#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rat n GLU 2 N 0.00 0.79 -1.56 -1.58 2.13 -1.26 -4.93 120.64 114.22 1rat n GLU 2 Ca 0.00 0.28 -0.32 0.00 0.66 0.00 0.00 57.16 57.79 1rat n GLU 2 Cb 0.00 -1.87 0.06 0.00 0.27 0.00 0.00 31.44 29.90 1rat n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1rat s THR 3 N 0.29 3.50 0.37 6.31 -4.23 -1.26 -4.85 115.64 115.78 1rat s THR 3 Ca 0.86 0.57 0.19 0.00 -1.18 0.00 0.00 61.69 62.12 1rat s THR 3 Cb -1.05 -3.12 0.18 0.00 1.34 0.00 0.00 72.50 69.85 1rat s THR 3 CO 0.50 -0.56 1.93 0.00 -0.54 0.00 0.00 174.62 175.95 1rat h ALA 4 N -0.52 1.37 -0.15 3.99 0.00 -1.93 0.06 119.26 122.07 1rat h ALA 4 Ca -0.45 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 1rat h ALA 4 Cb 1.23 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rat h ALA 4 CO 0.54 0.31 -0.17 0.00 0.00 0.00 0.00 179.25 179.93 1rat h ALA 5 N 1.75 0.22 0.21 0.00 0.00 -1.89 -2.06 119.26 117.49 1rat h ALA 5 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1rat h ALA 5 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1rat h ALA 5 CO 0.03 0.13 -0.10 0.00 0.00 0.00 0.00 179.25 179.31 1rat h ALA 6 N 0.59 -0.28 -0.99 0.00 0.00 -1.78 -2.80 119.26 114.00 1rat h ALA 6 Ca 0.02 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1rat h ALA 6 Cb 0.72 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 1rat h ALA 6 CO 0.04 -0.65 0.63 -0.22 0.00 0.00 0.00 179.25 179.05 1rat h LYS 7 N -0.30 1.00 -0.45 0.00 3.64 -1.02 -0.09 116.57 119.36 1rat h LYS 7 Ca -0.03 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1rat h LYS 7 Cb 0.23 -0.23 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 1rat h LYS 7 CO 0.05 0.66 -0.08 0.35 -2.27 0.00 0.00 179.45 178.16 1rat h PHE 8 N 1.03 -0.17 -0.33 1.91 3.04 -1.23 0.20 116.94 121.40 1rat h PHE 8 Ca 0.46 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.41 1rat h PHE 8 Cb 0.38 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 1rat h PHE 8 CO -0.00 -0.17 0.06 0.93 -2.02 0.00 0.00 178.31 177.11 1rat h GLU 9 N 0.03 0.54 -0.49 1.11 5.08 -1.11 0.35 114.58 120.08 1rat h GLU 9 Ca 0.22 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1rat h GLU 9 Cb 0.34 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1rat h GLU 9 CO -0.44 0.62 0.22 -0.09 -1.00 0.00 0.00 179.01 178.32 1rat h ARG 10 N 0.37 0.72 0.14 2.33 2.43 -0.62 -2.05 114.38 117.71 1rat h ARG 10 Ca 0.10 -0.12 -0.28 0.00 -0.81 0.00 0.00 59.98 58.87 1rat h ARG 10 Cb 0.34 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1rat h ARG 10 CO 0.01 0.62 -1.27 1.96 -1.51 0.00 0.00 179.97 179.78 1rat h GLN 11 N 0.65 0.30 -0.00 0.20 4.20 -0.54 -3.42 115.11 116.50 1rat h GLN 11 Ca 0.17 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1rat h GLN 11 Cb 0.15 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1rat h GLN 11 CO -0.02 1.25 -0.05 0.72 -0.67 0.00 0.00 178.83 180.06 1rat n HIS 12 N -3.55 0.00 -3.77 2.96 8.25 0.12 -4.73 115.22 114.50 1rat n HIS 12 Ca -0.09 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.00 1rat n HIS 12 Cb 1.03 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 32.08 1rat n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rat s MET 13 N -1.05 3.63 -0.43 -0.41 -1.94 -0.77 0.18 119.30 118.51 1rat s MET 13 Ca 0.00 -0.01 0.07 0.00 -1.71 0.00 0.00 55.69 54.05 1rat s MET 13 Cb 0.01 -3.22 0.25 0.00 2.01 0.00 0.00 34.83 33.87 1rat s MET 13 CO 0.04 0.70 0.65 -3.47 -0.01 0.00 0.00 175.02 172.93 1rat n ASP 14 N 2.12 -0.91 0.00 3.03 2.03 0.12 -4.80 116.55 118.14 1rat n ASP 14 Ca -0.18 -2.90 0.07 0.00 0.52 0.00 0.00 54.79 52.30 1rat n ASP 14 Cb 0.54 0.22 0.32 0.00 -0.72 0.00 0.00 41.12 41.48 1rat n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1rat n SER 15 N 1.51 0.00 0.01 1.67 7.64 -1.26 -3.50 113.62 119.70 1rat n SER 15 Ca 0.17 0.29 0.13 0.00 1.01 0.00 0.00 58.87 60.47 1rat n SER 15 Cb 0.56 -0.39 0.43 0.00 -1.01 0.00 0.00 64.21 63.80 1rat n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rat n SER 16 N -1.39 