#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rcn s GLU 2 N 0.00 4.38 0.34 -1.58 2.12 -1.26 -5.04 118.70 117.66 1rcn s GLU 2 Ca 0.00 0.82 -0.26 0.00 0.36 0.00 0.00 54.97 55.88 1rcn s GLU 2 Cb 0.00 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.82 1rcn s GLU 2 CO 0.00 -0.01 1.03 0.95 -0.54 0.00 0.00 175.26 176.69 1rcn s THR 3 N 1.08 3.78 0.33 -1.70 -4.23 -1.26 -4.90 115.64 108.73 1rcn s THR 3 Ca 0.35 1.53 0.11 0.00 -1.18 0.00 0.00 61.69 62.50 1rcn s THR 3 Cb -0.17 -3.88 0.32 0.00 1.34 0.00 0.00 72.50 70.11 1rcn s THR 3 CO 0.16 0.17 1.67 0.00 -0.54 0.00 0.00 174.62 176.09 1rcn h ALA 4 N 3.14 1.79 -0.59 3.99 0.00 -1.96 -0.12 119.26 125.51 1rcn h ALA 4 Ca -0.47 0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.70 1rcn h ALA 4 Cb 1.21 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1rcn h ALA 4 CO 0.65 -0.49 0.25 0.00 0.00 0.00 0.00 179.25 179.66 1rcn h ALA 5 N 1.81 0.76 0.02 0.00 0.00 -1.89 0.21 119.26 120.18 1rcn h ALA 5 Ca 0.68 0.06 -0.23 0.00 0.00 0.00 0.00 54.91 55.42 1rcn h ALA 5 Cb 1.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1rcn h ALA 5 CO -0.59 -0.14 -0.99 0.00 0.00 0.00 0.00 179.25 177.54 1rcn h ALA 6 N 1.37 0.33 -0.54 0.00 0.00 -1.54 -1.91 119.26 116.97 1rcn h ALA 6 Ca 0.28 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1rcn h ALA 6 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1rcn h ALA 6 CO -0.25 0.84 0.24 -0.22 0.00 0.00 0.00 179.25 179.86 1rcn h LYS 7 N 0.20 0.76 -0.14 0.00 3.64 -0.89 0.07 116.57 120.22 1rcn h LYS 7 Ca -0.09 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1rcn h LYS 7 Cb 1.63 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1rcn h LYS 7 CO 0.17 0.60 -0.06 0.35 -2.27 0.00 0.00 179.45 178.24 1rcn h PHE 8 N 0.76 0.32 -0.49 1.91 3.04 -0.53 -2.30 116.94 119.64 1rcn h PHE 8 Ca 0.19 -0.08 0.05 0.00 3.98 0.00 0.00 57.97 62.11 1rcn h PHE 8 Cb 0.11 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.50 1rcn h PHE 8 CO 0.01 0.60 0.23 0.93 -2.02 0.00 0.00 178.31 178.06 1rcn h GLU 9 N -0.05 0.44 -0.50 1.11 5.08 -0.96 0.16 114.58 119.87 1rcn h GLU 9 Ca 0.03 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1rcn h GLU 9 Cb 0.51 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1rcn h GLU 9 CO 0.02 0.29 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.20 1rcn h ARG 10 N 0.46 0.85 0.00 2.33 2.43 -0.97 -2.15 114.38 117.33 1rcn h ARG 10 Ca 0.22 -0.26 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 1rcn h ARG 10 Cb 0.15 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1rcn h ARG 10 CO -0.17 0.88 -1.52 1.04 -1.51 0.00 0.00 179.97 178.69 1rcn n GLN 11 N -4.19 0.63 0.00 0.20 6.02 -0.87 -4.62 117.38 114.55 1rcn n GLN 11 Ca 0.02 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1rcn n GLN 11 Cb 0.33 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.83 1rcn n GLN 11 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1rcn n HIS 12 N -2.83 0.00 -4.63 1.08 8.25 0.56 -4.63 115.22 113.03 1rcn n HIS 12 Ca -0.11 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.01 1rcn n HIS 12 Cb 0.84 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.83 1rcn n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rcn s MET 13 N -0.31 2.77 -0.42 -0.41 -1.94 -0.81 0.01 119.30 118.18 1rcn s MET 13 Ca 0.00 -0.55 0.05 0.00 -1.71 0.00 0.00 55.69 53.48 1rcn s MET 13 Cb 0.00 -2.59 0.17 0.00 2.01 0.00 0.00 34.83 34.42 1rcn s MET 13 CO 0.00 0.65 0.52 0.34 -0.01 0.00 0.00 175.02 176.52 1rcn s ASP 14 N -0.77 -0.08 0.20 3.03 2.15 -0.02 -4.82 116.67 116.35 1rcn s ASP 14 Ca 0.12 -1.67 0.03 0.00 0.43 0.00 0.00 52.55 51.45 1rcn s ASP 14 Cb -0.11 1.07 0.12 0.00 -0.30 0.00 0.00 42.92 43.70 1rcn s ASP 14 CO 0.01 -0.17 1.47 0.28 -0.17 0.00 0.00 175.17 176.59 1rcn h SER 15 N 6.30 0.29 -0.86 -0.34 0.02 -1.73 -3.32 113.55 113.92 1rcn h SER 15 Ca 0.09 -0.20 0.20 0.00 -0.84 0.00 0.00 61.79 61.03 1rcn h SER 15 Cb 1.08 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.47 1rcn h SER 15 CO 0.15 0.93 0.58 0.77 -1.14 0.00 0.00 176.83 178.12 1rcn h SER 16 N 0.16 0.36 -3.03 3.07 4.64 -1.94 -3.42 113.55 113.40 1rcn h SER 16 Ca -0.03 0.03 -0.64 0.00 -0.47 0.00 0.00 61.79 60.69 1rcn h SER 16 Cb 1.30 -0.03 -0.18 0.00 -0.31 0.00 0.00 62.40 63.18 1rcn h SER 16 CO 0.11 0.15 -0.81 0.42 -0.87 0.00 0.00 176.83 175.83 1rcn s THR 17 N -5.37 2.36 -2.13 2.95 -4.23 -1.26 -5.00 115.64 102.95 1rcn s THR 17 Ca -0.08 -2.10 0.24 0.00 -1.18 0.00 0.00 61.69 58.57 1rcn s THR 17 Cb 0.22 -2.15 0.10 0.00 1.34 0.00 0.00 72.50 72.01 1rcn s THR 17 CO 0.78 -0.17 1.24 -1.54 -0.54 0.00 0.00 174.62 174.38 1rcn n SER 18 N 0.11 1.94 -3.58 3.99 3.41 -1.26 -4.64 113.62 113.59 1rcn n SER 18 Ca -0.11 -1.46 -0.05 0.00 -0.26 0.00 0.00 58.87 56.99 1rcn n SER 18 Cb 0.57 0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.82 1rcn n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rcn s ALA 19 N -2.40 -2.04 -0.10 7.33 0.00 -1.26 -4.86 121.76 118.43 1rcn s ALA 19 Ca 0.22 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.33 1rcn s ALA 19 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 1rcn s ALA 19 CO 0.52 -0.64 1.19 0.00 0.00 0.00 0.00 175.76 176.82 1rcn s ALA 20 N -2.54 3.54 0.04 0.00 0.00 -1.26 -4.97 121.76 116.57 1rcn s ALA 20 Ca 0.09 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 1rcn s ALA 20 Cb -0.01 -3.54 -0.18 0.00 0.00 0.00 0.00 23.12 19.40 1rcn s ALA 20 CO -0.05 -0.86 1.41 0.66 0.00 0.00 0.00 175.76 176.91 1rcn h SER 21 N 7.60 -0.71 -3.62 0.00 4.64 -2.00 -3.48 113.55 115.99 1rcn h SER 21 Ca -0.31 -0.02 -0.42 0.00 -0.47 0.00 0.00 61.79 60.57 1rcn h SER 21 Cb 1.14 0.18 -0.14 0.00 -0.31 0.00 0.00 62.40 63.27 1rcn h SER 21 CO 0.91 -0.41 -0.63 -0.94 -0.87 0.00 0.00 176.83 174.88 1rcn s SER 22 N -4.54 2.04 0.38 4.97 1.04 -1.26 -5.00 113.70 111.33 1rcn s SER 22 Ca -0.16 -1.31 0.27 0.00 0.48 0.00 0.00 55.95 55.23 1rcn s SER 22 Cb 0.03 -0.02 1.29 0.00 0.10 0.00 0.00 66.02 67.42 1rcn s SER 22 CO 0.55 -0.57 1.83 0.77 0.98 0.00 0.00 173.24 176.80 1rcn h SER 23 N 2.29 0.00 0.01 7.02 4.64 -1.93 -1.87 113.55 123.71 1rcn h SER 23 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1rcn h SER 23 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1rcn h SER 23 CO 0.66 0.00 -0.06 -3.20 -0.87 0.00 0.00 176.83 173.36 1rcn n ASN 24 N -2.49 2.00 -0.16 4.97 5.15 -1.26 -4.34 115.26 119.13 1rcn n ASN 24 Ca 0.00 -1.61 -0.04 0.00 -0.60 0.00 0.00 54.58 52.33 1rcn n ASN 24 Cb 0.16 0.05 0.02 0.00 -0.53 0.00 0.00 39.78 39.48 1rcn n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1rcn h TYR 25 N 3.04 -0.58 0.00 1.20 3.20 -1.73 -0.60 116.97 121.52 1rcn h TYR 25 Ca 0.00 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 1rcn h TYR 25 Cb 0.69 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1rcn h TYR 25 CO 0.00 -0.31 -0.25 0.00 -1.64 0.00 0.00 178.16 175.96 1rcn h ASN 27 N 0.00 0.75 0.12 0.00 2.35 -1.40 -1.73 115.58 115.67 1rcn h ASN 27 Ca -0.00 -0.55 -0.01 0.00 -0.55 0.00 0.00 56.30 55.19 1rcn h ASN 27 Cb 0.55 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1rcn h ASN 27 CO 0.03 1.34 -0.06 0.06 -1.65 0.00 0.00 177.43 177.15 1rcn h GLN 28 N 0.38 -0.16 -0.55 0.81 3.07 -1.42 -3.26 115.11 113.97 1rcn h GLN 28 Ca -0.08 0.01 0.09 0.00 0.09 0.00 0.00 58.65 58.76 1rcn h GLN 28 Cb 1.51 0.04 -0.07 0.00 0.08 0.00 0.00 27.48 29.04 1rcn h GLN 28 CO 0.17 0.22 0.16 1.98 0.09 0.00 0.00 178.83 181.45 1rcn h MET 29 N -0.96 0.31 0.00 0.06 4.05 -1.27 0.11 114.93 117.23 1rcn h MET 29 Ca -0.02 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1rcn h MET 29 Cb 0.46 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1rcn h MET 29 CO 0.03 0.20 -0.06 1.98 0.23 0.00 0.00 176.91 179.29 1rcn h MET 30 N 0.32 0.00 0.10 0.39 4.05 -1.48 0.25 114.93 118.56 1rcn h MET 30 Ca 0.28 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.40 1rcn h MET 30 Cb 0.36 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1rcn h MET 30 CO -0.32 0.06 -1.60 -0.22 0.23 0.00 0.00 176.91 175.06 1rcn h LYS 31 N 0.00 0.22 0.00 0.39 3.11 -1.05 -1.42 116.57 117.82 1rcn h LYS 31 Ca -0.00 -0.37 -0.03 0.00 -2.81 0.00 0.00 60.65 57.44 1rcn h LYS 31 Cb 0.18 0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1rcn h LYS 31 CO 0.01 1.18 -0.12 0.66 -2.81 0.00 0.00 179.45 178.36 1rcn h SER 32 N -0.28 0.00 0.18 4.20 4.64 -0.52 -1.73 113.55 120.04 1rcn h SER 32 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1rcn h SER 32 Cb 1.