 Cb 0.00 -3.20 0.21 0.00 2.01 0.00 0.00 34.83 33.84 1rnc s MET 13 CO 0.00 0.37 0.45 -3.47 -0.01 0.00 0.00 175.02 172.36 1rnc n ASP 14 N 3.23 0.32 -0.20 3.03 2.03 0.14 -4.86 116.55 120.24 1rnc n ASP 14 Ca -0.17 -2.63 0.10 0.00 0.52 0.00 0.00 54.79 52.61 1rnc n ASP 14 Cb 0.53 -0.61 0.52 0.00 -0.72 0.00 0.00 41.12 40.84 1rnc n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1rnc n SER 15 N 2.10 0.60 0.16 1.67 7.64 -1.26 -3.69 113.62 120.83 1rnc n SER 15 Ca 0.26 -1.48 0.13 0.00 1.01 0.00 0.00 58.87 58.78 1rnc n SER 15 Cb 0.48 -0.03 0.35 0.00 -1.01 0.00 0.00 64.21 64.00 1rnc n SER 15 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1rnc h SER 16 N 0.81 0.00 -4.60 6.43 0.02 -1.92 -3.46 113.55 110.84 1rnc h SER 16 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1rnc h SER 16 Cb 0.18 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.51 1rnc h SER 16 CO 0.00 0.00 -0.75 0.42 -1.14 0.00 0.00 176.83 175.36 1rnc s THR 17 N -3.19 0.82 -0.49 -2.27 -4.23 -1.24 -5.06 115.64 99.98 1rnc s THR 17 Ca 0.08 -1.26 0.24 0.00 -1.18 0.00 0.00 61.69 59.57 1rnc s THR 17 Cb 0.09 -0.91 0.30 0.00 1.34 0.00 0.00 72.50 73.32 1rnc s THR 17 CO 0.60 -0.36 1.59 0.28 -0.54 0.00 0.00 174.62 176.19 1rnc h SER 18 N 4.26 0.00 -4.85 3.99 0.02 -1.88 -3.44 113.55 111.65 1rnc h SER 18 Ca -0.38 -0.01 0.26 0.00 -0.84 0.00 0.00 61.79 60.82 1rnc h SER 18 Cb 1.20 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.58 1rnc h SER 18 CO 0.43 0.00 0.77 0.00 -1.14 0.00 0.00 176.83 176.89 1rnc s ALA 19 N -3.20 -2.08 0.23 3.77 0.00 -1.26 -4.85 121.76 114.38 1rnc s ALA 19 Ca 0.07 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1rnc s ALA 19 Cb 0.07 0.14 -0.10 0.00 0.00 0.00 0.00 23.12 23.23 1rnc s ALA 19 CO 0.67 -0.78 1.42 0.00 0.00 0.00 0.00 175.76 177.07 1rnc s ALA 20 N -2.54 3.62 -1.37 0.00 0.00 -1.26 -4.94 121.76 115.27 1rnc s ALA 20 Ca 0.11 1.29 0.12 0.00 0.00 0.00 0.00 51.96 53.48 1rnc s ALA 20 Cb 0.01 -3.55 0.19 0.00 0.00 0.00 0.00 23.12 19.77 1rnc s ALA 20 CO -0.04 -0.71 1.05 -1.13 0.00 0.00 0.00 175.76 174.92 1rnc n SER 21 N 2.49 2.43 -3.84 0.00 3.41 -1.26 -5.01 113.62 111.84 1rnc n SER 21 Ca 0.07 -1.70 -0.08 0.00 -0.26 0.00 0.00 58.87 56.90 1rnc n SER 21 Cb 0.41 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1rnc n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rnc s SER 22 N -1.03 -0.26 0.08 4.04 1.04 -1.26 -5.02 113.70 111.30 1rnc s SER 22 Ca 0.19 -0.60 0.14 0.00 0.48 0.00 0.00 55.95 56.16 1rnc s SER 22 Cb 0.12 0.68 0.61 0.00 0.10 0.00 0.00 66.02 67.53 1rnc s SER 22 CO 0.16 -1.25 1.43 -1.54 0.98 0.00 0.00 173.24 173.03 1rnc n SER 23 N -0.43 0.19 -0.57 7.02 3.41 -1.26 -2.32 113.62 119.66 1rnc n SER 23 Ca -0.05 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 1rnc n SER 23 Cb 0.60 -0.59 0.40 0.00 -0.26 0.00 0.00 64.21 64.35 1rnc n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rnc n ASN 24 N -1.72 1.83 0.01 4.04 3.02 -1.26 -4.44 115.26 116.73 1rnc n ASN 24 Ca 0.02 -1.56 -0.12 0.00 -0.03 0.00 0.00 54.58 52.88 1rnc n ASN 24 Cb 0.13 0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.27 1rnc n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1rnc h TYR 25 N 2.81 -1.18 -0.51 3.10 3.20 -1.87 -1.89 116.97 120.63 1rnc h TYR 25 Ca 0.00 0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 1rnc h TYR 25 Cb 0.63 0.53 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 1rnc h TYR 25 CO 0.00 -0.47 -0.17 0.00 -1.64 0.00 0.00 178.16 175.87 1rnc h ASN 27 N 0.89 0.83 0.25 0.00 2.35 -1.72 0.99 115.58 119.17 1rnc h ASN 27 Ca 0.12 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.55 