0.29 -4.10 6.43 3.41 -1.26 -4.82 113.62 112.18 1rat n SER 16 Ca 0.05 0.18 -0.18 0.00 -0.26 0.00 0.00 58.87 58.66 1rat n SER 16 Cb 0.14 -0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 1rat n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rat s THR 17 N -3.02 0.89 -0.40 6.66 -4.23 -1.23 -5.04 115.64 109.28 1rat s THR 17 Ca 0.12 -0.91 0.22 0.00 -1.18 0.00 0.00 61.69 59.95 1rat s THR 17 Cb 0.18 -0.83 0.29 0.00 1.34 0.00 0.00 72.50 73.47 1rat s THR 17 CO 0.61 -0.06 1.54 0.77 -0.54 0.00 0.00 174.62 176.94 1rat h SER 18 N 4.99 0.00 -5.76 3.99 4.64 -1.88 -3.43 113.55 116.09 1rat h SER 18 Ca -0.36 0.00 0.31 0.00 -0.47 0.00 0.00 61.79 61.27 1rat h SER 18 Cb 1.19 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.21 1rat h SER 18 CO 0.44 0.03 0.84 0.00 -0.87 0.00 0.00 176.83 177.27 1rat s ALA 19 N -3.21 -2.30 -0.03 5.18 0.00 -1.26 -4.83 121.76 115.31 1rat s ALA 19 Ca 0.06 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 1rat s ALA 19 Cb 0.06 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1rat s ALA 19 CO 0.69 -1.12 1.16 0.00 0.00 0.00 0.00 175.76 176.49 1rat s ALA 20 N -2.11 3.44 -0.37 0.00 0.00 -1.26 -4.93 121.76 116.53 1rat s ALA 20 Ca 0.26 0.63 0.23 0.00 0.00 0.00 0.00 51.96 53.08 1rat s ALA 20 Cb 0.00 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1rat s ALA 20 CO -0.00 -0.64 1.00 -1.13 0.00 0.00 0.00 175.76 174.99 1rat n SER 21 N 4.82 0.65 -3.89 0.00 3.41 -1.26 -4.97 113.62 112.39 1rat n SER 21 Ca 0.10 0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.73 1rat n SER 21 Cb 0.47 0.71 -0.07 0.00 -0.26 0.00 0.00 64.21 65.06 1rat n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rat s SER 22 N -4.70 0.04 0.62 4.04 1.04 -1.26 -5.05 113.70 108.43 1rat s SER 22 Ca 0.01 -0.74 0.35 0.00 0.48 0.00 0.00 55.95 56.05 1rat s SER 22 Cb 0.12 0.41 2.01 0.00 0.10 0.00 0.00 66.02 68.66 1rat s SER 22 CO 0.80 -0.84 2.25 0.77 0.98 0.00 0.00 173.24 177.20 1rat h SER 23 N 2.59 0.00 -0.01 7.02 4.64 -1.93 -1.66 113.55 124.20 1rat h SER 23 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1rat h SER 23 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1rat h SER 23 CO 0.50 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.05 1rat n ASN 24 N -3.49 0.13 -0.03 4.97 3.02 -1.26 -4.26 115.26 114.34 1rat n ASN 24 Ca -0.02 -1.23 -0.10 0.00 -0.03 0.00 0.00 54.58 53.19 1rat n ASN 24 Cb 0.14 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 1rat n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1rat h TYR 25 N 0.19 -0.97 -0.67 3.10 3.20 -1.69 -0.90 116.97 119.24 1rat h TYR 25 Ca 0.00 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1rat h TYR 25 Cb 0.04 0.46 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1rat h TYR 25 CO 0.00 -0.41 0.40 0.00 -1.64 0.00 0.00 178.16 176.51 1rat h ASN 27 N 0.91 0.25 -0.09 0.00 2.35 -1.71 0.25 115.58 117.54 1rat h ASN 27 Ca 0.24 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 56.03 1rat h ASN 27 Cb -0.02 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1rat h ASN 27 CO -0.04 0.16 -0.03 1.56 -1.65 0.00 0.00 177.43 177.43 1rat h GLN 28 N 0.42 0.18 -0.35 0.81 4.20 -0.68 -3.02 115.11 116.68 1rat h GLN 28 Ca 0.28 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.84 1rat h GLN 28 Cb 0.32 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1rat h GLN 28 CO -0.27 0.51 -0.08 0.52 -0.67 0.00 0.00 178.83 178.84 1rat h MET 29 N -0.16 0.67 -0.63 1.46 2.86 -0.31 0.84 114.93 119.66 1rat h MET 29 Ca 0.02 -0.26 0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1rat h MET 29 Cb 0.45 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1rat h MET 29 CO 0.01 0.84 0.41 0.52 1.06 0.00 0.00 176.91 179.75 1rat h MET 30 N 0.46 0.80 -0.24 1.72 2.86 -0.61 -0.94 114.93 118.99 1rat h MET 30 Ca 0.09 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1rat h MET 30 Cb 0.59 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1rat h MET 30 CO 0.03 0.53 -0.09 -0.22 1.06 0.00 0.00 176.91 178.23 1rat h LYS 31 