#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r29 s ILE 2 N 0.00 -0.00 -0.01 0.53 -1.09 -1.26 -4.97 121.20 114.39 2r29 s ILE 2 Ca 0.00 0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.44 2r29 s ILE 2 Cb 0.00 -0.79 0.01 0.00 -1.58 0.00 0.00 42.46 40.10 2r29 s ILE 2 CO 0.00 0.00 -0.03 -0.69 -1.23 0.00 0.00 174.94 172.99 2r29 s VAL 3 N 0.59 0.30 -0.07 2.92 1.01 -1.26 -4.99 120.40 118.90 2r29 s VAL 3 Ca -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 2r29 s VAL 3 Cb -0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 2r29 s VAL 3 CO -0.03 0.12 0.09 -1.48 0.00 0.00 0.00 175.10 173.80 2r29 s LEU 4 N 0.28 4.06 -0.45 3.92 0.05 -1.26 -0.36 118.68 124.92 2r29 s LEU 4 Ca -0.03 0.30 0.02 0.00 0.05 0.00 0.00 54.13 54.47 2r29 s LEU 4 Cb -0.06 -2.11 0.14 0.00 -2.05 0.00 0.00 46.19 42.11 2r29 s LEU 4 CO -0.01 0.35 0.27 0.28 -0.55 0.00 0.00 176.35 176.69 2r29 s THR 5 N -1.06 1.38 -0.10 5.48 -1.32 -1.19 -4.75 115.64 114.08 2r29 s THR 5 Ca 0.18 -2.67 -0.30 0.00 -1.21 0.00 0.00 61.69 57.69 2r29 s THR 5 Cb -0.12 -1.96 -0.01 0.00 -1.51 0.00 0.00 72.50 68.89 2r29 s THR 5 CO 0.08 -0.94 1.03 -1.58 -2.21 0.00 0.00 174.62 171.00 2r29 s GLN 6 N 0.21 4.41 -0.10 7.08 0.74 -1.25 -0.51 119.66 130.25 2r29 s GLN 6 Ca 0.19 1.42 0.07 0.00 0.05 0.00 0.00 55.36 57.10 2r29 s GLN 6 Cb -0.20 -3.55 -0.11 0.00 1.10 0.00 0.00 33.01 30.25 2r29 s GLN 6 CO -0.03 -0.34 0.01 0.45 -0.55 0.00 0.00 175.29 174.83 2r29 n SER 7 N 5.06 2.79 -4.75 6.67 2.88 -0.12 -4.80 113.62 121.34 2r29 n SER 7 Ca 0.09 -0.01 -0.41 0.00 -1.33 0.00 0.00 58.87 57.20 2r29 n SER 7 Cb 0.48 0.55 -0.01 0.00 -0.75 0.00 0.00 64.21 64.48 2r29 n SER 7 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2r29 s PRO 8 N -2.23 4.13 0.03 -1.46 0.02 -1.26 -4.74 135.00 129.50 2r29 s PRO 8 Ca -0.07 2.56 -0.17 0.00 0.02 0.00 0.00 61.00 63.34 2r29 s PRO 8 Cb 0.03 -3.02 -0.29 0.00 0.02 0.00 0.00 34.50 31.24 2r29 s PRO 8 CO 0.36 -0.60 1.08 0.00 -0.33 0.00 0.00 177.00 177.50 2r29 h ALA 9 N 4.55 -0.01 -0.88 -1.55 0.00 -1.89 -3.42 119.26 116.07 2r29 h ALA 9 Ca -0.48 -0.73 0.18 0.00 0.00 0.00 0.00 54.91 53.88 2r29 h ALA 9 Cb 1.22 0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.88 2r29 h ALA 9 CO 0.77 0.60 0.22 -1.54 0.00 0.00 0.00 179.25 179.30 2r29 s SER 10 N -7.28 -0.56 0.20 0.00 1.04 -1.26 -3.70 113.70 102.15 2r29 s SER 10 Ca -0.11 0.70 0.08 0.00 0.48 0.00 0.00 55.95 57.11 2r29 s SER 10 Cb 0.05 1.61 -0.05 0.00 0.10 0.00 0.00 66.02 67.73 2r29 s SER 10 CO 0.91 -0.11 -0.15 -1.48 0.98 0.00 0.00 173.24 173.39 2r29 s LEU 11 N 2.49 2.54 -0.29 2.42 2.34 -1.20 -4.98 118.68 122.01 2r29 s LEU 11 Ca -0.02 -1.00 0.00 0.00 0.06 0.00 0.00 54.13 53.18 2r29 s LEU 11 Cb -0.06 -0.73 0.06 0.00 -0.56 0.00 0.00 46.19 44.89 2r29 s LEU 11 CO -0.17 -0.13 -0.03 0.00 -1.06 0.00 0.00 176.35 174.95 2r29 s ALA 12 N -2.79 2.73 0.54 1.48 0.00 -1.25 -0.21 121.76 122.25 2r29 s ALA 12 Ca 0.22 -1.82 -0.01 0.00 0.00 0.00 0.00 51.96 50.35 2r29 s ALA 12 Cb -0.02 -1.82 0.02 0.00 0.00 0.00 0.00 23.12 21.30 2r29 s ALA 12 CO 0.07 -1.28 0.79 0.08 0.00 0.00 0.00 175.76 175.42 2r29 s VAL 13 N 1.18 3.29 0.00 0.00 1.01 0.30 -4.89 120.40 121.28 2r29 s VAL 13 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2r29 s VAL 13 Cb -0.20 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2r29 s VAL 13 CO -0.03 -0.21 0.00 -0.24 0.00 