1rnc h ASN 27 Cb 0.75 -0.18 0.03 0.00 0.05 0.00 0.00 38.32 38.98 1rnc h ASN 27 CO 0.06 0.54 -1.40 1.56 -1.65 0.00 0.00 177.43 176.54 1rnc h GLN 28 N 0.95 0.55 0.09 0.81 4.20 -1.04 -3.02 115.11 117.65 1rnc h GLN 28 Ca 0.35 -0.87 -0.25 0.00 0.06 0.00 0.00 58.65 57.93 1rnc h GLN 28 Cb 0.17 0.32 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1rnc h GLN 28 CO -0.12 1.41 -1.16 0.52 -0.67 0.00 0.00 178.83 178.82 1rnc h MET 29 N 0.18 0.23 -0.53 1.46 2.86 -0.69 -0.56 114.93 117.88 1rnc h MET 29 Ca -0.23 -0.37 -0.10 0.00 -2.06 0.00 0.00 59.70 56.94 1rnc h MET 29 Cb 2.09 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 33.86 1rnc h MET 29 CO 0.26 1.16 -0.06 0.52 1.06 0.00 0.00 176.91 179.86 1rnc h MET 30 N 0.07 0.94 -0.01 1.72 2.86 -0.89 -1.69 114.93 117.94 1rnc h MET 30 Ca -0.10 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.21 1rnc h MET 30 Cb 1.88 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.46 1rnc h MET 30 CO 0.18 0.97 -0.06 0.87 1.06 0.00 0.00 176.91 179.93 1rnc h LYS 31 N 0.86 0.06 0.00 1.72 1.57 -1.42 -1.72 116.57 117.63 1rnc h LYS 31 Ca 0.15 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1rnc h LYS 31 Cb 0.58 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1rnc h LYS 31 CO 0.04 0.73 -0.39 0.77 -0.57 0.00 0.00 179.45 180.02 1rnc h SER 32 N -0.59 0.00 -0.11 0.86 0.02 -1.03 -1.29 113.55 111.41 1rnc h SER 32 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rnc h SER 32 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1rnc h SER 32 CO 0.01 0.39 0.00 0.54 -1.14 0.00 0.00 176.83 176.63 1rnc n ARG 33 N -3.82 1.62 -2.30 3.45 5.12 -0.64 -4.94 116.66 115.14 1rnc n ARG 33 Ca -0.01 -0.92 -0.07 0.00 -1.93 0.00 0.00 57.85 54.92 1rnc n ARG 33 Cb 0.46 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1rnc n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1rnc n ASN 34 N 0.13 -2.75 -1.13 0.55 5.03 -0.48 -4.86 115.26 111.75 1rnc n ASN 34 Ca 0.17 -0.05 0.12 0.00 0.87 0.00 0.00 54.58 55.69 1rnc n ASN 34 Cb 0.30 -1.89 0.20 0.00 -1.02 0.00 0.00 39.78 37.37 1rnc n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1rnc n LEU 35 N -1.18 3.40 -0.16 3.41 4.77 -0.65 -3.57 117.00 123.02 1rnc n LEU 35 Ca -0.06 -1.42 0.09 0.00 -0.03 0.00 0.00 56.01 54.60 1rnc n LEU 35 Cb 0.55 -0.21 0.14 0.00 -2.33 0.00 0.00 43.42 41.57 1rnc n LEU 35 CO 0.12 0.71 0.53 0.35 -1.33 0.00 0.00 177.39 177.77 1rnc n THR 36 N 1.48 1.85 -0.11 -5.08 -2.24 -1.24 -3.26 114.28 105.68 1rnc n THR 36 Ca 0.19 -2.30 -0.10 0.00 -2.27 0.00 0.00 64.05 59.57 1rnc n THR 36 Cb 0.61 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 1rnc n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1rnc h LYS 37 N 0.13 0.53 0.00 -0.78 3.64 -1.91 -3.35 116.57 114.84 1rnc h LYS 37 Ca -0.00 -0.13 -0.26 0.00 -1.27 0.00 0.00 60.65 59.00 1rnc h LYS 37 Cb 1.02 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.72 1rnc h LYS 37 CO 0.00 0.59 -1.96 -0.25 -2.27 0.00 0.00 179.45 175.56 1rnc n ASP 38 N -4.64 1.58 -3.46 4.20 8.00 -1.26 -5.04 116.55 115.93 1rnc n ASP 38 Ca -0.02 -0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.37 1rnc n ASP 38 Cb 0.19 0.81 -0.03 0.00 -0.02 0.00 0.00 41.12 42.08 1rnc n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rnc s ARG 39 N -2.34 1.09 -0.25 -1.24 1.70 -1.26 -5.11 118.95 111.54 1rnc s ARG 39 Ca -0.07 -0.32 -0.29 0.00 -0.47 0.00 0.00 55.73 54.58 1rnc s ARG 39 Cb 0.04 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.90 1rnc s ARG 39 CO 0.57 -0.46 1.58 0.00 -1.08 0.00 0.00 175.30 175.91 1rnc s LYS 41 N 4.71 4.25 0.15 0.00 