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 1rcn h SER 32 CO 0.03 0.12 -0.23 0.54 -0.87 0.00 0.00 176.83 176.42 1rcn n ARG 33 N -3.33 1.02 -2.58 4.77 5.12 0.05 -4.97 116.66 116.73 1rcn n ARG 33 Ca -0.00 -0.62 -0.10 0.00 -1.93 0.00 0.00 57.85 55.19 1rcn n ARG 33 Cb 0.33 -1.49 0.02 0.00 -1.16 0.00 0.00 32.46 30.16 1rcn n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1rcn n ASN 34 N -0.45 -3.66 -0.40 0.55 3.02 -0.65 -4.87 115.26 108.81 1rcn n ASN 34 Ca 0.13 -0.13 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 1rcn n ASN 34 Cb 0.36 -2.59 0.49 0.00 -0.61 0.00 0.00 39.78 37.44 1rcn n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rcn n LEU 35 N -1.97 1.21 -0.58 3.41 4.77 -0.54 -3.35 117.00 119.94 1rcn n LEU 35 Ca -0.06 -0.47 0.06 0.00 -0.03 0.00 0.00 56.01 55.51 1rcn n LEU 35 Cb 0.56 -0.05 0.19 0.00 -2.33 0.00 0.00 43.42 41.79 1rcn n LEU 35 CO 0.21 0.24 0.58 0.35 -1.33 0.00 0.00 177.39 177.44 1rcn n THR 36 N -0.01 2.18 0.07 -5.08 -2.24 -1.25 -2.32 114.28 105.63 1rcn n THR 36 Ca 0.17 -2.47 -0.03 0.00 -2.27 0.00 0.00 64.05 59.45 1rcn n THR 36 Cb 0.27 -0.26 0.21 0.00 -2.10 0.00 0.00 70.33 68.45 1rcn n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1rcn h LYS 37 N 0.81 0.32 0.00 -0.78 3.64 -1.91 -3.40 116.57 115.25 1rcn h LYS 37 Ca 0.04 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1rcn h LYS 37 Cb 1.23 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1rcn h LYS 37 CO 0.13 0.66 -0.27 -0.25 -2.27 0.00 0.00 179.45 177.44 1rcn n ASP 38 N -4.05 1.37 -3.50 4.20 9.92 -1.26 -5.07 116.55 118.16 1rcn n ASP 38 Ca -0.01 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.12 1rcn n ASP 38 Cb 0.47 0.25 -0.04 0.00 -0.64 0.00 0.00 41.12 41.17 1rcn n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rcn s ARG 39 N -0.65 1.16 -0.08 -1.24 1.04 -1.26 -5.14 118.95 112.79 1rcn s ARG 39 Ca 0.00 -0.37 -0.25 0.00 -1.04 0.00 0.00 55.73 54.07 1rcn s ARG 39 Cb 0.00 0.53 -0.03 0.00 -2.04 0.00 0.00 34.95 33.41 1rcn s ARG 39 CO 0.00 -0.47 0.78 0.00 -0.04 0.00 0.00 175.30 175.57 1rcn s LYS 41 N 1.14 3.93 0.35 0.00 2.20 -0.98 -4.94 119.74 121.42 1rcn s LYS 41 Ca 0.40 1.27 0.08 0.00 -0.36 0.00 0.00 55.97 57.36 1rcn s LYS 41 Cb -0.18 -3.88 0.64 0.00 -1.51 0.00 0.00 37.83 32.91 1rcn s LYS 41 CO 0.19 -1.11 1.83 -1.00 -0.36 0.00 0.00 175.35 174.90 1rcn h PRO 42 N 9.28 0.26 -4.48 4.03 0.13 -1.93 -3.43 132.00 135.86 1rcn h PRO 42 Ca -0.26 -0.08 -0.38 0.00 -0.87 0.00 0.00 66.00 64.41 1rcn h PRO 42 Cb 1.10 -0.02 -0.30 0.00 0.13 0.00 0.00 31.00 31.91 1rcn h PRO 42 CO 1.03 0.48 -0.77 0.08 -0.23 0.00 0.00 178.00 178.59 1rcn s VAL 43 N -4.51 0.59 -0.19 1.56 1.01 -1.26 -1.87 120.40 115.74 1rcn s VAL 43 Ca -0.05 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 1rcn s VAL 43 Cb 0.15 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 36.06 1rcn s VAL 43 CO 0.75 0.18 0.49 0.21 0.00 0.00 0.00 175.10 176.73 1rcn s ASN 44 N 0.02 -0.53 -0.07 3.32 2.47 -0.56 -5.00 114.94 114.60 1rcn s ASN 44 Ca 0.00 1.00 0.05 0.00 0.42 0.00 0.00 52.86 54.33 1rcn s ASN 44 Cb -0.05 0.99 -0.01 0.00 -1.45 0.00 0.00 41.25 40.73 1rcn s ASN 44 CO -0.00 -0.18 -0.24 -0.89 -3.72 0.00 0.00 177.10 172.08 1rcn s THR 45 N 0.47 1.97 -0.19 -5.21 2.01 -1.26 -0.67 115.64 112.75 1rcn s THR 45 Ca -0.02 -1.00 -0.05 0.00 0.31 0.00 0.00 61.69 60.93 1rcn s THR 45 Cb -0.04 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1rcn s THR 45 CO -0.02 0.55 0.01 -0.36 -0.69 0.00 0.00 174.62 174.10 1rcn s PHE 46 N 0.01 3.08 -0.15 4.92 0.08 -0.54 -4.39 117.98 121.00 1rcn s PHE 46 Ca -0.08 -0.31 -0.07 0.00 0.12 0.00 0.00 56.93 56.59 