0.00 0.00 175.10 174.62 2r29 n SER 14 N -2.35 0.00 -0.67 3.32 2.88 -1.26 -0.86 113.62 114.67 2r29 n SER 14 Ca 0.05 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.64 2r29 n SER 14 Cb 0.59 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.14 2r29 n SER 14 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2r29 n LEU 15 N 0.00 1.50 -0.26 2.46 0.00 -1.26 -3.75 117.00 115.68 2r29 n LEU 15 Ca 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 56.01 53.53 2r29 n LEU 15 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 43.42 43.18 2r29 n LEU 15 CO 0.00 0.71 0.13 0.61 0.00 0.00 0.00 177.39 178.84 2r29 n GLY 16 N -0.50 0.99 3.27 -3.96 0.00 -0.94 -4.48 105.19 99.56 2r29 n GLY 16 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 2r29 n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r29 s GLN 17 N 0.00 1.36 -0.65 1.61 -1.52 -1.18 -4.61 119.66 114.67 2r29 s GLN 17 Ca 0.00 -1.74 -0.28 0.00 -1.95 0.00 0.00 55.36 51.39 2r29 s GLN 17 Cb 0.00 0.03 -0.12 0.00 -0.22 0.00 0.00 33.01 32.70 2r29 s GLN 17 CO 0.00 -0.38 2.50 0.54 -0.25 0.00 0.00 175.29 177.70 2r29 n ARG 18 N -0.40 0.70 -2.67 2.91 1.74 -1.16 -3.61 116.66 114.16 2r29 n ARG 18 Ca 0.01 0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.69 2r29 n ARG 18 Cb 0.66 -2.73 -0.02 0.00 -1.02 0.00 0.00 32.46 29.34 2r29 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2r29 s ALA 19 N 10.82 3.59 -0.17 7.54 0.00 0.96 -4.89 121.76 139.61 2r29 s ALA 19 Ca 1.12 0.24 0.01 0.00 0.00 0.00 0.00 51.96 53.33 2r29 s ALA 19 Cb -0.58 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.05 2r29 s ALA 19 CO 0.35 -0.89 -0.20 0.99 0.00 0.00 0.00 175.76 176.01 2r29 s THR 20 N 2.79 2.10 0.15 0.00 2.01 -1.26 -0.74 115.64 120.68 2r29 s THR 20 Ca 0.45 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.60 2r29 s THR 20 Cb -0.16 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 2r29 s THR 20 CO 0.10 0.54 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.76 2r29 s ILE 21 N 1.22 1.76 0.02 1.82 1.09 0.20 -4.87 121.20 122.44 2r29 s ILE 21 Ca 0.03 -1.85 -0.02 0.00 -1.10 0.00 0.00 60.65 57.71 2r29 s ILE 21 Cb -0.13 -1.78 -0.02 0.00 -1.06 0.00 0.00 42.46 39.47 2r29 s ILE 21 CO -0.11 -0.29 0.01 -0.44 -0.10 0.00 0.00 174.94 174.01 2r29 s SER 22 N -2.55 0.21 -0.04 3.58 0.01 -1.26 0.12 113.70 113.77 2r29 s SER 22 Ca 0.14 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.91 2r29 s SER 22 Cb -0.06 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.33 2r29 s SER 22 CO 0.06 -0.35 0.02 0.00 0.41 0.00 0.00 173.24 173.38 2r29 s ARG 24 N 1.62 2.23 1.01 0.00 3.52 0.34 -1.17 118.95 126.48 2r29 s ARG 24 Ca -0.01 -3.01 -0.15 0.00 -0.13 0.00 0.00 55.73 52.42 2r29 s ARG 24 Cb -0.13 -3.36 0.03 0.00 -1.56 0.00 0.00 34.95 29.93 2r29 s ARG 24 CO -0.03 -1.21 0.07 0.00 -0.81 0.00 0.00 175.30 173.33 2r29 n ALA 25 N 2.50 -3.50 -0.11 6.12 0.00 -1.20 -3.19 120.51 121.13 2r29 n ALA 25 Ca 0.13 -0.84 -0.19 0.00 0.00 0.00 0.00 53.44 52.54 2r29 n ALA 25 Cb 0.34 -1.60 -0.07 0.00 0.00 0.00 0.00 19.45 18.11 2r29 n ALA 25 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2r29 n SER 26 N -0.69 1.90 -4.98 0.00 3.41 0.52 -4.81 113.62 108.98 2r29 n SER 26 Ca 0.04 0.41 -0.20 0.00 -0.26 0.00 0.00 58.87 58.86 2r29 n SER 26 Cb 0.57 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2r29 n SER 26 