N 0.83 0.49 -0.08 1.72 3.64 -1.39 0.24 116.57 122.02 1rat h LYS 31 Ca 0.24 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1rat h LYS 31 Cb -0.06 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1rat h LYS 31 CO -0.07 0.74 -0.50 0.66 -2.27 0.00 0.00 179.45 178.01 1rat h SER 32 N 0.22 0.22 -0.06 4.20 4.64 -0.70 -1.84 113.55 120.22 1rat h SER 32 Ca 0.06 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1rat h SER 32 Cb 0.58 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1rat h SER 32 CO 0.03 0.68 0.00 0.54 -0.87 0.00 0.00 176.83 177.21 1rat n ARG 33 N -3.95 1.18 -1.87 4.77 5.12 -0.37 -4.90 116.66 116.65 1rat n ARG 33 Ca -0.02 -0.28 -0.12 0.00 -1.93 0.00 0.00 57.85 55.50 1rat n ARG 33 Cb 0.54 -1.18 -0.03 0.00 -1.16 0.00 0.00 32.46 30.63 1rat n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1rat n ASN 34 N -0.38 -4.12 -0.44 0.55 3.02 -0.69 -4.84 115.26 108.36 1rat n ASN 34 Ca 0.08 0.12 0.04 0.00 -0.03 0.00 0.00 54.58 54.79 1rat n ASN 34 Cb 0.10 -3.07 0.11 0.00 -0.61 0.00 0.00 39.78 36.31 1rat n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rat n LEU 35 N -1.60 1.26 0.00 3.41 4.77 0.84 -3.67 117.00 122.02 1rat n LEU 35 Ca -0.14 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1rat n LEU 35 Cb 0.52 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1rat n LEU 35 CO 0.18 0.31 0.23 0.35 -1.33 0.00 0.00 177.39 177.13 1rat n THR 36 N 0.19 0.22 -0.04 -5.08 -2.24 -1.23 -2.70 114.28 103.40 1rat n THR 36 Ca 0.08 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.38 1rat n THR 36 Cb 0.20 1.17 -0.08 0.00 -2.10 0.00 0.00 70.33 69.52 1rat n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1rat h LYS 37 N 0.00 -0.49 0.00 -0.78 3.64 -1.89 -3.34 116.57 113.71 1rat h LYS 37 Ca 0.00 0.03 -0.35 0.00 -1.27 0.00 0.00 60.65 59.06 1rat h LYS 37 Cb 0.50 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 1rat h LYS 37 CO 0.00 -0.33 -2.23 -0.25 -2.27 0.00 0.00 179.45 174.37 1rat n ASP 38 N -5.43 0.40 -3.59 4.20 8.00 -1.26 -5.04 116.55 113.83 1rat n ASP 38 Ca -0.05 0.09 -0.08 0.00 0.71 0.00 0.00 54.79 55.47 1rat n ASP 38 Cb 0.37 0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 42.05 1rat n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rat s ARG 39 N -2.52 1.18 -0.67 -1.24 1.70 -1.25 -5.11 118.95 111.04 1rat s ARG 39 Ca -0.11 -0.54 -0.27 0.00 -0.47 0.00 0.00 55.73 54.35 1rat s ARG 39 Cb 0.07 0.48 0.04 0.00 -0.57 0.00 0.00 34.95 34.96 1rat s ARG 39 CO 0.81 -0.53 1.19 0.00 -1.08 0.00 0.00 175.30 175.69 1rat n LYS 41 N 8.78 2.74 -0.25 0.00 4.81 -1.10 -4.87 118.16 128.27 1rat n LYS 41 Ca 0.03 0.99 -0.06 0.00 -0.87 0.00 0.00 58.31 58.40 1rat n LYS 41 Cb 0.48 -2.99 0.05 0.00 0.02 0.00 0.00 35.03 32.59 1rat n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1rat h PRO 42 N 10.79 0.97 -4.52 1.64 0.11 -1.93 -3.45 132.00 135.62 1rat h PRO 42 Ca -0.49 -0.14 -0.27 0.00 0.11 0.00 0.00 66.00 65.22 1rat h PRO 42 Cb 1.24 -0.18 -0.21 0.00 0.11 0.00 0.00 31.00 31.96 1rat h PRO 42 CO 0.94 0.76 -0.73 0.08 -0.21 0.00 0.00 178.00 178.84 1rat s VAL 43 N -5.74 0.51 -0.28 3.15 1.01 -1.26 -1.94 120.40 115.85 1rat s VAL 43 Ca -0.13 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 60.59 1rat s VAL 43 Cb 0.14 -0.58 0.10 0.00 0.00 0.00 0.00 36.38 36.04 1rat s VAL 43 CO 0.80 -0.38 0.85 0.21 0.00 0.00 0.00 175.10 176.57 1rat s ASN 44 N -1.54 -0.67 -0.04 3.32 2.47 -0.52 -5.01 114.94 112.94 1rat s ASN 44 Ca -0.10 1.19 0.03 0.00 0.42 0.00 0.00 52.86 54.41 1rat s ASN 44 Cb -0.10 1.24 -0.03 0.00 -1.45 0.00 0.00 41.25 40.91 1rat s ASN 44 CO 0.00 -0.20 -0.13 -0.89 -3.72 0.00 0.00 177.10 172.16 1rat s THR 45 N 0.80 3.15 -0.08 -5.21 2.01 -1.26 -0.12 115.64 114.93 1rat s THR 45 Ca -0.03 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.28 1rat s THR 45 Cb -0.05 -2.26 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1rat s THR 45 CO -0.09 0.56 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.84 1rat s PHE 46 N -0.77 2.58 -0.23 4.92 0.08 0.26 -4.37 