1rcn s PHE 46 Cb -0.15 -2.06 -0.04 0.00 -0.57 0.00 0.00 43.02 40.20 1rcn s PHE 46 CO 0.05 -0.12 0.11 0.08 -0.10 0.00 0.00 175.22 175.23 1rcn s VAL 47 N 0.76 5.20 -0.82 -0.44 1.01 0.10 -0.25 120.40 125.97 1rcn s VAL 47 Ca 0.01 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1rcn s VAL 47 Cb -0.14 -3.30 0.31 0.00 0.00 0.00 0.00 36.38 33.25 1rcn s VAL 47 CO 0.02 0.55 1.28 1.41 0.00 0.00 0.00 175.10 178.36 1rcn n HIS 48 N 2.66 3.28 -4.24 5.22 8.25 -0.06 -0.84 115.22 129.49 1rcn n HIS 48 Ca -0.18 -3.33 -0.18 0.00 -0.26 0.00 0.00 57.72 53.77 1rcn n HIS 48 Cb 0.54 -0.85 -0.07 0.00 1.12 0.00 0.00 29.99 30.72 1rcn n HIS 48 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1rcn n GLU 49 N 0.25 0.41 -2.67 -0.41 -0.58 -1.26 -4.56 120.64 111.82 1rcn n GLU 49 Ca 0.35 -3.09 -0.35 0.00 -0.42 0.00 0.00 57.16 53.65 1rcn n GLU 49 Cb 0.34 2.58 -0.05 0.00 -0.57 0.00 0.00 31.44 33.74 1rcn n GLU 49 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1rcn s SER 50 N -3.18 6.78 0.37 1.62 1.04 -1.26 -4.20 113.70 114.86 1rcn s SER 50 Ca 0.37 1.86 0.15 0.00 0.48 0.00 0.00 55.95 58.80 1rcn s SER 50 Cb 0.02 -2.56 1.00 0.00 0.10 0.00 0.00 66.02 64.57 1rcn s SER 50 CO 0.26 -0.47 1.77 0.25 0.98 0.00 0.00 173.24 176.03 1rcn h LEU 51 N 2.12 0.54 -0.54 2.42 5.85 -1.98 -0.14 115.31 123.58 1rcn h LEU 51 Ca -0.49 0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.20 1rcn h LEU 51 Cb 1.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1rcn h LEU 51 CO 0.61 0.13 -0.20 0.00 -0.34 0.00 0.00 178.44 178.64 1rcn h ALA 52 N 1.64 0.74 -0.11 1.25 0.00 -1.98 0.31 119.26 121.10 1rcn h ALA 52 Ca 0.59 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1rcn h ALA 52 Cb 1.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1rcn h ALA 52 CO -0.33 0.67 -0.49 -0.44 0.00 0.00 0.00 179.25 178.66 1rcn h ASP 53 N 0.84 0.31 0.02 0.00 5.19 -1.46 -2.52 116.42 118.80 1rcn h ASP 53 Ca 0.11 -0.15 -0.05 0.00 -0.62 0.00 0.00 57.03 56.32 1rcn h ASP 53 Cb 0.77 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.19 1rcn h ASP 53 CO 0.06 0.75 -0.24 0.58 -3.12 0.00 0.00 179.24 177.27 1rcn h VAL 54 N 0.23 1.67 -0.80 -1.35 2.07 -0.53 -3.28 116.25 114.26 1rcn h VAL 54 Ca 0.01 -2.36 0.19 0.00 0.82 0.00 0.00 66.70 65.36 1rcn h VAL 54 Cb 0.95 3.25 -0.13 0.00 -1.52 0.00 0.00 31.29 33.84 1rcn h VAL 54 CO 0.08 0.60 0.13 1.56 0.02 0.00 0.00 177.57 179.95 1rcn h GLN 55 N -0.91 0.17 -0.85 1.57 4.20 -0.52 -1.84 115.11 116.94 1rcn h GLN 55 Ca -0.06 -0.01 0.23 0.00 0.06 0.00 0.00 58.65 58.87 1rcn h GLN 55 Cb 1.12 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.82 1rcn h GLN 55 CO 0.00 0.11 0.60 0.00 -0.67 0.00 0.00 178.83 178.87 1rcn h ALA 56 N 1.72 2.62 -1.01 3.87 0.00 -1.50 -0.94 119.26 124.02 1rcn h ALA 56 Ca 0.46 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.60 1rcn h ALA 56 Cb 0.86 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.57 1rcn h ALA 56 CO -0.63 -0.87 0.61 0.28 0.00 0.00 0.00 179.25 178.64 1rcn h VAL 57 N 0.11 0.55 0.00 0.00 2.07 -1.44 0.15 116.25 117.69 1rcn h VAL 57 Ca 0.41 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1rcn h VAL 57 Cb 1.47 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1rcn h VAL 57 CO -0.05 0.10 0.12 0.00 0.02 0.00 0.00 177.57 177.76 1rcn n SER 59 N -1.54 3.63 0.00 0.00 7.64 0.52 -5.01 113.62 118.87 1rcn n SER 59 Ca -0.00 -3.03 0.00 0.00 1.01 0.00 0.00 58.87 56.85 1rcn n SER 59 Cb 0.13 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 1rcn n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rcn n GLN 60 N -0.66 0.39 -2.08 1.43 6.02 0.66 -5.01 117.38 118.13 1rcn n GLN 60 Ca 0.20 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.79 1rcn n GLN 60 Cb 0.85 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.08 1rcn n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rcn s LYS 61 N 4.13 3.00 0.07 -1.09 2.36 -1.16 -4.87 119.74 122.19 1rcn s LYS 61 Ca 0.00 0.91 -0.31 0.00 -2.55 0.00 0.00 55.97 54.02 1rcn s LYS 61 Cb 0.00 -4.27 -0.07 0.00 -1.05 0.00 0.00 