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2r29 s GLU 27 N -2.51 3.06 0.35 4.33 8.01 -1.26 -5.02 118.70 125.65 2r29 s GLU 27 Ca -0.30 -0.87 -0.27 0.00 0.01 0.00 0.00 54.97 53.54 2r29 s GLU 27 Cb 0.08 -2.73 -0.09 0.00 -4.31 0.00 0.00 34.13 27.07 2r29 s GLU 27 CO 0.45 -0.08 1.12 -1.12 0.01 0.00 0.00 175.26 175.65 2r29 s SER 28 N -4.21 6.90 -0.02 -0.19 0.01 -1.26 -4.81 113.70 110.12 2r29 s SER 28 Ca 0.47 2.26 0.10 0.00 1.31 0.00 0.00 55.95 60.10 2r29 s SER 28 Cb -0.10 -2.61 0.30 0.00 0.21 0.00 0.00 66.02 63.81 2r29 s SER 28 CO 0.33 -0.40 1.24 1.33 0.41 0.00 0.00 173.24 176.15 2r29 n VAL 29 N 0.54 1.16 -2.66 3.43 0.24 0.17 -4.85 118.33 116.37 2r29 n VAL 29 Ca 0.02 -1.12 -0.42 0.00 -2.04 0.00 0.00 64.34 60.78 2r29 n VAL 29 Cb 0.46 0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 2r29 n VAL 29 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2r29 s VAL 30 N -1.24 4.07 0.00 3.34 1.01 -1.19 -0.35 120.40 126.04 2r29 s VAL 30 Ca 0.23 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2r29 s VAL 30 Cb 0.13 -4.72 0.00 0.00 0.00 0.00 0.00 36.38 31.80 2r29 s VAL 30 CO 0.13 -1.39 0.00 -1.14 0.00 0.00 0.00 175.10 172.70 2r29 n ARG 31 N 8.34 0.00 -0.77 2.72 3.00 -0.47 -4.62 116.66 124.86 2r29 n ARG 31 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.82 2r29 n ARG 31 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.84 2r29 n ARG 31 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2r29 n TYR 32 N 0.00 0.00 0.00 -0.14 4.01 -1.26 -4.49 117.16 115.28 2r29 n TYR 32 Ca 0.00 -1.21 0.00 0.00 -0.16 0.00 0.00 57.90 56.53 2r29 n TYR 32 Cb 0.00 -1.18 0.00 0.00 -0.31 0.00 0.00 39.34 37.85 2r29 n TYR 32 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2r29 n GLY 33 N 2.26 2.88 3.64 2.72 0.00 -1.26 -4.96 105.19 110.47 2r29 n GLY 33 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 2r29 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2r29 s ASN 34 N -2.49 5.52 0.08 1.61 0.02 -1.26 -5.03 114.94 113.39 2r29 s ASN 34 Ca 0.00 0.09 -0.30 0.00 -1.02 0.00 0.00 52.86 51.62 2r29 s ASN 34 Cb 0.00 -1.89 -0.05 0.00 0.02 0.00 0.00 41.25 39.33 2r29 s ASN 34 CO 0.00 0.21 1.07 -0.94 0.02 0.00 0.00 177.10 177.46 2r29 s SER 35 N 0.13 7.29 -1.11 -1.22 1.04 -1.26 -1.37 113.70 117.20 2r29 s SER 35 Ca 0.04 1.88 -0.03 0.00 0.48 0.00 0.00 55.95 58.32 2r29 s SER 35 Cb -0.12 -2.58 0.28 0.00 0.10 0.00 0.00 66.02 63.69 2r29 s SER 35 CO 0.01 -0.27 1.78 0.49 0.98 0.00 0.00 173.24 176.23 2r29 n PHE 36 N 3.36 2.57 -3.82 5.02 3.01 0.53 -3.71 117.46 124.41 2r29 n PHE 36 Ca 0.05 -2.61 -0.36 0.00 1.01 0.00 0.00 57.45 55.54 2r29 n PHE 36 Cb 0.48 -1.36 -0.13 0.00 -0.01 0.00 0.00 39.48 38.46 2r29 n PHE 36 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 2r29 s MET 37 N -3.00 3.18 0.21 -1.08 1.75 -1.26 -3.27 119.30 115.83 2r29 s MET 37 Ca 0.38 -0.78 0.10 0.00 -1.25 0.00 0.00 55.69 54.14 2r29 s MET 37 Cb 0.13 -3.23 -0.04 0.00 2.84 0.00 0.00 34.83 34.53 2r29 s MET 37 CO -0.03 -0.35 -0.10 -1.01 -0.65 0.00 0.00 175.02 172.88 2r29 s HIS 38 N 1.48 2.58 0.24 4.11 0.09 -0.44 -2.26 115.29 121.09 2r29 s HIS 38 Ca 0.03 -0.25 0.11 0.00 -0.00 0.00 0.00 55.06 54.96 2r29 s HIS 38 Cb -0.16 -1.22 -0.05 0.00 -0.00 0.00 0.00 32.58 31.15 2r29 s HIS 38 CO 0.00 0.56 -0.17 -1.58 -0.00 0.00 0.00 174.74 173.55 2r29 s TRP 39 N -1.92 2.39 0.09 1.40 0.52 -0.54 -0.64 118.94 120.25 