2.20 -1.20 -4.90 119.74 124.95 1rnc s LYS 41 Ca 0.70 2.32 0.13 0.00 -0.36 0.00 0.00 55.97 58.76 1rnc s LYS 41 Cb -0.23 -3.13 -0.09 0.00 -1.51 0.00 0.00 37.83 32.87 1rnc s LYS 41 CO 0.29 -0.50 1.16 -1.00 -0.36 0.00 0.00 175.35 174.95 1rnc h PRO 42 N 5.80 0.00 -3.73 4.03 0.13 -1.94 -3.44 132.00 132.86 1rnc h PRO 42 Ca -0.44 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 1rnc h PRO 42 Cb 1.21 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.09 1rnc h PRO 42 CO 0.83 0.57 -0.67 0.08 -0.23 0.00 0.00 178.00 178.58 1rnc s VAL 43 N -2.85 0.04 -0.28 1.56 1.01 -1.26 -0.87 120.40 117.75 1rnc s VAL 43 Ca 0.01 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 1rnc s VAL 43 Cb 0.08 -0.14 0.10 0.00 0.00 0.00 0.00 36.38 36.42 1rnc s VAL 43 CO 0.79 -0.17 0.80 0.21 0.00 0.00 0.00 175.10 176.73 1rnc s ASN 44 N -0.50 -0.74 -0.10 3.32 3.84 -0.50 -5.01 114.94 115.26 1rnc s ASN 44 Ca -0.06 1.27 0.02 0.00 0.21 0.00 0.00 52.86 54.30 1rnc s ASN 44 Cb -0.04 1.30 -0.02 0.00 -0.55 0.00 0.00 41.25 41.95 1rnc s ASN 44 CO -0.00 -0.21 -0.16 -0.89 -2.79 0.00 0.00 177.10 173.05 1rnc s THR 45 N 1.04 2.85 -0.02 -5.21 2.01 -1.26 -0.83 115.64 114.22 1rnc s THR 45 Ca -0.05 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 1rnc s THR 45 Cb -0.05 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1rnc s THR 45 CO -0.11 0.55 0.07 -0.36 -0.69 0.00 0.00 174.62 174.07 1rnc s PHE 46 N 0.04 3.27 -0.09 4.92 0.08 0.20 -4.45 117.98 121.95 1rnc s PHE 46 Ca -0.06 0.21 0.04 0.00 0.12 0.00 0.00 56.93 57.24 1rnc s PHE 46 Cb -0.15 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.55 1rnc s PHE 46 CO 0.05 0.54 -0.23 0.08 -0.10 0.00 0.00 175.22 175.56 1rnc s VAL 47 N -1.14 2.20 -0.97 -0.44 1.01 0.24 -0.80 120.40 120.50 1rnc s VAL 47 Ca 0.21 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 1rnc s VAL 47 Cb -0.12 -1.84 0.32 0.00 0.00 0.00 0.00 36.38 34.75 1rnc s VAL 47 CO 0.12 0.56 1.72 1.41 0.00 0.00 0.00 175.10 178.91 1rnc n HIS 48 N 3.32 2.94 -4.39 5.22 8.25 0.14 -0.69 115.22 130.02 1rnc n HIS 48 Ca -0.18 -2.74 -0.21 0.00 -0.26 0.00 0.00 57.72 54.33 1rnc n HIS 48 Cb 0.53 -1.11 -0.09 0.00 1.12 0.00 0.00 29.99 30.44 1rnc n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1rnc s GLU 49 N -4.22 1.72 0.72 -0.41 0.41 -1.26 -4.51 118.70 111.14 1rnc s GLU 49 Ca 0.41 -2.00 -0.12 0.00 -0.41 0.00 0.00 54.97 52.84 1rnc s GLU 49 Cb 0.21 -0.23 0.03 0.00 -1.78 0.00 0.00 34.13 32.35 1rnc s GLU 49 CO -0.14 -0.47 1.09 -1.54 -0.49 0.00 0.00 175.26 173.71 1rnc s SER 50 N -3.45 4.88 0.17 -0.19 1.04 -1.26 -4.27 113.70 110.61 1rnc s SER 50 Ca 0.33 1.84 -0.11 0.00 0.48 0.00 0.00 55.95 58.49 1rnc s SER 50 Cb 0.04 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.68 1rnc s SER 50 CO 0.18 -1.78 1.62 0.25 0.98 0.00 0.00 173.24 174.48 1rnc h LEU 51 N -0.65 0.97 -0.75 2.42 5.85 -1.98 -2.52 115.31 118.65 1rnc h LEU 51 Ca -0.45 -0.31 0.11 0.00 0.84 0.00 0.00 57.88 58.07 1rnc h LEU 51 Cb 1.23 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 1rnc h LEU 51 CO 0.53 1.04 0.36 0.00 -0.34 0.00 0.00 178.44 180.04 1rnc h ALA 52 N 0.96 1.05 -0.37 1.25 0.00 -1.98 0.23 119.26 120.40 1rnc h ALA 52 Ca 0.16 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1rnc h ALA 52 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1rnc h ALA 52 CO 0.03 -0.07 -0.17 -0.44 0.00 0.00 0.00 179.25 178.60 1rnc h ASP 53 N 0.59 0.69 -0.03 0.00 3.32 -1.83 -0.27 116.42 118.88 1rnc h ASP 53 Ca 0.38 -0.22 -0.20 0.00 0.02 0.00 0.00 57.03 57.02 1rnc h ASP 53 Cb 0.46 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.84 1rnc h ASP 