37.83 32.44 1rcn s LYS 61 CO 0.00 -2.27 1.36 1.21 1.55 0.00 0.00 175.35 177.20 1rcn s ASN 62 N 6.77 6.88 0.19 1.43 2.47 -1.26 -0.97 114.94 130.44 1rcn s ASN 62 Ca 0.70 2.20 -0.01 0.00 0.42 0.00 0.00 52.86 56.17 1rcn s ASN 62 Cb -0.16 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 37.02 1rcn s ASN 62 CO 0.27 -0.64 0.12 0.68 -3.72 0.00 0.00 177.10 173.80 1rcn s VAL 63 N 1.53 0.01 0.26 -5.21 -7.23 0.24 -4.96 120.40 105.05 1rcn s VAL 63 Ca 0.63 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.52 1rcn s VAL 63 Cb -0.34 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.08 1rcn s VAL 63 CO 0.29 -0.07 0.98 0.00 -0.31 0.00 0.00 175.10 175.99 1rcn s ALA 64 N -4.14 3.34 0.70 1.32 0.00 -1.26 -2.97 121.76 118.73 1rcn s ALA 64 Ca 0.37 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 1rcn s ALA 64 Cb 0.07 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.96 1rcn s ALA 64 CO 0.11 0.11 1.06 0.00 0.00 0.00 0.00 175.76 177.04 1rcn h LYS 66 N -0.67 0.00 -0.48 0.00 1.57 -1.90 -0.98 116.57 114.10 1rcn h LYS 66 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1rcn h LYS 66 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1rcn h LYS 66 CO 0.56 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.71 1rcn n ASN 67 N -3.65 3.52 0.00 0.86 6.94 -1.26 -4.97 115.26 116.70 1rcn n ASN 67 Ca 0.04 -1.97 0.00 0.00 -0.02 0.00 0.00 54.58 52.63 1rcn n ASN 67 Cb 0.47 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 1rcn n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rcn n GLY 68 N 1.42 1.04 3.77 4.83 0.00 -0.37 -5.07 105.19 110.79 1rcn n GLY 68 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1rcn n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rcn s GLN 69 N -0.74 4.69 0.00 1.61 -0.21 -1.26 -4.76 119.66 119.00 1rcn s GLN 69 Ca 0.00 1.30 0.16 0.00 0.02 0.00 0.00 55.36 56.84 1rcn s GLN 69 Cb 0.00 -3.27 0.97 0.00 1.00 0.00 0.00 33.01 31.71 1rcn s GLN 69 CO 0.00 0.55 1.55 2.41 -2.12 0.00 0.00 175.29 177.68 1rcn n THR 70 N 1.55 0.00 -1.41 -0.19 -1.04 -1.26 -0.71 114.28 111.22 1rcn n THR 70 Ca -0.04 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.85 1rcn n THR 70 Cb 0.48 -0.33 0.19 0.00 -1.82 0.00 0.00 70.33 68.84 1rcn n THR 70 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1rcn n ASN 71 N -0.78 3.06 -4.88 8.00 2.04 -1.26 -4.68 115.26 116.75 1rcn n ASN 71 Ca 0.12 -3.75 -0.29 0.00 -0.44 0.00 0.00 54.58 50.23 1rcn n ASN 71 Cb 0.06 -0.70 -0.04 0.00 -2.53 0.00 0.00 39.78 36.56 1rcn n ASN 71 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1rcn s TYR 73 N -1.58 0.72 0.03 0.00 2.02 0.64 -0.59 117.35 118.58 1rcn s TYR 73 Ca 0.33 -0.36 0.09 0.00 -0.37 0.00 0.00 57.07 56.76 1rcn s TYR 73 Cb -0.12 -0.43 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 1rcn s TYR 73 CO 0.26 -0.04 -0.26 1.14 -1.57 0.00 0.00 175.55 175.09 1rcn s GLN 74 N -1.10 1.82 0.46 -0.62 -2.07 -0.14 -1.51 119.66 116.49 1rcn s GLN 74 Ca -0.04 -1.06 -0.25 0.00 -1.82 0.00 0.00 55.36 52.18 1rcn s GLN 74 Cb -0.07 -1.95 -0.08 0.00 -1.09 0.00 0.00 33.01 29.82 1rcn s GLN 74 CO 0.00 0.51 1.39 -1.54 -1.32 0.00 0.00 175.29 174.33 1rcn s SER 75 N -1.12 5.85 0.32 12.60 1.04 -0.91 -2.98 113.70 128.50 1rcn s SER 75 Ca 0.11 2.83 0.07 0.00 0.48 0.00 0.00 55.95 59.45 1rcn s SER 75 Cb -0.10 -2.65 0.53 0.00 0.10 0.00 0.00 66.02 63.91 1rcn s SER 75 CO 0.01 -1.19 1.75 1.88 0.98 0.00 0.00 173.24 176.68 1rcn h TYR 76 N 2.22 0.26 -6.24 5.02 0.05 -1.95 -3.45 116.97 112.88 1rcn h TYR 76 Ca -0.51 -0.06 -0.44 0.00 0.05 0.00 0.00 58.73 57.77 1rcn h TYR 76 Cb 1.27 -0.06 0.02 0.00 1.01 0.00 0.00 36.73 38.96 1rcn h TYR 76 CO 0.50 0.56 -0.08 -1.13 -1.05 0.00 0.00 178.16 176.95 1rcn n SER 77 N -4.08 1.98 -4.85 3.88 3.41 -1.26 -5.07 113.62 107.63 1rcn n SER 77 Ca -0.01 -2.42 -0.33 0.00 -0.26 0.00 0.00 58.87 55.84 1rcn n SER 77 Cb 0.43 -0.34 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 1rcn n SER 77 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rcn s THR 78 N -2.25 5.12 0.08 6.66 -4.23 -1.26 -4.38 115.64 115.37 1rcn s THR 78 Ca 0.51 -0.24 0.07 0.00 -1.18 0.00 0.00 61.69 60.85 1rcn s THR 78 Cb -0.04 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 1rcn s THR 78 CO 0.33 0.36 -0.20 -0.04 -0.54 0.00 0.00 174.62 174.53 1rcn s MET 79 N -1.77 1.12 0.11 3.99 -1.94 0.76 -4.79 119.30 116.78 1rcn s MET 79 Ca 0.24 -1.07 -0.31 0.00 -1.71 0.00 0.00 55.69 52.84 1rcn s MET 79 Cb -0.12 -1.31 -0.08 0.00 2.01 0.00 0.00 34.83 35.33 1rcn s MET 79 CO 0.15 0.31 1.43 0.45 -0.01 0.00 0.00 175.02 177.35 1rcn s SER 80 N -1.70 6.78 -0.08 3.03 0.15 -1.26 -1.43 113.70 119.19 1rcn s SER 80 Ca 0.05 2.36 -0.09 0.00 0.70 0.00 0.00 55.95 58.97 1rcn s SER 80 Cb -0.10 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.65 1rcn s SER 80 CO 0.03 -0.70 0.24 0.27 1.20 0.00 0.00 173.24 174.29 1rcn s ILE 81 N 1.30 0.01 -0.29 6.45 -4.36 0.39 -0.88 121.20 123.82 1rcn s ILE 81 Ca 0.66 -0.05 -0.04 0.00 -0.26 0.00 0.00 60.65 60.96 1rcn s ILE 81 Cb -0.37 -0.36 0.03 0.00 1.25 0.00 0.00 42.46 43.01 1rcn s ILE 81 CO 0.30 -0.03 0.02 -0.89 0.24 0.00 0.00 174.94 174.58 1rcn s THR 82 N 0.00 3.34 0.32 8.37 2.01 0.66 -0.96 115.64 129.38 1rcn s THR 82 Ca -0.01 -1.06 -0.27 0.00 0.31 0.00 0.00 61.69 60.66 1rcn s THR 82 Cb -0.02 -2.80 -0.09 0.00 0.01 0.00 0.00 72.50 69.60 1rcn s THR 82 CO 0.01 0.02 0.99 -1.81 -0.69 0.00 0.00 174.62 173.13 1rcn s ASP 83 N 1.36 7.25 -0.09 3.53 1.01 -0.21 -1.47 116.67 128.05 1rcn s ASP 83 Ca -0.01 1.96 -0.00 0.00 0.71 0.00 0.00 52.55 55.21 1rcn s ASP 83 Cb -0.18 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.18 1rcn s ASP 83 CO -0.01 -0.14 -0.07 0.00 0.21 0.00 0.00 175.17 175.17 1rcn s ARG 85 N 1.53 1.48 0.23 0.00 3.03 -0.75 -1.49 118.95 122.98 1rcn s ARG 85 Ca 0.01 -0.76 -0.28 0.00 2.03 0.00 0.00 55.73 56.73 1rcn s ARG 85 Cb -0.13 -1.48 -0.09 0.00 -1.03 0.00 0.00 34.95 32.22 1rcn s ARG 85 CO -0.05 0.40 0.89 -1.83 -1.13 0.00 0.00 175.30 173.58 1rcn s GLU 86 N -0.69 4.74 0.84 3.89 -1.05 -0.78 0.30 118.70 125.95 1rcn s GLU 86 Ca 0.07 1.37 -0.12 0.00 -0.15 0.00 0.00 54.97 56.14 1rcn s GLU 86 Cb -0.08 -3.21 0.10 0.00 -0.44 0.00 0.00 34.13 30.50 1rcn s GLU 86 CO 0.00 0.50 1.15 0.95 0.95 0.00 0.00 175.26 178.81 1rcn s THR 87 N -1.23 2.22 0.41 1.83 -4.23 -0.62 -4.89 115.64 109.14 1rcn s THR 87 Ca 0.41 0.07 0.08 0.00 -1.18 0.00 0.00 61.69 61.07 1rcn s THR 87 Cb -0.24 -2.95 0.24 0.00 1.34 0.00 0.00 72.50 70.89 1rcn s THR 87 CO 0.29 -0.10 2.03 1.23 -0.54 0.00 0.00 174.62 177.54 1rcn h GLY 88 N -1.20 0.45 -0.34 3.99 0.00 -1.95 -2.10 103.07 101.92 1rcn h GLY 88 Ca -0.48 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1rcn h GLY 88 CO 0.64 0.18 0.00 -1.14 0.00 0.00 0.00 176.54 176.22 1rcn n SER 89 N -4.44 0.99 -4.76 0.19 3.41 -1.26 -4.93 113.62 102.83 1rcn n SER 89 Ca 0.02 -1.67 -0.40 0.00 -0.26 0.00 0.00 58.87 56.55 1rcn n SER 89 Cb 0.11 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 63.94 1rcn n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rcn s SER 90 N -1.45 7.25 -0.25 4.04 0.15 -0.79 -4.87 113.70 117.77 1rcn s SER 90 Ca 0.27 2.23 -0.04 0.00 0.70 0.00 0.00 55.95 59.11 1rcn s SER 90 Cb 0.14 -2.62 0.14 0.00 -1.71 0.00 0.00 66.02 61.96 1rcn s SER 90 CO 0.21 -0.15 0.44 -0.75 1.20 0.00 0.00 173.24 174.19 1rcn s LYS 91 N -1.53 0.40 0.19 5.44 2.47 -1.24 -4.91 119.74 120.56 1rcn s LYS 91 Ca 0.45 0.78 -0.33 0.00 -1.56 0.00 0.00 55.97 55.32 1rcn s LYS 91 Cb -0.31 -0.03 -0.14 0.00 -1.46 0.00 0.00 37.83 35.89 1rcn s LYS 91 CO 0.39 -0.53 1.38 0.98 0.16 0.00 0.00 175.35 177.73 1rcn n TYR 92 N 5.39 1.91 1.26 4.03 9.36 -1.26 0.14 117.16 137.99 1rcn n TYR 92 Ca -0.05 0.48 0.14 0.00 3.32 0.00 0.00 57.90 61.79 1rcn n TYR 92 Cb 0.50 -2.42 0.55 0.00 -0.63 0.00 0.00 39.34 37.34 1rcn n TYR 92 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1rcn n PRO 93 N 2.32 0.45 -3.10 2.98 -0.02 -1.26 -4.96 135.00 131.40 1rcn n PRO 93 Ca 0.14 -0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.06 1rcn n PRO 93 Cb 0.28 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 1rcn