2r29 s TRP 39 Ca 0.26 -0.31 0.00 0.00 0.02 0.00 0.00 56.10 56.08 2r29 s TRP 39 Cb -0.08 -1.09 -0.04 0.00 -1.15 0.00 0.00 33.47 31.11 2r29 s TRP 39 CO 0.16 0.62 -0.04 0.71 0.02 0.00 0.00 176.95 178.43 2r29 s TYR 40 N -2.17 0.78 -0.42 -1.98 1.51 -0.75 -1.65 117.35 112.67 2r29 s TYR 40 Ca 0.27 -1.01 0.02 0.00 -1.01 0.00 0.00 57.07 55.34 2r29 s TYR 40 Cb -0.06 -0.48 0.15 0.00 -0.11 0.00 0.00 41.96 41.46 2r29 s TYR 40 CO 0.14 -0.28 0.29 -1.14 -1.11 0.00 0.00 175.55 173.46 2r29 s GLN 41 N -3.89 0.97 -0.12 -0.62 0.74 0.25 -0.39 119.66 116.60 2r29 s GLN 41 Ca 0.12 -1.93 -0.18 0.00 0.05 0.00 0.00 55.36 53.42 2r29 s GLN 41 Cb 0.07 -1.69 -0.04 0.00 1.10 0.00 0.00 33.01 32.44 2r29 s GLN 41 CO -0.05 -1.28 0.47 -1.14 -0.55 0.00 0.00 175.29 172.73 2r29 s GLN 42 N 0.32 4.32 0.55 1.67 0.74 -0.94 -3.19 119.66 123.13 2r29 s GLN 42 Ca 0.25 0.43 0.08 0.00 0.05 0.00 0.00 55.36 56.17 2r29 s GLN 42 Cb -0.10 -3.43 0.06 0.00 1.10 0.00 0.00 33.01 30.64 2r29 s GLN 42 CO -0.09 0.18 0.61 0.15 -0.55 0.00 0.00 175.29 175.59 2r29 s LYS 43 N 0.55 2.32 -0.03 1.67 1.02 -1.26 -2.22 119.74 121.79 2r29 s LYS 43 Ca 0.25 -1.77 -0.32 0.00 0.02 0.00 0.00 55.97 54.16 2r29 s LYS 43 Cb -0.15 -2.42 -0.10 0.00 -0.52 0.00 0.00 37.83 34.64 2r29 s LYS 43 CO 0.10 -0.71 1.96 -2.30 -0.92 0.00 0.00 175.35 173.48 2r29 n PRO 44 N -2.01 2.56 -0.97 -1.68 -0.02 -1.26 -2.68 135.00 128.94 2r29 n PRO 44 Ca 0.08 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2r29 n PRO 44 Cb 0.63 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 2r29 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r29 n GLY 45 N 4.58 0.30 3.63 -1.23 0.00 -1.26 -5.01 105.19 106.21 2r29 n GLY 45 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 2r29 n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r29 s GLN 46 N -0.87 1.99 0.67 1.61 -0.21 -1.09 -5.14 119.66 116.61 2r29 s GLN 46 Ca 0.00 -2.04 -0.11 0.00 0.02 0.00 0.00 55.36 53.23 2r29 s GLN 46 Cb 0.00 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.31 2r29 s GLN 46 CO 0.00 -0.03 1.06 -2.14 -2.12 0.00 0.00 175.29 172.05 2r29 s PRO 47 N -3.73 3.01 0.72 2.91 0.02 -1.26 -4.56 135.00 132.12 2r29 s PRO 47 Ca 0.36 0.45 -0.14 0.00 0.02 0.00 0.00 61.00 61.69 2r29 s PRO 47 Cb 0.08 -2.07 0.03 0.00 0.02 0.00 0.00 34.50 32.57 2r29 s PRO 47 CO 0.19 -0.90 1.13 -2.14 -0.33 0.00 0.00 177.00 174.95 2r29 s PRO 48 N -5.27 2.36 -0.10 5.54 0.02 -1.26 -4.51 135.00 131.77 2r29 s PRO 48 Ca 0.57 1.46 0.02 0.00 0.02 0.00 0.00 61.00 63.06 2r29 s PRO 48 Cb -0.11 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.53 2r29 s PRO 48 CO 0.51 -1.61 -0.16 0.21 -0.33 0.00 0.00 177.00 175.63 2r29 s LYS 49 N -4.26 2.28 -0.28 5.54 2.20 -1.19 -4.86 119.74 119.17 2r29 s LYS 49 Ca 0.68 -0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 55.41 2r29 s LYS 49 Cb -0.22 -1.89 -0.01 0.00 -1.51 0.00 0.00 37.83 34.19 2r29 s LYS 49 CO 0.47 -0.02 1.48 -1.17 -0.36 0.00 0.00 175.35 175.75 2r29 s LEU 50 N 0.86 3.84 0.00 5.43 2.96 -1.26 0.88 118.68 131.39 2r29 s LEU 50 Ca -0.09 1.37 0.00 0.00 -0.22 0.00 0.00 54.13 55.18 2r29 s LEU 50 Cb -0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.00 2r29 s LEU 50 CO 0.00 -1.23 0.00 0.18 -1.32 0.00 0.00 176.35 173.99 2r29 n LEU 51 N 8.25 0.39 -4.38 -0.68 7.99 -0.66 -4.82 117.00 123.09 2r29 n LEU 51 Ca 0.17 0.28 -0.34 0.00 -0.01 0.00 0.00 