53 CO -0.31 0.86 -0.75 0.58 -1.72 0.00 0.00 179.24 177.91 1rnc h VAL 54 N 0.62 1.36 -0.36 -1.35 2.07 -1.07 -3.12 116.25 114.40 1rnc h VAL 54 Ca 0.10 -2.09 0.07 0.00 0.82 0.00 0.00 66.70 65.60 1rnc h VAL 54 Cb 0.63 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 1rnc h VAL 54 CO 0.04 0.63 0.25 1.56 0.02 0.00 0.00 177.57 180.07 1rnc h GLN 55 N 0.14 0.16 0.00 1.57 4.20 -0.50 -2.04 115.11 118.64 1rnc h GLN 55 Ca -0.09 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1rnc h GLN 55 Cb 1.43 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.17 1rnc h GLN 55 CO 0.15 0.11 0.00 0.00 -0.67 0.00 0.00 178.83 178.42 1rnc h ALA 56 N 1.82 1.00 -0.32 3.87 0.00 -0.97 -2.61 119.26 122.04 1rnc h ALA 56 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1rnc h ALA 56 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1rnc h ALA 56 CO -0.02 0.00 0.25 0.28 0.00 0.00 0.00 179.25 179.76 1rnc h VAL 57 N 0.00 0.73 0.00 0.00 2.07 -1.44 -1.07 116.25 116.54 1rnc h VAL 57 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1rnc h VAL 57 Cb 0.13 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1rnc h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1rnc n SER 59 N -1.23 3.41 0.00 0.00 7.64 -0.40 -5.01 113.62 118.02 1rnc n SER 59 Ca 0.10 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.53 1rnc n SER 59 Cb 0.13 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1rnc n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rnc n GLN 60 N 0.11 0.00 -2.77 1.43 6.02 -0.19 -5.01 117.38 116.97 1rnc n GLN 60 Ca 0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.73 1rnc n GLN 60 Cb 0.64 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.87 1rnc n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rnc s LYS 61 N 3.80 4.06 0.20 -1.09 2.20 -1.14 -4.87 119.74 122.90 1rnc s LYS 61 Ca 0.00 0.92 -0.30 0.00 -0.36 0.00 0.00 55.97 56.23 1rnc s LYS 61 Cb 0.00 -3.72 -0.08 0.00 -1.51 0.00 0.00 37.83 32.52 1rnc s LYS 61 CO 0.00 -0.76 1.02 1.21 -0.36 0.00 0.00 175.35 176.46 1rnc s ASN 62 N 1.56 7.44 0.15 1.43 3.04 -1.26 0.01 114.94 127.31 1rnc s ASN 62 Ca 0.40 2.02 -0.05 0.00 0.04 0.00 0.00 52.86 55.26 1rnc s ASN 62 Cb -0.13 -2.61 -0.02 0.00 -1.54 0.00 0.00 41.25 36.95 1rnc s ASN 62 CO 0.13 -0.05 0.18 0.68 -3.04 0.00 0.00 177.10 175.00 1rnc s VAL 63 N -0.66 0.08 0.29 -5.21 -7.23 -0.16 -4.92 120.40 102.59 1rnc s VAL 63 Ca 0.45 -1.65 -0.28 0.00 -1.81 0.00 0.00 61.98 58.70 1rnc s VAL 63 Cb -0.27 -1.97 -0.09 0.00 0.56 0.00 0.00 36.38 34.60 1rnc s VAL 63 CO 0.34 -0.35 0.97 0.00 -0.31 0.00 0.00 175.10 175.76 1rnc s ALA 64 N -4.01 3.28 0.89 1.32 0.00 -1.26 -2.78 121.76 119.20 1rnc s ALA 64 Ca 0.21 0.63 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 1rnc s ALA 64 Cb 0.05 -3.22 0.13 0.00 0.00 0.00 0.00 23.12 20.08 1rnc s ALA 64 CO 0.02 0.11 1.10 0.00 0.00 0.00 0.00 175.76 176.98 1rnc h LYS 66 N -1.49 0.40 -0.46 0.00 1.57 -1.91 -1.35 116.57 113.32 1rnc h LYS 66 Ca -0.50 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1rnc h LYS 66 Cb 1.30 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1rnc h LYS 66 CO 0.58 0.26 0.00 0.27 -0.57 0.00 0.00 179.45 179.99 1rnc n ASN 67 N -4.54 2.57 0.00 0.86 6.94 -1.26 -4.92 115.26 114.91 1rnc n ASN 67 Ca 0.21 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.79 1rnc n ASN 67 Cb 0.76 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 1rnc n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rnc n GLY 68 N 1.27 2.11 3.71 4.83 0.00 -0.51 -5.07 105.19 111.54 1rnc n GLY 68 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1rnc