117.98 120.45 1rat s PHE 46 Ca 0.12 -0.70 -0.05 0.00 0.12 0.00 0.00 56.93 56.42 1rat s PHE 46 Cb -0.11 -1.68 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1rat s PHE 46 CO 0.01 -0.21 -0.01 0.08 -0.10 0.00 0.00 175.22 175.00 1rat s VAL 47 N -0.02 3.66 -1.11 -0.44 1.01 0.13 -0.27 120.40 123.36 1rat s VAL 47 Ca -0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1rat s VAL 47 Cb -0.15 -2.68 0.29 0.00 0.00 0.00 0.00 36.38 33.84 1rat s VAL 47 CO 0.05 0.40 1.58 1.41 0.00 0.00 0.00 175.10 178.53 1rat n HIS 48 N 4.82 2.35 -4.08 5.22 8.25 0.13 0.13 115.22 132.04 1rat n HIS 48 Ca -0.18 -2.60 -0.11 0.00 -0.26 0.00 0.00 57.72 54.58 1rat n HIS 48 Cb 0.51 -1.35 -0.07 0.00 1.12 0.00 0.00 29.99 30.20 1rat n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1rat s GLU 49 N -2.43 1.51 0.67 -0.41 0.41 -1.26 -4.45 118.70 112.74 1rat s GLU 49 Ca 0.33 -1.46 -0.13 0.00 -0.41 0.00 0.00 54.97 53.29 1rat s GLU 49 Cb 0.07 0.40 0.00 0.00 -1.78 0.00 0.00 34.13 32.82 1rat s GLU 49 CO 0.08 -0.59 1.08 -1.54 -0.49 0.00 0.00 175.26 173.79 1rat s SER 50 N -3.10 5.25 0.10 -0.19 1.04 -1.26 -3.99 113.70 111.54 1rat s SER 50 Ca 0.29 1.81 -0.26 0.00 0.48 0.00 0.00 55.95 58.27 1rat s SER 50 Cb 0.02 -2.53 -0.12 0.00 0.10 0.00 0.00 66.02 63.49 1rat s SER 50 CO 0.12 -1.53 1.67 0.25 0.98 0.00 0.00 173.24 174.73 1rat h LEU 51 N -0.29 -0.46 -0.91 2.42 5.85 -1.97 -1.91 115.31 118.04 1rat h LEU 51 Ca -0.45 0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.44 1rat h LEU 51 Cb 1.23 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 42.33 1rat h LEU 51 CO 0.55 -0.26 0.53 0.00 -0.34 0.00 0.00 178.44 178.91 1rat h ALA 52 N 0.39 1.36 -0.48 1.25 0.00 -1.98 0.20 119.26 120.01 1rat h ALA 52 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1rat h ALA 52 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1rat h ALA 52 CO -0.04 0.07 0.16 -0.44 0.00 0.00 0.00 179.25 178.99 1rat h ASP 53 N 0.80 0.64 -0.01 0.00 3.32 -1.73 -1.07 116.42 118.37 1rat h ASP 53 Ca 0.47 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 1rat h ASP 53 Cb 0.54 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1rat h ASP 53 CO -0.30 0.60 -0.03 0.58 -1.72 0.00 0.00 179.24 178.37 1rat h VAL 54 N 0.69 1.53 -0.09 -1.35 2.07 -0.91 -3.18 116.25 115.02 1rat h VAL 54 Ca 0.16 -1.61 0.03 0.00 0.82 0.00 0.00 66.70 66.10 1rat h VAL 54 Cb 0.19 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1rat h VAL 54 CO -0.01 0.42 0.07 1.56 0.02 0.00 0.00 177.57 179.63 1rat h GLN 55 N -0.64 0.00 0.00 1.57 4.20 -0.46 -1.69 115.11 118.09 1rat h GLN 55 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rat h GLN 55 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1rat h GLN 55 CO 0.01 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 1rat h ALA 56 N 1.95 1.00 0.00 3.87 0.00 -1.17 -2.84 119.26 122.07 1rat h ALA 56 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1rat h ALA 56 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1rat h ALA 56 CO -0.00 0.00 -0.08 0.28 0.00 0.00 0.00 179.25 179.45 1rat h VAL 57 N 0.00 0.91 0.00 0.00 2.07 -1.36 -1.90 116.25 115.97 1rat h VAL 57 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1rat h VAL 57 Cb 0.44 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1rat h VAL 57 CO 0.00 0.08 0.01 0.00 0.02 0.00 0.00 177.57 177.68 1rat n SER 59 N -1.29 1.33 0.00 0.00 3.41 -0.71 -5.03 113.62 111.33 1rat n SER 59 Ca 0.00 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 1rat n SER 59 Cb 0.01 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1rat n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rat n GLN 60 N -0.64 3.14 -2.38 4.33 6.02 -0.07 -5.00 117.38 122.78 1rat n GLN 60 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 1rat n GLN 60 Cb 0.76 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.99 1rat n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rat s LYS 61 N 4.83 3.86 0.39 -1.09 2.47 -1.04 -4.86 119.74 124.30 1rat s LYS 61 Ca 0.00 1.25 -0.27 0.00 -1.56 