56.01 56.11 2r29 n LEU 51 Cb 0.46 -0.41 -0.14 0.00 -0.11 0.00 0.00 43.42 43.23 2r29 n LEU 51 CO 0.65 -0.41 -0.39 -0.63 -1.51 0.00 0.00 177.39 175.10 2r29 s ILE 52 N -0.81 3.47 0.00 -0.08 -1.09 -1.26 -2.82 121.20 118.60 2r29 s ILE 52 Ca 0.00 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 2r29 s ILE 52 Cb 0.00 -2.54 0.00 0.00 -1.58 0.00 0.00 42.46 38.34 2r29 s ILE 52 CO 0.00 0.46 0.00 0.00 -1.23 0.00 0.00 174.94 174.17 2r29 n TYR 53 N 4.15 0.00 -2.54 3.97 4.11 -1.18 -1.47 117.16 124.21 2r29 n TYR 53 Ca -0.18 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.36 2r29 n TYR 53 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.82 2r29 n TYR 53 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2r29 s ARG 54 N 0.00 4.10 0.23 -3.48 0.52 -1.26 -3.22 118.95 115.84 2r29 s ARG 54 Ca 0.00 1.49 0.07 0.00 -0.52 0.00 0.00 55.73 56.77 2r29 s ARG 54 Cb 0.00 -2.46 0.24 0.00 0.52 0.00 0.00 34.95 33.25 2r29 s ARG 54 CO 0.00 -0.19 0.45 0.00 0.02 0.00 0.00 175.30 175.58 2r29 n ALA 55 N -0.23 0.27 0.00 2.13 0.00 -0.96 -2.04 120.51 119.68 2r29 n ALA 55 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2r29 n ALA 55 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2r29 n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2r29 n SER 56 N -1.79 0.76 -4.73 0.00 3.41 -1.26 -2.85 113.62 107.15 2r29 n SER 56 Ca 0.06 -0.12 -0.41 0.00 -0.26 0.00 0.00 58.87 58.15 2r29 n SER 56 Cb 0.52 0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 64.81 2r29 n SER 56 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2r29 s SER 57 N -0.54 7.23 -0.07 4.04 1.04 -0.87 -3.84 113.70 120.69 2r29 s SER 57 Ca 0.00 2.09 -0.17 0.00 0.48 0.00 0.00 55.95 58.35 2r29 s SER 57 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 2r29 s SER 57 CO 0.00 -0.27 0.45 -0.76 0.98 0.00 0.00 173.24 173.64 2r29 s LEU 58 N -0.15 4.35 1.07 2.42 2.01 -1.26 -3.07 118.68 124.04 2r29 s LEU 58 Ca 0.51 0.86 -0.17 0.00 0.01 0.00 0.00 54.13 55.34 2r29 s LEU 58 Cb -0.29 -2.65 0.11 0.00 0.01 0.00 0.00 46.19 43.37 2r29 s LEU 58 CO 0.34 0.13 0.02 -0.62 1.01 0.00 0.00 176.35 177.22 2r29 n GLU 59 N 2.98 -1.83 0.00 1.70 -0.58 -1.13 -4.93 120.64 116.85 2r29 n GLU 59 Ca -0.10 -0.53 0.00 0.00 -0.42 0.00 0.00 57.16 56.11 2r29 n GLU 59 Cb 0.52 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 2r29 n GLU 59 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2r29 n SER 60 N -1.11 0.00 -3.40 1.62 2.88 -1.26 -4.06 113.62 108.29 2r29 n SER 60 Ca 0.03 0.83 -0.27 0.00 -1.33 0.00 0.00 58.87 58.13 2r29 n SER 60 Cb 0.51 -0.36 -0.10 0.00 -0.75 0.00 0.00 64.21 63.52 2r29 n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r29 n GLY 61 N -0.99 2.39 3.09 0.46 0.00 -1.26 -5.10 105.19 103.77 2r29 n GLY 61 Ca 0.00 -1.45 -0.25 0.00 0.00 0.00 0.00 46.02 44.32 2r29 n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r29 s ILE 62 N -0.24 1.31 0.11 -0.61 1.01 -1.26 -5.10 121.20 116.43 2r29 s ILE 62 Ca 0.33 -0.62 -0.34 0.00 0.00 0.00 0.00 60.65 60.02 2r29 s ILE 62 Cb 0.05 -1.15 -0.18 0.00 0.01 0.00 0.00 42.46 41.19 2r29 s ILE 62 CO -0.18 0.39 0.82 -0.81 0.00 0.00 0.00 174.94 175.15 2r29 n PRO 63 N 3.40 0.12 -0.23 2.79 -0.04 -1.26 -4.87 135.00 134.92 2r29 n PRO 63 Ca -0.20 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 2r29 n PRO 63 Cb 0.53 -1.31 -0.09 0.00 -0.04 0.00 0.00 33.50 32.59 2r29 