n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rnc s GLN 69 N -0.97 1.47 -0.17 1.61 -0.21 -1.26 -4.59 119.66 115.54 1rnc s GLN 69 Ca 0.00 1.27 0.16 0.00 0.02 0.00 0.00 55.36 56.81 1rnc s GLN 69 Cb 0.00 -1.80 0.39 0.00 1.00 0.00 0.00 33.01 32.60 1rnc s GLN 69 CO 0.00 -2.22 1.26 0.25 -2.12 0.00 0.00 175.29 172.46 1rnc n THR 70 N -3.93 2.11 -1.35 -0.19 -2.24 -1.26 -0.04 114.28 107.38 1rnc n THR 70 Ca 0.10 -2.42 -0.26 0.00 -2.27 0.00 0.00 64.05 59.20 1rnc n THR 70 Cb 0.53 -0.25 0.13 0.00 -2.10 0.00 0.00 70.33 68.64 1rnc n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rnc n ASN 71 N -1.14 5.23 -4.84 3.42 6.94 -1.26 -4.79 115.26 118.81 1rnc n ASN 71 Ca 0.20 -3.71 -0.24 0.00 -0.02 0.00 0.00 54.58 50.81 1rnc n ASN 71 Cb 0.75 -0.84 -0.04 0.00 -2.36 0.00 0.00 39.78 37.29 1rnc n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rnc s TYR 73 N -1.92 0.04 -0.13 0.00 2.02 0.55 -0.99 117.35 116.91 1rnc s TYR 73 Ca 0.32 0.01 -0.04 0.00 -0.37 0.00 0.00 57.07 56.99 1rnc s TYR 73 Cb -0.09 -0.05 -0.03 0.00 -0.40 0.00 0.00 41.96 41.39 1rnc s TYR 73 CO 0.25 -0.01 0.00 -1.14 -1.57 0.00 0.00 175.55 173.08 1rnc s GLN 74 N 0.12 3.48 0.43 -0.62 0.74 0.10 -1.25 119.66 122.66 1rnc s GLN 74 Ca -0.01 -0.43 -0.25 0.00 0.05 0.00 0.00 55.36 54.72 1rnc s GLN 74 Cb -0.02 -2.94 -0.08 0.00 1.10 0.00 0.00 33.01 31.07 1rnc s GLN 74 CO -0.00 0.43 1.37 -1.54 -0.55 0.00 0.00 175.29 175.00 1rnc s SER 75 N -0.13 6.04 0.28 6.67 1.04 -0.12 -2.87 113.70 124.62 1rnc s SER 75 Ca 0.04 2.79 0.10 0.00 0.48 0.00 0.00 55.95 59.36 1rnc s SER 75 Cb -0.13 -2.65 0.37 0.00 0.10 0.00 0.00 66.02 63.72 1rnc s SER 75 CO 0.02 -1.05 1.62 1.88 0.98 0.00 0.00 173.24 176.70 1rnc h TYR 76 N 2.44 0.06 -2.23 5.02 0.05 -1.95 -3.44 116.97 116.91 1rnc h TYR 76 Ca -0.50 -0.02 -0.50 0.00 0.05 0.00 0.00 58.73 57.75 1rnc h TYR 76 Cb 1.26 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.95 1rnc h TYR 76 CO 0.51 0.62 -0.51 -1.12 -1.05 0.00 0.00 178.16 176.62 1rnc s SER 77 N -6.86 5.67 0.62 3.88 0.01 -1.26 -5.07 113.70 110.69 1rnc s SER 77 Ca -0.02 -0.18 -0.13 0.00 1.31 0.00 0.00 55.95 56.93 1rnc s SER 77 Cb 0.13 -1.49 -0.03 0.00 0.21 0.00 0.00 66.02 64.83 1rnc s SER 77 CO 0.77 -0.03 1.04 0.42 0.41 0.00 0.00 173.24 175.84 1rnc s THR 78 N -2.08 4.33 0.12 1.44 -4.23 -1.26 -4.51 115.64 109.45 1rnc s THR 78 Ca 0.33 0.87 0.06 0.00 -1.18 0.00 0.00 61.69 61.76 1rnc s THR 78 Cb -0.08 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 1rnc s THR 78 CO 0.26 -0.88 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.28 1rnc s MET 79 N -4.78 1.00 -0.23 3.99 -1.94 0.53 -4.87 119.30 112.99 1rnc s MET 79 Ca 0.58 -1.23 -0.28 0.00 -1.71 0.00 0.00 55.69 53.05 1rnc s MET 79 Cb -0.12 -0.84 0.01 0.00 2.01 0.00 0.00 34.83 35.88 1rnc s MET 79 CO 0.48 0.16 1.00 0.45 -0.01 0.00 0.00 175.02 177.10 1rnc s SER 80 N -2.46 7.05 0.15 3.03 0.15 -1.26 -1.49 113.70 118.86 1rnc s SER 80 Ca 0.08 1.32 0.05 0.00 0.70 0.00 0.00 55.95 58.10 1rnc s SER 80 Cb -0.04 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1rnc s SER 80 CO 0.03 -0.64 -0.10 0.27 1.20 0.00 0.00 173.24 173.99 1rnc s ILE 81 N 3.14 1.18 -0.12 6.45 -4.36 -0.34 -0.69 121.20 126.46 1rnc s ILE 81 Ca 0.42 -2.04 0.02 0.00 -0.26 0.00 0.00 60.65 58.80 1rnc s ILE 81 Cb -0.15 -1.82 0.01 0.00 1.25 0.00 0.00 42.46 41.75 1rnc s ILE 81 CO 0.06 -0.72 -0.18 -0.89 0.24 0.00 0.00 174.94 173.45 1rnc s THR 82 N -3.23 1.76 -0.14 8.37 2.01 0.02 -1.17 115.64 123.25 1rnc s THR 82 Ca 0.16 -0.80 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 1rnc s THR 82 Cb 0.02 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1rnc