0.00 0.00 55.97 55.39 1rat s LYS 61 Cb 0.00 -3.91 -0.09 0.00 -1.46 0.00 0.00 37.83 32.36 1rat s LYS 61 CO 0.00 -1.20 1.30 1.21 0.16 0.00 0.00 175.35 176.82 1rat s ASN 62 N 3.09 6.44 -0.16 1.43 3.84 -1.26 -0.58 114.94 127.75 1rat s ASN 62 Ca 0.58 2.64 -0.29 0.00 0.21 0.00 0.00 52.86 56.01 1rat s ASN 62 Cb -0.17 -2.64 0.10 0.00 -0.55 0.00 0.00 41.25 37.99 1rat s ASN 62 CO 0.25 -0.76 0.84 0.54 -2.79 0.00 0.00 177.10 175.18 1rat s VAL 63 N -1.24 0.00 0.10 -5.21 0.11 -0.42 -4.85 120.40 108.89 1rat s VAL 63 Ca 0.55 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.30 1rat s VAL 63 Cb -0.38 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.41 1rat s VAL 63 CO 0.49 0.00 1.07 0.00 -3.33 0.00 0.00 175.10 173.33 1rat s ALA 64 N -0.69 3.31 0.96 1.54 0.00 -1.26 -2.70 121.76 122.91 1rat s ALA 64 Ca -0.04 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.52 1rat s ALA 64 Cb -0.02 -3.35 0.17 0.00 0.00 0.00 0.00 23.12 19.92 1rat s ALA 64 CO 0.03 -0.22 1.10 0.00 0.00 0.00 0.00 175.76 176.67 1rat h LYS 66 N -1.93 0.13 0.00 0.00 1.57 -1.91 0.22 116.57 114.65 1rat h LYS 66 Ca -0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1rat h LYS 66 Cb 1.28 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1rat h LYS 66 CO 0.47 0.08 0.00 0.27 -0.57 0.00 0.00 179.45 179.71 1rat n ASN 67 N -5.29 0.00 0.00 0.86 6.94 -1.26 -4.89 115.26 111.62 1rat n ASN 67 Ca 0.12 -0.67 0.00 0.00 -0.02 0.00 0.00 54.58 54.00 1rat n ASN 67 Cb 0.42 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 1rat n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rat n GLY 68 N 0.30 3.23 3.67 4.83 0.00 0.78 -5.06 105.19 112.93 1rat n GLY 68 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1rat n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rat n GLN 69 N -1.24 1.45 -0.47 1.61 6.02 -1.26 -4.51 117.38 118.98 1rat n GLN 69 Ca 0.00 0.53 0.11 0.00 -0.01 0.00 0.00 57.00 57.63 1rat n GLN 69 Cb 0.00 -2.31 0.33 0.00 1.02 0.00 0.00 30.24 29.28 1rat n GLN 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1rat n THR 70 N -0.95 1.30 -1.32 5.09 -2.24 -1.26 0.15 114.28 115.05 1rat n THR 70 Ca 0.10 -1.04 -0.28 0.00 -2.27 0.00 0.00 64.05 60.56 1rat n THR 70 Cb 0.43 0.34 0.13 0.00 -2.10 0.00 0.00 70.33 69.13 1rat n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rat n ASN 71 N 1.42 5.62 -4.88 3.42 6.94 -1.26 -4.72 115.26 121.80 1rat n ASN 71 Ca 0.25 -3.71 -0.27 0.00 -0.02 0.00 0.00 54.58 50.82 1rat n ASN 71 Cb 0.72 -0.88 -0.04 0.00 -2.36 0.00 0.00 39.78 37.22 1rat n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rat s TYR 73 N -1.68 -0.22 -0.22 0.00 1.51 -0.01 -1.31 117.35 115.43 1rat s TYR 73 Ca 0.33 0.56 -0.10 0.00 -1.01 0.00 0.00 57.07 56.85 1rat s TYR 73 Cb -0.11 0.05 -0.05 0.00 -0.11 0.00 0.00 41.96 41.74 1rat s TYR 73 CO 0.26 -0.13 0.13 -1.14 -1.11 0.00 0.00 175.55 173.57 1rat s GLN 74 N 0.44 4.10 0.35 -0.62 0.74 0.25 -1.67 119.66 123.25 1rat s GLN 74 Ca -0.03 -0.26 -0.28 0.00 0.05 0.00 0.00 55.36 54.83 1rat s GLN 74 Cb -0.04 -3.45 -0.11 0.00 1.10 0.00 0.00 33.01 30.51 1rat s GLN 74 CO -0.02 0.18 1.40 -1.54 -0.55 0.00 0.00 175.29 174.76 1rat s SER 75 N 0.71 6.54 0.23 6.67 1.04 0.99 -2.50 113.70 127.38 1rat s SER 75 Ca 0.07 2.88 -0.06 0.00 0.48 0.00 0.00 55.95 59.32 1rat s SER 75 Cb -0.12 -2.66 0.21 0.00 0.10 0.00 0.00 66.02 63.55 1rat s SER 75 CO 0.01 -0.72 1.79 1.88 0.98 0.00 0.00 173.24 177.19 1rat h TYR 76 N 3.22 1.14 -2.28 5.02 0.05 -1.95 -3.43 116.97 118.74 1rat h TYR 76 Ca -0.50 -0.09 -0.49 0.00 0.05 0.00 0.00 58.73 57.70 1rat h TYR 76 Cb 1.23 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 38.61 1rat h TYR 76 CO 0.55 0.88 -0.47 -1.12 -1.05 0.00 0.00 178.16 176.94 1rat s SER 77 N -6.41 6.05 0.73 3.88 0.01 -1.26 -5.06 113.70 111.64 1rat s SER 77 Ca -0.12 -0.02 -0.11 0.00 1.31 0.00 0.00 55.95 57.02 1rat s SER 77 Cb 0.16 -1.72 0.03 0.00 0.21 0.00 0.00 66.02 64.70 1rat s SER 77 CO 0.83 -0.04 1.08 0.42 0.41 0.00 0.00 173.24 175.95 1rat s THR 78 N -1.97 3.61 0.01 1.44 -4.23 -1.26 -4.45 115.64 108.79 1rat s THR 78 Ca 0.34 0.54 -0.02 0.00 -1.18 0.00 0.00 61.69 61.36 1rat s THR 78 Cb -0.09 -3.13 -0.01 0.00 1.34 0.00 0.00 72.50 70.61 1rat s THR 78 CO 0.27 -0.67 0.03 -0.04 -0.54 0.00 0.00 174.62 173.67 1rat s MET 79 N -4.89 0.36 -0.04 3.99 -1.94 -0.45 -4.89 119.30 111.44 1rat s MET 79 Ca 0.60 -0.53 -0.30 0.00 -1.71 0.00 0.00 55.69 53.76 1rat s MET 79 Cb -0.16 0.14 -0.03 0.00 2.01 0.00 0.00 34.83 36.79 1rat s MET 79 CO 0.54 -0.07 1.02 0.45 -0.01 0.00 0.00 175.02 176.96 1rat s SER 80 N -1.40 7.28 0.09 3.03 0.15 -1.26 -1.53 113.70 120.06 1rat s SER 80 Ca -0.15 1.65 0.01 0.00 0.70 0.00 0.00 55.95 58.16 1rat s SER 80 Cb -0.09 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 1rat s SER 80 CO -0.00 -0.36 -0.05 0.27 1.20 0.00 0.00 173.24 174.29 1rat s ILE 81 N 1.45 0.53 -0.09 6.45 -5.25 0.25 0.22 121.20 124.75 1rat s ILE 81 Ca 0.52 -1.90 0.02 0.00 -0.99 0.00 0.00 60.65 58.30 1rat s ILE 81 Cb -0.21 -1.65 0.01 0.00 2.95 0.00 0.00 42.46 43.56 1rat s ILE 81 CO 0.24 -0.89 -0.16 -0.89 -1.79 0.00 0.00 174.94 171.45 1rat s THR 82 N -3.73 1.49 -0.17 8.37 2.01 0.62 -1.75 115.64 122.49 1rat s THR 82 Ca 0.11 -0.66 -0.14 0.00 0.31 0.00 0.00 61.69 61.31 1rat s THR 82 Cb 0.06 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 1rat s THR 82 CO -0.06 0.44 0.30 -0.62 -0.69 0.00 0.00 174.62 173.98 1rat s ASP 83 N 0.79 6.41 -0.11 3.53 -1.08 0.17 -0.57 116.67 125.81 1rat s ASP 83 Ca -0.11 0.48 0.03 0.00 -0.52 0.00 0.00 52.55 52.42 1rat s ASP 83 Cb -0.16 -2.18 -0.01 0.00 -1.46 0.00 0.00 42.92 39.11 1rat s ASP 83 CO 0.02 0.07 -0.20 0.00 0.52 0.00 0.00 175.17 175.58 1rat s ARG 85 N 0.28 0.61 0.47 0.00 0.52 -0.89 -1.43 118.95 118.50 1rat s ARG 85 Ca -0.14 -0.11 -0.23 0.00 -0.52 0.00 0.00 55.73 54.73 1rat s ARG 85 Cb -0.17 -0.64 -0.09 0.00 0.52 0.00 0.00 34.95 34.58 1rat s ARG 85 CO 0.07 -0.02 1.06 0.39 0.02 0.00 0.00 175.30 176.83 1rat n GLU 86 N 3.66 1.37 -2.38 3.54 1.02 -0.82 -0.32 120.64 126.72 1rat n GLU 86 Ca -0.22 0.50 -0.26 0.00 -0.02 0.00 0.00 57.16 57.16 1rat n GLU 86 Cb 0.53 -2.17 0.04 0.00 -0.02 0.00 0.00 31.44 29.82 1rat n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1rat s THR 87 N -1.32 3.31 0.56 2.62 -4.23 -0.35 -4.67 115.64 111.56 1rat s THR 87 Ca 0.66 -0.11 0.26 0.00 -1.18 0.00 0.00 61.69 61.33 1rat s THR 87 Cb -0.50 -3.33 0.33 0.00 1.34 0.00 0.00 72.50 70.34 1rat s THR 87 CO 0.54 -0.34 2.22 1.23 -0.54 0.00 0.00 174.62 177.74 1rat h GLY 88 N -0.24 0.00 -0.23 3.99 0.00 -1.94 -2.48 103.07 102.17 1rat h GLY 88 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1rat h GLY 88 CO 0.60 0.00 -0.12 1.44 0.00 0.00 0.00 176.54 178.46 1rat n SER 89 N -4.01 1.37 -4.68 0.19 7.64 -1.26 -4.91 113.62 107.96 1rat n SER 89 Ca -0.03 -1.26 -0.45 0.00 1.01 0.00 0.00 58.87 58.14 1rat n SER 89 Cb 0.09 0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.32 1rat n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1rat n SER 90 N -0.14 3.47 -3.51 6.43 2.88 -0.93 -4.90 113.62 116.92 1rat n SER 90 Ca 0.16 1.03 -0.05 0.00 -1.33 0.00 0.00 58.87 58.68 1rat n SER 90 Cb 0.36 -1.45 -0.07 0.00 -0.75 0.00 0.00 64.21 62.30 1rat n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1rat s LYS 91 N 2.06 0.41 0.25 -1.46 2.20 -0.75 -4.88 119.74 117.57 1rat s LYS 91 Ca 0.82 0.99 -0.30 0.00 -0.36 0.00 0.00 55.97 57.12 1rat s LYS 91 Cb -0.62 0.27 -0.14 0.00 -1.51 0.00 0.00 37.83 35.82 1rat s LYS 91 CO 0.40 -0.39 1.17 0.98 -0.36 0.00 0.00 175.35 177.15 1rat n TYR 92 N 5.40 1.57 1.83 4.03 9.36 -1.26 0.53 117.16 138.61 1rat n TYR 92 Ca -0.07 0.62 0.15 0.00 3.32 0.00 0.00 57.90 61.93 1rat n TYR 92 Cb 0.50 -2.32 0.89 0.00 -0.63 0.00 0.00 39.34 37.77 1rat n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rat n PRO 93 N 1.32 0.86 -2.41 2.98 -0.04 -1.26 -4.94 135.00 131.50 1rat n PRO 93 Ca 0.11 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 1rat n PRO 93 Cb 0.30 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1rat n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rat