n PRO 63 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2r29 h THR 64 N 2.02 0.00 -2.14 0.52 1.35 -2.02 -3.34 112.91 109.30 2r29 h THR 64 Ca -0.39 0.00 -0.54 0.00 -0.55 0.00 0.00 66.41 64.93 2r29 h THR 64 Cb 1.43 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 67.77 2r29 h THR 64 CO 0.62 0.00 1.14 -0.13 -0.25 0.00 0.00 175.52 176.90 2r29 s ARG 65 N -5.32 3.16 -0.30 4.72 1.81 -1.26 -4.50 118.95 117.25 2r29 s ARG 65 Ca -0.12 -0.24 -0.11 0.00 -1.72 0.00 0.00 55.73 53.54 2r29 s ARG 65 Cb 0.08 -4.35 0.18 0.00 -0.45 0.00 0.00 34.95 30.41 2r29 s ARG 65 CO 0.55 -2.25 1.00 -0.06 -0.68 0.00 0.00 175.30 173.86 2r29 s PHE 66 N 6.14 -0.65 0.08 -0.53 0.08 -1.17 -4.26 117.98 117.66 2r29 s PHE 66 Ca 0.41 0.64 -0.18 0.00 0.12 0.00 0.00 56.93 57.92 2r29 s PHE 66 Cb -0.08 0.21 0.04 0.00 -0.57 0.00 0.00 43.02 42.63 2r29 s PHE 66 CO 0.13 -0.36 0.44 -1.54 -0.10 0.00 0.00 175.22 173.78 2r29 s SER 67 N 2.94 -0.31 0.25 1.36 1.04 -1.03 -4.85 113.70 113.11 2r29 s SER 67 Ca 0.04 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.41 2r29 s SER 67 Cb -0.10 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 2r29 s SER 67 CO -0.13 -0.76 0.41 -0.83 0.98 0.00 0.00 173.24 172.91 2r29 s GLY 68 N -2.34 1.40 -0.21 7.32 0.00 -1.19 -2.79 107.32 109.51 2r29 s GLY 68 Ca -0.02 -1.05 -0.08 0.00 0.00 0.00 0.00 44.72 43.57 2r29 s GLY 68 CO -0.06 -1.03 0.45 -0.45 0.00 0.00 0.00 173.10 172.00 2r29 s SER 69 N -3.78 -0.42 0.00 1.64 0.15 -1.08 -4.55 113.70 105.66 2r29 s SER 69 Ca 0.36 1.06 0.00 0.00 0.70 0.00 0.00 55.95 58.07 2r29 s SER 69 Cb -0.10 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 2r29 s SER 69 CO 0.31 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2r29 n GLY 70 N 5.16 1.28 0.00 9.45 0.00 -1.26 -1.29 105.19 118.53 2r29 n GLY 70 Ca -0.12 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2r29 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2r29 n SER 71 N 0.00 0.66 0.29 1.61 3.41 0.05 -4.98 113.62 114.65 2r29 n SER 71 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 2r29 n SER 71 Cb 0.00 0.00 0.86 0.00 -0.26 0.00 0.00 64.21 64.81 2r29 n SER 71 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2r29 h ARG 72 N 0.00 0.00 0.00 4.33 2.43 -2.00 -3.35 114.38 115.79 2r29 h ARG 72 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2r29 h ARG 72 Cb 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.42 2r29 h ARG 72 CO 0.00 0.05 -0.28 2.41 -1.51 0.00 0.00 179.97 180.64 2r29 n THR 73 N -3.64 0.00 -3.60 0.20 -1.04 -1.26 0.41 114.28 105.35 2r29 n THR 73 Ca -0.02 -0.13 -0.07 0.00 -2.04 0.00 0.00 64.05 61.79 2r29 n THR 73 Cb 0.16 0.56 -0.08 0.00 -1.82 0.00 0.00 70.33 69.14 2r29 n THR 73 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2r29 s ASP 74 N -0.99 -0.35 0.00 8.00 -1.08 -1.26 -3.26 116.67 117.73 2r29 s ASP 74 Ca 0.01 0.96 0.00 0.00 -0.52 0.00 0.00 52.55 53.01 2r29 s ASP 74 Cb 0.06 1.48 0.00 0.00 -1.46 0.00 0.00 42.92 42.99 2r29 s ASP 74 CO -0.02 -0.24 0.00 0.49 0.52 0.00 0.00 175.17 175.92 2r29 n PHE 75 N 5.40 0.00 0.00 -5.34 3.72 -0.32 -0.77 117.46 120.15 2r29 n PHE 75 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2r29 n PHE 75 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2r29 n PHE 75 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2r29 n THR 76 N 0.00 0.00 -3.96 4.37 5.66 -0.41 -3.30 