s THR 82 CO 0.01 0.49 0.42 -0.62 -0.69 0.00 0.00 174.62 174.23 1rnc s ASP 83 N 0.92 6.58 -0.15 3.53 -1.08 0.70 -0.63 116.67 126.55 1rnc s ASP 83 Ca -0.06 0.69 0.00 0.00 -0.52 0.00 0.00 52.55 52.66 1rnc s ASP 83 Cb -0.15 -2.25 -0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1rnc s ASP 83 CO -0.02 0.02 -0.15 0.00 0.52 0.00 0.00 175.17 175.54 1rnc s ARG 85 N 0.79 0.31 0.51 0.00 1.70 -0.92 -1.41 118.95 119.93 1rnc s ARG 85 Ca -0.06 -0.43 -0.23 0.00 -0.47 0.00 0.00 55.73 54.54 1rnc s ARG 85 Cb -0.15 0.12 -0.06 0.00 -0.57 0.00 0.00 34.95 34.28 1rnc s ARG 85 CO 0.00 -0.06 1.40 -2.00 -1.08 0.00 0.00 175.30 173.56 1rnc s GLU 86 N -1.16 3.35 0.46 3.89 2.12 -0.05 -0.62 118.70 126.68 1rnc s GLU 86 Ca -0.13 2.33 0.08 0.00 0.36 0.00 0.00 54.97 57.62 1rnc s GLU 86 Cb -0.08 -2.42 0.03 0.00 0.26 0.00 0.00 34.13 31.92 1rnc s GLU 86 CO -0.00 -1.06 0.62 0.95 -0.54 0.00 0.00 175.26 175.23 1rnc s THR 87 N -1.25 2.78 0.46 -1.70 -4.23 -0.37 -4.77 115.64 106.56 1rnc s THR 87 Ca 0.67 -1.01 0.30 0.00 -1.18 0.00 0.00 61.69 60.48 1rnc s THR 87 Cb -0.42 -2.79 0.33 0.00 1.34 0.00 0.00 72.50 70.95 1rnc s THR 87 CO 0.52 0.00 2.14 1.23 -0.54 0.00 0.00 174.62 177.97 1rnc h GLY 88 N 0.54 0.00 1.96 3.99 0.00 -1.95 -2.23 103.07 105.37 1rnc h GLY 88 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1rnc h GLY 88 CO 0.44 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.42 1rnc n SER 89 N -3.59 0.00 -4.70 0.19 7.64 -1.26 -4.92 113.62 106.98 1rnc n SER 89 Ca -0.02 0.44 -0.42 0.00 1.01 0.00 0.00 58.87 59.88 1rnc n SER 89 Cb 0.19 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.88 1rnc n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1rnc s SER 90 N -2.96 6.58 -0.24 6.43 0.15 -0.84 -4.84 113.70 117.98 1rnc s SER 90 Ca 0.15 2.57 -0.03 0.00 0.70 0.00 0.00 55.95 59.34 1rnc s SER 90 Cb 0.19 -2.58 0.13 0.00 -1.71 0.00 0.00 66.02 62.05 1rnc s SER 90 CO 0.51 -0.87 0.38 -0.75 1.20 0.00 0.00 173.24 173.71 1rnc s LYS 91 N 1.93 0.34 -0.05 5.44 2.20 -0.92 -4.88 119.74 123.80 1rnc s LYS 91 Ca 0.73 0.59 -0.40 0.00 -0.36 0.00 0.00 55.97 56.53 1rnc s LYS 91 Cb -0.42 -0.40 -0.19 0.00 -1.51 0.00 0.00 37.83 35.32 1rnc s LYS 91 CO 0.32 -0.60 1.27 0.98 -0.36 0.00 0.00 175.35 176.96 1rnc n TYR 92 N 5.37 1.16 0.96 4.03 4.19 -1.26 -0.34 117.16 131.27 1rnc n TYR 92 Ca -0.04 0.89 0.11 0.00 3.31 0.00 0.00 57.90 62.17 1rnc n TYR 92 Cb 0.50 -2.21 0.32 0.00 0.49 0.00 0.00 39.34 38.43 1rnc n TYR 92 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1rnc n PRO 93 N 2.42 1.95 -2.81 2.98 -0.04 -1.26 -4.96 135.00 133.29 1rnc n PRO 93 Ca 0.21 -1.44 -0.43 0.00 -0.04 0.00 0.00 63.50 61.80 1rnc n PRO 93 Cb 0.10 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1rnc n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rnc n ASN 94 N 0.67 5.60 -4.77 3.54 3.02 0.53 -4.98 115.26 118.88 1rnc n ASN 94 Ca 0.17 -3.17 -0.40 0.00 -0.03 0.00 0.00 54.58 51.15 1rnc n ASN 94 Cb 0.41 -1.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.14 1rnc n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rnc s ALA 96 N -1.23 1.09 0.01 0.00 0.00 -1.26 -4.90 121.76 115.47 1rnc s ALA 96 Ca 0.50 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.06 1rnc s ALA 96 Cb -0.35 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1rnc s ALA 96 CO 0.45 0.18 -0.11 0.71 0.00 0.00 0.00 175.76 176.99 1rnc s TYR 97 N 0.20 0.98 -0.05 0.00 1.51 -1.26 -1.24 117.35 117.50 1rnc s TYR 97 Ca -0.04 -0.23 -0.16 0.00 -1.01 0.00 0.00 57.07 55.62 1rnc s TYR 97 Cb -0.10 -0.62 -0.05 0.00 -0.11 0.00 0.00 41.96 41.08 1rnc s TYR 97 CO 