n ASN 94 N -1.06 5.18 -4.73 3.54 3.02 0.19 -4.97 115.26 116.42 1rat n ASN 94 Ca 0.21 -3.12 -0.42 0.00 -0.03 0.00 0.00 54.58 51.23 1rat n ASN 94 Cb 0.13 -1.47 -0.03 0.00 -0.61 0.00 0.00 39.78 37.80 1rat n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rat s ALA 96 N 0.62 0.25 0.04 0.00 0.00 -1.26 -4.93 121.76 116.48 1rat s ALA 96 Ca 0.63 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.36 1rat s ALA 96 Cb -0.39 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1rat s ALA 96 CO 0.35 0.02 -0.09 0.71 0.00 0.00 0.00 175.76 176.76 1rat s TYR 97 N -0.39 0.75 -0.17 0.00 1.51 -1.26 -1.21 117.35 116.58 1rat s TYR 97 Ca -0.02 -0.46 -0.19 0.00 -1.01 0.00 0.00 57.07 55.39 1rat s TYR 97 Cb -0.03 -0.44 -0.04 0.00 -0.11 0.00 0.00 41.96 41.34 1rat s TYR 97 CO -0.00 -0.06 0.52 0.21 -1.11 0.00 0.00 175.55 175.11 1rat s LYS 98 N -1.48 4.25 -0.21 -0.62 2.47 0.56 -4.59 119.74 120.13 1rat s LYS 98 Ca -0.08 0.46 -0.14 0.00 -1.56 0.00 0.00 55.97 54.65 1rat s LYS 98 Cb -0.09 -3.51 -0.04 0.00 -1.46 0.00 0.00 37.83 32.72 1rat s LYS 98 CO 0.01 -0.04 0.33 0.99 0.16 0.00 0.00 175.35 176.79 1rat s THR 99 N 1.27 5.25 -0.10 3.43 2.01 -1.26 -2.10 115.64 124.14 1rat s THR 99 Ca 0.26 0.55 -0.00 0.00 0.31 0.00 0.00 61.69 62.80 1rat s THR 99 Cb -0.15 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.72 1rat s THR 99 CO 0.10 0.29 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.38 1rat s THR 100 N 1.16 0.83 0.11 -0.82 2.01 -0.61 -4.98 115.64 113.34 1rat s THR 100 Ca 0.16 -0.18 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 1rat s THR 100 Cb -0.14 -0.88 -0.06 0.00 0.01 0.00 0.00 72.50 71.43 1rat s THR 100 CO 0.07 0.33 0.39 -1.58 -0.69 0.00 0.00 174.62 173.14 1rat s GLN 101 N 1.70 3.68 0.14 4.92 2.00 -1.26 0.44 119.66 131.28 1rat s GLN 101 Ca 0.03 0.04 -0.25 0.00 -2.00 0.00 0.00 55.36 53.18 1rat s GLN 101 Cb -0.13 -2.91 0.07 0.00 0.80 0.00 0.00 33.01 30.84 1rat s GLN 101 CO -0.07 0.51 0.95 0.00 -0.50 0.00 0.00 175.29 176.18 1rat s ALA 102 N -1.54 -1.67 -0.30 1.58 0.00 -0.72 -4.97 121.76 114.14 1rat s ALA 102 Ca 0.37 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.56 1rat s ALA 102 Cb -0.13 0.62 0.09 0.00 0.00 0.00 0.00 23.12 23.70 1rat s ALA 102 CO 0.21 -1.01 0.02 -0.80 0.00 0.00 0.00 175.76 174.18 1rat s ASN 103 N -2.90 4.36 0.20 0.00 -0.87 -1.26 -0.58 114.94 113.89 1rat s ASN 103 Ca 0.12 -1.74 -0.09 0.00 -1.57 0.00 0.00 52.86 49.58 1rat s ASN 103 Cb -0.01 -1.35 -0.01 0.00 -0.02 0.00 0.00 41.25 39.85 1rat s ASN 103 CO 0.01 -0.33 0.32 -1.59 -2.57 0.00 0.00 177.10 172.94 1rat s LYS 104 N 1.19 1.30 0.57 -0.60 -2.85 -0.58 -4.77 119.74 114.01 1rat s LYS 104 Ca 0.05 -1.29 -0.18 0.00 -1.00 0.00 0.00 55.97 53.54 1rat s LYS 104 Cb -0.19 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 1rat s LYS 104 CO -0.11 -0.49 1.11 -1.01 0.10 0.00 0.00 175.35 174.95 1rat s HIS 105 N -4.02 2.71 0.12 1.78 3.76 -1.26 -1.34 115.29 117.04 1rat s HIS 105 Ca 0.23 1.55 0.09 0.00 -0.15 0.00 0.00 55.06 56.78 1rat s HIS 105 Cb 0.03 -3.22 -0.04 0.00 1.11 0.00 0.00 32.58 30.46 1rat s HIS 105 CO 0.06 -1.51 -0.16 0.96 -0.85 0.00 0.00 174.74 173.24 1rat s ILE 106 N -1.99 2.98 -0.11 0.60 -4.36 -1.26 -0.18 121.20 116.87 1rat s ILE 106 Ca 0.70 -1.49 -0.01 0.00 -0.26 0.00 0.00 60.65 59.60 1rat s ILE 106 Cb -0.22 -2.39 0.03 0.00 1.25 0.00 0.00 42.46 41.13 1rat s ILE 106 CO 0.31 0.07 -0.07 -0.63 0.24 0.00 0.00 174.94 174.86 1rat s ILE 107 N -1.24 0.97 0.13 8.37 1.01 0.06 -0.01 121.20 130.49 1rat s ILE 107 Ca 0.20 -0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.64 1rat s ILE 107 Cb -0.10 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1rat s ILE 107 CO 0.11 0.33 -0.15 0.68 0.00 0.00 0.00 174.94 175.91 1rat s VAL 108 N 1.73 1.46 -0.07 2.92 -7.23 -0.67 0.03 120.40 118.57 1rat s VAL 108 Ca 0.05 -1.74 -0.16 0.00 -1.81 0.00 0.00 61.98 58.32 1rat s VAL 108 Cb -0.13 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 1rat s VAL 108 CO -0.08 -0.37 0.42 0.00 -0.31 0.00 0.00 175.10 174.76 1rat s ALA 109 N -2.03 3.60 0.18 1.32 0.00 -0.40 -0.83 121.76 123.59 1rat s ALA 109 Ca 0.10 -0.24 0.10 0.00 0.00 0.00 0.00 51.96 51.92 1rat s ALA 109 Cb -0.06 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 1rat s ALA 109 CO 0.04 0.24 -0.20 0.00 0.00 0.00 0.00 175.76 175.84 1rat s GLU 111 N -2.61 0.96 0.59 0.00 2.02 -0.54 -4.89 118.70 114.23 1rat s GLU 111 Ca 0.21 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.65 1rat s GLU 111 Cb -0.09 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.57 1rat s GLU 111 CO 0.11 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.45 1rat n GLY 112 N 0.19 -2.21 2.65 -1.39 0.00 -1.26 -2.06 105.19 101.11 1rat n GLY 112 Ca -0.17 -1.56 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 1rat n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rat s ASN 113 N -3.32 2.95 0.58 1.61 3.84 -1.26 -2.40 114.94 116.94 1rat s ASN 113 Ca 0.00 -0.92 -0.20 0.00 0.21 0.00 0.00 52.86 51.94 1rat s ASN 113 Cb 0.00 -0.45 -0.04 0.00 -0.55 0.00 0.00 41.25 40.22 1rat s ASN 113 CO 0.00 -0.36 1.32 -2.84 -2.79 0.00 0.00 177.10 172.43 1rat s PRO 114 N 1.98 2.96 -0.56 0.43 0.02 -1.26 -5.09 135.00 133.49 1rat s PRO 114 Ca 0.03 2.14 -0.26 0.00 0.02 0.00 0.00 61.00 62.93 1rat s PRO 114 Cb -0.16 -2.11 0.03 0.00 0.02 0.00 0.00 34.50 32.28 1rat s PRO 114 CO -0.16 -1.30 1.07 -0.47 -0.33 0.00 0.00 177.00 175.81 1rat s TYR 115 N -1.36 2.71 0.23 6.54 5.04 -1.01 -4.89 117.35 124.62 1rat s TYR 115 Ca 0.75 0.24 0.04 0.00 -2.44 0.00 0.00 57.07 55.66 1rat s TYR 115 Cb -0.38 -4.29 -0.05 0.00 0.35 0.00 0.00 41.96 37.58 1rat s TYR 115 CO 0.44 -1.45 -0.03 0.14 -1.34 0.00 0.00 175.55 173.31 1rat s VAL 116 N 4.44 1.19 0.45 3.14 -7.23 -0.87 -4.82 120.40 116.69 1rat s VAL 116 Ca 0.37 -2.06 -0.25 0.00 -1.81 0.00 0.00 61.98 58.23 1rat s VAL 116 Cb -0.10 -2.29 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 1rat s VAL 116 CO 0.23 -0.38 1.43 -2.65 -0.31 0.00 0.00 175.10 173.42 1rat n PRO 117 N -0.42 2.25 0.00 4.82 -0.02 -1.26 -1.47 135.00 138.90 1rat n PRO 117 Ca -0.06 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1rat n PRO 117 Cb 0.63 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1rat n PRO 117 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1rat n VAL 118 N -0.19 0.00 -3.67 -1.45 3.14 0.15 -4.51 118.33 111.80 1rat n VAL 118 Ca 0.05 -0.04 -0.14 0.00 -2.96 0.00 0.00 64.34 61.25 1rat n VAL 118 Cb 0.41 0.76 -0.08 0.00 -1.06 0.00 0.00 33.84 33.87 1rat n VAL 118 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1rat s HIS 119 N -0.12 -0.57 -0.36 1.45 5.65 -1.07 -4.66 115.29 115.60 1rat s HIS 119 Ca 0.00 1.30 -0.15 0.00 0.25 0.00 0.00 55.06 56.47 1rat s HIS 119 Cb 0.00 0.23 -0.00 0.00 -1.18 0.00 0.00 32.58 31.63 1rat s HIS 119 CO 0.00 -0.36 0.31 0.12 -0.65 0.00 0.00 174.74 174.17 1rat s PHE 120 N -0.12 3.22 -0.16 3.88 5.36 -1.26 -1.27 117.98 127.62 1rat s PHE 120 Ca -0.03 -0.24 -0.22 0.00 -0.96 0.00 0.00 56.93 55.48 1rat s PHE 120 Cb -0.03 -2.61 -0.23 0.00 -0.34 0.00 0.00 43.02 39.80 1rat s PHE 120 CO 0.03 -0.47 0.47 0.22 -1.46 0.00 0.00 175.22 174.01 1rat h ASP 121 N 8.54 0.12 -5.15 6.13 3.58 -0.74 -3.49 116.42 125.41 1rat h ASP 121 Ca -0.29 -0.75 0.17 0.00 0.42 0.00 0.00 57.03 56.57 1rat h ASP 121 Cb 1.14 -0.04 -0.10 0.00 1.72 0.00 0.00 39.33 42.05 1rat h ASP 121 CO 0.69 1.39 0.51 0.00 -2.88 0.00 0.00 179.24 178.95 1rat s ALA 122 N -2.36 -1.74 -0.06 -0.78 0.00 -1.02 -4.91 121.76 110.88 1rat s ALA 122 Ca -0.23 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.21 1rat s ALA 122 Cb 0.03 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 1rat s ALA 122 CO 0.67 -0.94 -0.24 -1.54 0.00 0.00 0.00 175.76 173.71 1rat s SER 123 N -2.81 3.01 0.00 0.00 1.04 -1.26 -0.76 113.70 112.92 1rat s SER 123 Ca 0.10 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1rat s SER 123 Cb -0.01 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.21 1rat s SER 123 CO -0.01 0.23 0.14 1.33 0.98 0.00 0.00 173.24 175.90