114.28 116.63 2r29 n THR 76 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 2r29 n THR 76 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 2r29 n THR 76 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2r29 s LEU 77 N 0.00 4.19 0.02 1.09 2.96 0.12 -2.62 118.68 124.43 2r29 s LEU 77 Ca 0.00 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 2r29 s LEU 77 Cb 0.00 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 2r29 s LEU 77 CO 0.00 0.20 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.30 2r29 s THR 78 N -1.41 0.22 -0.22 3.68 2.01 -1.12 -0.63 115.64 118.17 2r29 s THR 78 Ca 0.31 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 2r29 s THR 78 Cb -0.13 -0.31 0.10 0.00 0.01 0.00 0.00 72.50 72.17 2r29 s THR 78 CO 0.23 -0.35 0.24 -0.63 -0.69 0.00 0.00 174.62 173.42 2r29 s ILE 79 N -1.12 -0.35 0.00 1.82 1.01 0.08 -2.46 121.20 120.18 2r29 s ILE 79 Ca -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.37 2r29 s ILE 79 Cb -0.08 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.66 2r29 s ILE 79 CO -0.00 -0.24 0.00 -3.20 0.00 0.00 0.00 174.94 171.49 2r29 n ASN 80 N 5.32 0.00 -4.49 3.58 2.85 -1.26 0.32 115.26 121.58 2r29 n ASN 80 Ca -0.05 0.30 -0.19 0.00 -0.11 0.00 0.00 54.58 54.53 2r29 n ASN 80 Cb 0.49 -0.36 -0.11 0.00 1.24 0.00 0.00 39.78 41.04 2r29 n ASN 80 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2r29 n PRO 81 N -1.68 0.31 -2.14 1.20 -0.02 -1.26 -3.01 135.00 128.39 2r29 n PRO 81 Ca 0.00 -1.76 -0.43 0.00 -2.02 0.00 0.00 63.50 59.29 2r29 n PRO 81 Cb 0.00 -3.81 -0.03 0.00 -0.02 0.00 0.00 33.50 29.64 2r29 n PRO 81 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2r29 s VAL 82 N 15.78 3.79 0.42 -1.45 1.01 -1.24 -4.93 120.40 133.78 2r29 s VAL 82 Ca 0.79 0.93 0.05 0.00 0.00 0.00 0.00 61.98 63.75 2r29 s VAL 82 Cb -0.03 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 2r29 s VAL 82 CO 0.19 -0.16 0.02 -1.61 0.00 0.00 0.00 175.10 173.55 2r29 s GLU 83 N 4.12 1.97 0.00 2.72 2.02 -1.26 -2.21 118.70 126.05 2r29 s GLU 83 Ca 0.68 -2.16 0.00 0.00 0.02 0.00 0.00 54.97 53.52 2r29 s GLU 83 Cb -0.28 -1.42 0.00 0.00 0.10 0.00 0.00 34.13 32.53 2r29 s GLU 83 CO 0.26 -0.18 0.23 0.00 0.02 0.00 0.00 175.26 175.59 2r29 n ALA 84 N -0.99 1.63 -0.05 5.21 0.00 -1.26 -2.32 120.51 122.72 2r29 n ALA 84 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 2r29 n ALA 84 Cb 0.67 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 2r29 n ALA 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2r29 n ASP 85 N 0.43 3.09 -2.01 0.00 8.00 -1.26 -4.82 116.55 119.97 2r29 n ASP 85 Ca 0.00 -0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.36 2r29 n ASP 85 Cb 0.11 0.19 -0.16 0.00 -0.02 0.00 0.00 41.12 41.25 2r29 n ASP 85 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2r29 n ASP 86 N -2.60 4.95 -4.36 -2.24 8.00 -0.98 -4.86 116.55 114.45 2r29 n ASP 86 Ca -0.17 -2.42 -0.46 0.00 0.71 0.00 0.00 54.79 52.46 2r29 n ASP 86 Cb 0.73 -1.33 -0.03 0.00 -0.02 0.00 0.00 41.12 40.47 2r29 n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2r29 s VAL 87 N 1.08 5.21 0.26 2.53 1.01 -1.26 -4.84 120.40 124.39 2r29 s VAL 87 Ca 0.61 -1.83 -0.21 0.00 0.00 0.00 0.00 61.98 60.55 2r29 s VAL 87 Cb 0.29 -4.51 0.03 0.00 0.00 0.00 0.00 36.38 32.19 2r29 s VAL 87 CO 0.00 -1.12 0.78 0.00 0.00 0.00 0.00 175.10 174.76 2r29 s ALA 88 N 1.42 -1.26 0.04 5.51 0.00 -1.26 -4.74 121.76 121.47 2r29 s ALA 88 Ca 0.17 -0.