0.01 -0.01 0.42 0.21 -1.11 0.00 0.00 175.55 175.08 1rnc s LYS 98 N -0.52 4.09 -0.18 -0.62 2.20 0.20 -4.63 119.74 120.29 1rnc s LYS 98 Ca 0.03 0.41 -0.13 0.00 -0.36 0.00 0.00 55.97 55.91 1rnc s LYS 98 Cb -0.05 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 1rnc s LYS 98 CO 0.00 0.48 0.28 0.99 -0.36 0.00 0.00 175.35 176.74 1rnc s THR 99 N -0.41 5.31 -0.10 3.43 2.01 -1.26 -2.16 115.64 122.46 1rnc s THR 99 Ca 0.24 0.49 -0.01 0.00 0.31 0.00 0.00 61.69 62.72 1rnc s THR 99 Cb -0.16 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.76 1rnc s THR 99 CO 0.12 0.37 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.47 1rnc s THR 100 N 0.66 0.82 -0.12 -0.82 2.01 -0.68 -4.99 115.64 112.53 1rnc s THR 100 Ca 0.15 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 1rnc s THR 100 Cb -0.13 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1rnc s THR 100 CO 0.04 0.33 0.11 -1.58 -0.69 0.00 0.00 174.62 172.84 1rnc s GLN 101 N 1.75 3.45 0.19 4.92 2.00 -1.26 -0.22 119.66 130.49 1rnc s GLN 101 Ca 0.04 -0.19 -0.23 0.00 -2.00 0.00 0.00 55.36 52.98 1rnc s GLN 101 Cb -0.13 -3.14 0.05 0.00 0.80 0.00 0.00 33.01 30.59 1rnc s GLN 101 CO -0.07 0.71 0.72 0.00 -0.50 0.00 0.00 175.29 176.16 1rnc s ALA 102 N -0.85 -1.47 -0.19 1.58 0.00 -0.32 -5.00 121.76 115.52 1rnc s ALA 102 Ca 0.14 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1rnc s ALA 102 Cb -0.12 0.79 0.04 0.00 0.00 0.00 0.00 23.12 23.84 1rnc s ALA 102 CO 0.03 -0.91 -0.08 -0.80 0.00 0.00 0.00 175.76 174.00 1rnc s ASN 103 N -2.82 3.23 0.07 0.00 -0.87 -1.26 -1.20 114.94 112.09 1rnc s ASN 103 Ca 0.07 -0.82 0.00 0.00 -1.57 0.00 0.00 52.86 50.54 1rnc s ASN 103 Cb -0.03 -1.13 -0.04 0.00 -0.02 0.00 0.00 41.25 40.03 1rnc s ASN 103 CO -0.02 -0.16 -0.04 -0.54 -2.57 0.00 0.00 177.10 173.76 1rnc s LYS 104 N 1.47 0.70 0.45 -0.60 -0.14 -0.56 -4.81 119.74 116.26 1rnc s LYS 104 Ca -0.01 -1.27 -0.21 0.00 -1.36 0.00 0.00 55.97 53.12 1rnc s LYS 104 Cb -0.16 0.05 -0.09 0.00 -1.68 0.00 0.00 37.83 35.95 1rnc s LYS 104 CO -0.08 -0.08 1.01 -1.01 -0.76 0.00 0.00 175.35 174.43 1rnc s HIS 105 N -3.81 3.16 0.03 3.18 3.76 0.76 -0.34 115.29 122.03 1rnc s HIS 105 Ca 0.09 1.61 0.01 0.00 -0.15 0.00 0.00 55.06 56.62 1rnc s HIS 105 Cb 0.07 -3.00 -0.04 0.00 1.11 0.00 0.00 32.58 30.72 1rnc s HIS 105 CO -0.08 -0.53 0.09 0.96 -0.85 0.00 0.00 174.74 174.33 1rnc s ILE 106 N -1.99 4.68 -0.11 0.60 -4.36 -1.26 -0.79 121.20 117.97 1rnc s ILE 106 Ca 0.64 -0.55 0.03 0.00 -0.26 0.00 0.00 60.65 60.50 1rnc s ILE 106 Cb -0.15 -3.19 0.01 0.00 1.25 0.00 0.00 42.46 40.38 1rnc s ILE 106 CO 0.19 0.25 -0.19 -0.63 0.24 0.00 0.00 174.94 174.80 1rnc s ILE 107 N -1.28 1.73 0.20 8.37 1.01 0.41 -0.94 121.20 130.70 1rnc s ILE 107 Ca 0.26 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 60.17 1rnc s ILE 107 Cb -0.12 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 1rnc s ILE 107 CO 0.18 0.49 -0.11 0.68 0.00 0.00 0.00 174.94 176.17 1rnc s VAL 108 N 0.73 1.53 -0.01 2.92 -7.23 -0.38 -0.68 120.40 117.28 1rnc s VAL 108 Ca -0.11 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 57.91 1rnc s VAL 108 Cb -0.16 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1rnc s VAL 108 CO 0.02 -0.57 0.04 0.00 -0.31 0.00 0.00 175.10 174.27 1rnc s ALA 109 N -3.10 3.43 0.12 1.32 0.00 -0.36 -0.33 121.76 122.83 1rnc s ALA 109 Ca 0.22 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.39 1rnc s ALA 109 Cb 0.01 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1rnc s ALA 109 CO 0.06 0.66 -0.22 0.00 0.00 0.00 0.00 175.76 176.26 1rnc s GLU 111 N -2.08 0.74 0.00 0.00 2.02 -0.66 -4.91 118.70 113.82 1rnc s GLU 111 Ca 0.16 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.73 1rnc s GLU 111 Cb -0.10 0.32 0.00 0.00 0.10 0.00 0.00 34.13 34.45 1rnc s GLU 111 CO 0.08 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.55 1rnc n GLY 112 N 0.83 -1.18 2.86 -1.39 0.00 -1.26 -1.61 105.19 103.43 1rnc n GLY 112 Ca -0.20 -2.12 -0.15 0.00 0.00 0.00 0.00 46.02 43.55 1rnc n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rnc s ASN 113 N -4.00 0.83 0.68 1.61 3.84 -1.26 -2.89 114.94 113.76 1rnc s ASN 113 Ca 0.00 0.11 -0.11 0.00 0.21 0.00 0.00 52.86 53.06 1rnc s ASN 113 Cb 0.00 0.64 0.00 0.00 -0.55 0.00 0.00 41.25 41.34 1rnc s ASN 113 CO 0.00 -0.30 1.06 -2.84 -2.79 0.00 0.00 177.10 172.23 1rnc s PRO 114 N 2.40 2.96 -0.35 0.43 0.01 -1.26 -5.08 135.00 134.11 1rnc s PRO 114 Ca 0.07 1.00 -0.16 0.00 0.01 0.00 0.00 61.00 61.92 1rnc s PRO 114 Cb -0.15 -1.99 -0.01 0.00 0.01 0.00 0.00 34.50 32.36 1rnc s PRO 114 CO -0.12 -1.09 0.38 -0.47 0.01 0.00 0.00 177.00 175.71 1rnc s TYR 115 N -2.95 3.21 0.20 6.54 5.04 -1.14 -4.94 117.35 123.31 1rnc s TYR 115 Ca 0.59 -0.03 -0.00 0.00 -2.44 0.00 0.00 57.07 55.19 1rnc s TYR 115 Cb -0.14 -2.70 -0.04 0.00 0.35 0.00 0.00 41.96 39.42 1rnc s TYR 115 CO 0.52 -0.46 0.10 0.14 -1.34 0.00 0.00 175.55 174.52 1rnc s VAL 116 N 2.05 0.22 0.22 3.14 -7.23 -0.63 -4.87 120.40 113.30 1rnc s VAL 116 Ca 0.12 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 1rnc s VAL 116 Cb -0.16 -2.44 -0.08 0.00 0.56 0.00 0.00 36.38 34.25 1rnc s VAL 116 CO 0.12 -0.10 1.08 -2.84 -0.31 0.00 0.00 175.10 173.05 1rnc s PRO 117 N -4.09 4.64 0.00 4.82 0.02 -1.26 -1.65 135.00 137.48 1rnc s PRO 117 Ca 0.35 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1rnc s PRO 117 Cb 0.07 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1rnc s PRO 117 CO 0.10 0.17 0.43 1.33 -0.33 0.00 0.00 177.00 178.70 1rnc n VAL 118 N 1.87 0.18 -3.64 3.83 0.24 0.31 -4.53 118.33 116.59 1rnc n VAL 118 Ca 0.01 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.34 61.86 1rnc n VAL 118 Cb 0.46 1.22 -0.07 0.00 -1.47 0.00 0.00 33.84 33.98 1rnc n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1rnc s HIS 119 N -0.18 -0.88 -0.38 6.34 5.65 -1.21 -4.74 115.29 119.88 1rnc s HIS 119 Ca 0.00 1.94 -0.22 0.00 0.25 0.00 0.00 55.06 57.03 1rnc s HIS 119 Cb 0.00 0.43 0.01 0.00 -1.18 0.00 0.00 32.58 31.84 1rnc s HIS 119 CO 0.00 -0.43 0.72 0.12 -0.65 0.00 0.00 174.74 174.50 1rnc s PHE 120 N 0.94 3.10 -0.19 3.88 2.19 -1.26 -1.23 117.98 125.41 1rnc s PHE 120 Ca -0.04 0.37 -0.23 0.00 0.33 0.00 0.00 56.93 57.35 1rnc s PHE 120 Cb -0.05 -3.36 -0.21 0.00 -1.31 0.00 0.00 43.02 38.09 1rnc s PHE 120 CO -0.09 -0.76 0.37 0.22 1.83 0.00 0.00 175.22 176.80 1rnc h ASP 121 N 8.60 0.00 -4.81 6.13 3.58 -1.25 -3.49 116.42 125.18 1rnc h ASP 121 Ca -0.25 -0.64 0.24 0.00 0.42 0.00 0.00 57.03 56.80 1rnc h ASP 121 Cb 1.10 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 41.99 1rnc h ASP 121 CO 0.89 1.32 0.74 0.00 -2.88 0.00 0.00 179.24 179.31 1rnc s ALA 122 N -2.33 -2.04 -0.02 -0.78 0.00 -1.12 -4.92 121.76 110.54 1rnc s ALA 122 Ca -0.25 1.13 0.07 0.00 0.00 0.00 0.00 51.96 52.91 1rnc s ALA 122 Cb 0.03 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1rnc s ALA 122 CO 0.61 -0.77 -0.23 -1.54 0.00 0.00 0.00 175.76 173.83 1rnc s SER 123 N -2.51 2.68 0.00 0.00 1.04 -1.26 -0.44 113.70 113.20 1rnc s SER 123 Ca 0.10 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1rnc s SER 123 Cb 0.01 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1rnc s SER 123 CO -0.04 0.28 0.05 1.33 0.98 0.00 0.00 173.24 175.84