n PRO 93 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1rcn n ASN 94 N -1.14 5.95 -4.69 2.55 3.02 0.12 -5.00 115.26 116.08 1rcn n ASN 94 Ca 0.12 -3.38 -0.43 0.00 -0.03 0.00 0.00 54.58 50.85 1rcn n ASN 94 Cb 0.30 -1.19 -0.03 0.00 -0.61 0.00 0.00 39.78 38.25 1rcn n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rcn s ALA 96 N 2.27 2.72 0.12 0.00 0.00 -1.26 -4.96 121.76 120.65 1rcn s ALA 96 Ca 0.81 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.93 1rcn s ALA 96 Cb -0.53 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1rcn s ALA 96 CO 0.37 0.40 -0.18 0.71 0.00 0.00 0.00 175.76 177.07 1rcn s TYR 97 N -0.19 1.63 -0.22 0.00 1.51 -1.26 -1.59 117.35 117.24 1rcn s TYR 97 Ca 0.01 -0.47 -0.09 0.00 -1.01 0.00 0.00 57.07 55.51 1rcn s TYR 97 Cb -0.13 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 1rcn s TYR 97 CO 0.03 0.21 0.11 0.21 -1.11 0.00 0.00 175.55 175.00 1rcn s LYS 98 N -2.31 4.01 -0.25 -0.62 2.20 0.15 -4.78 119.74 118.13 1rcn s LYS 98 Ca 0.08 -0.31 -0.12 0.00 -0.36 0.00 0.00 55.97 55.26 1rcn s LYS 98 Cb -0.08 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1rcn s LYS 98 CO 0.04 0.14 0.23 0.99 -0.36 0.00 0.00 175.35 176.39 1rcn s THR 99 N 0.78 5.30 -0.10 3.43 2.01 -1.26 -1.82 115.64 123.99 1rcn s THR 99 Ca 0.06 0.31 0.03 0.00 0.31 0.00 0.00 61.69 62.39 1rcn s THR 99 Cb -0.13 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.82 1rcn s THR 99 CO 0.02 0.29 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.17 1rcn s THR 100 N 1.36 1.67 -0.16 -0.82 2.01 -0.68 -4.98 115.64 114.04 1rcn s THR 100 Ca 0.10 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.27 1rcn s THR 100 Cb -0.14 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 1rcn s THR 100 CO 0.07 0.47 0.00 -1.58 -0.69 0.00 0.00 174.62 172.90 1rcn s GLN 101 N 0.63 3.76 0.06 4.92 2.00 -1.26 -1.04 119.66 128.73 1rcn s GLN 101 Ca -0.14 -0.45 -0.14 0.00 -2.00 0.00 0.00 55.36 52.64 1rcn s GLN 101 Cb -0.16 -3.02 0.02 0.00 0.80 0.00 0.00 33.01 30.64 1rcn s GLN 101 CO 0.04 0.28 0.31 0.00 -0.50 0.00 0.00 175.29 175.41 1rcn s ALA 102 N 0.30 -0.68 -0.55 1.58 0.00 -0.13 -5.01 121.76 117.27 1rcn s ALA 102 Ca -0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 1rcn s ALA 102 Cb -0.13 0.39 0.14 0.00 0.00 0.00 0.00 23.12 23.52 1rcn s ALA 102 CO 0.02 -0.46 0.41 1.21 0.00 0.00 0.00 175.76 176.94 1rcn s ASN 103 N -2.26 5.64 0.28 0.00 2.47 -1.26 -0.46 114.94 119.35 1rcn s ASN 103 Ca -0.03 -2.30 -0.01 0.00 0.42 0.00 0.00 52.86 50.94 1rcn s ASN 103 Cb 0.00 -1.96 0.01 0.00 -1.45 0.00 0.00 41.25 37.84 1rcn s ASN 103 CO -0.05 -0.56 0.39 2.29 -3.72 0.00 0.00 177.10 175.44 1rcn n LYS 104 N 4.33 0.56 -2.44 0.43 2.85 -0.51 -4.71 118.16 118.67 1rcn n LYS 104 Ca 0.00 -2.28 -0.41 0.00 -1.05 0.00 0.00 58.31 54.57 1rcn n LYS 104 Cb 0.41 2.18 -0.04 0.00 -0.65 0.00 0.00 35.03 36.93 1rcn n LYS 104 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1rcn s HIS 105 N -3.31 3.50 0.11 5.58 3.76 -0.07 -0.17 115.29 124.69 1rcn s HIS 105 Ca 0.24 1.51 -0.06 0.00 -0.15 0.00 0.00 55.06 56.60 1rcn s HIS 105 Cb -0.01 -3.36 -0.05 0.00 1.11 0.00 0.00 32.58 30.27 1rcn s HIS 105 CO 0.17 -0.93 0.36 0.96 -0.85 0.00 0.00 174.74 174.46 1rcn s ILE 106 N -0.14 5.18 -0.22 0.60 -4.36 -1.26 -0.96 121.20 120.03 1rcn s ILE 106 Ca 0.51 0.10 -0.00 0.00 -0.26 0.00 0.00 60.65 61.00 1rcn s ILE 106 Cb -0.31 -3.62 0.03 0.00 1.25 0.00 0.00 42.46 39.80 1rcn s ILE 106 CO 0.36 0.12 -0.12 -0.63 0.24 0.00 0.00 174.94 174.91 1rcn s ILE 107 N -1.57 2.50 0.18 8.37 1.09 0.23 -2.13 121.20 129.87 1rcn s ILE 107 Ca 0.38 -1.05 0.09 0.00 -1.10 0.00 0.00 60.65 58.97 1rcn s ILE 107 Cb -0.13 -2.22 -0.04 0.00 -1.06 0.00 0.00 42.46 39.02 1rcn s ILE 107 CO 0.23 0.31 -0.08 0.68 -0.10 0.00 0.00 174.94 175.97 1rcn s VAL 108 N 1.29 3.24 -0.04 2.92 -7.23 -0.57 -0.13 120.40 119.88 1rcn s VAL 108 Ca 0.01 -1.65 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1rcn s VAL 108 Cb -0.16 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 1rcn s VAL 108 CO -0.08 -0.12 0.11 0.00 -0.31 0.00 0.00 175.10 174.70 1rcn s ALA 109 N -1.73 3.70 0.07 1.32 0.00 -0.66 -0.26 121.76 124.19 1rcn s ALA 109 Ca 0.25 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.51 1rcn s ALA 109 Cb -0.09 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 1rcn s ALA 109 CO 0.16 0.67 -0.21 0.00 0.00 0.00 0.00 175.76 176.38 1rcn s GLU 111 N -1.56 0.59 0.00 0.00 2.02 -0.39 -4.89 118.70 114.46 1rcn s GLU 111 Ca 0.07 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 54.99 1rcn s GLU 111 Cb -0.09 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.40 1rcn s GLU 111 CO 0.03 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1rcn n GLY 112 N 1.65 -2.96 2.68 -1.39 0.00 -1.26 -2.47 105.19 101.45 1rcn n GLY 112 Ca -0.20 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.42 1rcn n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rcn s ASN 113 N -1.59 3.41 0.58 1.61 2.47 -1.26 -2.36 114.94 117.81 1rcn s ASN 113 Ca 0.00 -1.20 -0.20 0.00 0.42 0.00 0.00 52.86 51.89 1rcn s ASN 113 Cb 0.00 -0.62 -0.04 0.00 -1.45 0.00 0.00 41.25 39.15 1rcn s ASN 113 CO 0.00 -0.38 1.25 -2.16 -3.72 0.00 0.00 177.10 172.09 1rcn s PRO 114 N 1.84 3.01 -0.65 0.43 0.04 -1.26 -5.08 135.00 133.33 1rcn s PRO 114 Ca 0.05 1.94 -0.26 0.00 0.04 0.00 0.00 61.00 62.77 1rcn s PRO 114 Cb -0.17 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1rcn s PRO 114 CO -0.20 -1.21 1.14 -0.47 0.04 0.00 0.00 177.00 176.30 1rcn s TYR 115 N -1.49 2.53 0.10 0.56 5.04 -0.99 -4.85 117.35 118.24 1rcn s TYR 115 Ca 0.76 -0.00 0.08 0.00 -2.44 0.00 0.00 57.07 55.47 1rcn s TYR 115 Cb -0.33 -4.44 -0.04 0.00 0.35 0.00 0.00 41.96 37.50 1rcn s TYR 115 CO 0.37 -1.74 -0.15 0.08 -1.34 0.00 0.00 175.55 172.78 1rcn s VAL 116 N 4.91 3.07 0.28 3.14 1.01 -1.03 -4.86 120.40 126.92 1rcn s VAL 116 Ca 0.34 -1.36 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 1rcn s VAL 116 Cb -0.10 -2.41 -0.12 0.00 0.00 0.00 0.00 36.38 33.75 1rcn s VAL 116 CO 0.18 0.13 1.63 -0.81 0.00 0.00 0.00 175.10 176.23 1rcn n PRO 117 N 0.85 2.74 0.00 2.72 -0.04 -1.26 -1.26 135.00 138.74 1rcn n PRO 117 Ca -0.15 0.98 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1rcn n PRO 117 Cb 0.52 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 1rcn n PRO 117 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1rcn n VAL 118 N 2.49 0.00 -3.58 0.52 0.31 0.46 -4.50 118.33 114.03 1rcn n VAL 118 Ca 0.10 -0.20 -0.17 0.00 -0.01 0.00 0.00 64.34 64.06 1rcn n VAL 118 Cb 0.36 0.70 -0.07 0.00 -0.91 0.00 0.00 33.84 33.93 1rcn n VAL 118 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1rcn s HIS 119 N -1.21 -0.58 -0.20 3.52 5.65 -1.19 -4.69 115.29 116.59 1rcn s HIS 119 Ca 0.00 1.04 -0.08 0.00 0.25 0.00 0.00 55.06 56.27 1rcn s HIS 119 Cb 0.00 0.33 -0.04 0.00 -1.18 0.00 0.00 32.58 31.69 1rcn s HIS 119 CO 0.00 -0.54 0.09 0.12 -0.65 0.00 0.00 174.74 173.76 1rcn s PHE 120 N -1.03 3.27 -0.12 3.88 2.19 -1.26 -1.66 117.98 123.25 1rcn s PHE 120 Ca -0.10 0.10 0.02 0.00 0.33 0.00 0.00 56.93 57.27 1rcn s PHE 120 Cb -0.02 -2.14 -0.08 0.00 -1.31 0.00 0.00 43.02 39.48 1rcn s PHE 120 CO 0.08 0.12 -0.09 -3.47 1.83 0.00 0.00 175.22 173.69 1rcn n ASP 121 N 3.78 3.04 -3.61 6.13 2.03 0.82 -4.94 116.55 123.80 1rcn n ASP 121 Ca -0.16 -0.06 -0.01 0.00 0.52 0.00 0.00 54.79 55.08 1rcn n ASP 121 Cb 0.52 -0.09 -0.01 0.00 -0.72 0.00 0.00 41.12 40.82 1rcn n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rcn s ALA 122 N -2.23 -2.19 0.17 -1.67 0.00 -1.04 -4.89 121.76 109.91 1rcn s ALA 122 Ca -0.15 1.25 0.05 0.00 0.00 0.00 0.00 51.96 53.12 1rcn s ALA 122 Cb 0.04 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1rcn s ALA 122 CO 0.28 -0.80 -0.11 -1.54 0.00 0.00 0.00 175.76 173.60 1rcn s SER 123 N -2.53 2.02 0.00 0.00 1.04 -1.26 0.74 113.70 113.72 1rcn s SER 123 Ca 0.12 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1rcn s SER 123 Cb 0.02 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1rcn s SER 123 CO -0.04 -0.30 0.00 0.55 0.98 0.00 0.00 173.24 174.43