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 2r29 s ALA 88 Cb -0.15 0.79 -0.06 0.00 0.00 0.00 0.00 23.12 23.70 2r29 s ALA 88 CO -0.04 -1.04 0.58 0.95 0.00 0.00 0.00 175.76 176.21 2r29 s THR 89 N -3.60 4.81 -0.05 0.00 -4.23 -0.94 -1.39 115.64 110.24 2r29 s THR 89 Ca 0.12 1.23 -0.01 0.00 -1.18 0.00 0.00 61.69 61.84 2r29 s THR 89 Cb -0.05 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 2r29 s THR 89 CO 0.07 0.50 0.05 -0.31 -0.54 0.00 0.00 174.62 174.38 2r29 s TYR 90 N -0.71 3.25 0.40 3.99 1.51 0.42 -2.21 117.35 124.01 2r29 s TYR 90 Ca 0.30 0.22 0.08 0.00 -1.01 0.00 0.00 57.07 56.66 2r29 s TYR 90 Cb -0.19 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 2r29 s TYR 90 CO 0.18 0.53 0.24 0.71 -1.11 0.00 0.00 175.55 176.10 2r29 s TYR 91 N -1.05 2.66 -0.09 2.71 1.51 0.47 -2.35 117.35 121.21 2r29 s TYR 91 Ca 0.18 -0.52 -0.04 0.00 -1.01 0.00 0.00 57.07 55.68 2r29 s TYR 91 Cb -0.12 -1.98 0.05 0.00 -0.11 0.00 0.00 41.96 39.80 2r29 s TYR 91 CO 0.08 0.11 0.18 0.00 -1.11 0.00 0.00 175.55 174.81 2r29 s GLN 93 N 1.81 0.46 0.11 0.00 0.74 0.19 0.14 119.66 123.11 2r29 s GLN 93 Ca -0.03 -0.74 0.05 0.00 0.05 0.00 0.00 55.36 54.69 2r29 s GLN 93 Cb -0.12 -0.13 -0.04 0.00 1.10 0.00 0.00 33.01 33.83 2r29 s GLN 93 CO -0.06 0.01 0.03 -1.14 -0.55 0.00 0.00 175.29 173.57 2r29 s GLN 94 N -1.69 2.64 0.00 1.67 0.74 -0.99 -1.33 119.66 120.70 2r29 s GLN 94 Ca -0.11 -0.84 0.00 0.00 0.05 0.00 0.00 55.36 54.46 2r29 s GLN 94 Cb -0.09 -2.57 0.00 0.00 1.10 0.00 0.00 33.01 31.45 2r29 s GLN 94 CO -0.01 0.53 0.83 2.41 -0.55 0.00 0.00 175.29 178.50 2r29 n THR 95 N 0.35 0.00 -0.01 -0.34 -1.04 -1.20 -4.00 114.28 108.04 2r29 n THR 95 Ca -0.10 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2r29 n THR 95 Cb 0.53 0.66 -0.00 0.00 -1.82 0.00 0.00 70.33 69.69 2r29 n THR 95 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2r29 n ASN 96 N 0.00 0.16 -4.68 8.00 4.05 -1.26 -4.88 115.26 116.65 2r29 n ASN 96 Ca 0.00 0.25 -0.38 0.00 0.45 0.00 0.00 54.58 54.90 2r29 n ASN 96 Cb 0.63 -0.53 -0.07 0.00 1.23 0.00 0.00 39.78 41.04 2r29 n ASN 96 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2r29 s VAL 97 N -1.12 5.18 0.09 3.44 1.01 -1.26 -4.96 120.40 122.78 2r29 s VAL 97 Ca -0.01 0.80 0.07 0.00 0.00 0.00 0.00 61.98 62.83 2r29 s VAL 97 Cb 0.00 -3.77 0.11 0.00 0.00 0.00 0.00 36.38 32.72 2r29 s VAL 97 CO 0.02 0.25 0.30 0.47 0.00 0.00 0.00 175.10 176.14 2r29 n ASP 98 N 4.36 0.03 -4.58 3.32 8.00 -1.26 -3.20 116.55 123.22 2r29 n ASP 98 Ca -0.07 0.25 -0.36 0.00 0.71 0.00 0.00 54.79 55.31 2r29 n ASP 98 Cb 0.51 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 2r29 n ASP 98 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2r29 s PRO 99 N -3.80 3.32 -0.84 -0.24 0.02 -1.26 -4.62 135.00 127.58 2r29 s PRO 99 Ca -0.01 -1.51 -0.07 0.00 0.02 0.00 0.00 61.00 59.43 2r29 s PRO 99 Cb 0.06 -5.39 -0.12 0.00 0.02 0.00 0.00 34.50 29.07 2r29 s PRO 99 CO 0.16 -2.95 2.73 0.91 -0.33 0.00 0.00 177.00 177.52 2r29 n TRP 100 N 10.95 1.25 -2.94 6.54 7.02 -1.19 -4.84 117.44 134.23 2r29 n TRP 100 Ca 0.45 -2.09 -0.23 0.00 -1.02 0.00 0.00 57.50 54.61 2r29 n TRP 100 Cb 0.47 -1.85 0.01 0.00 -2.42 0.00 0.00 31.31 27.52 2r29 n TRP 100 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2r29 s ALA 101 N 2.26 3.72 0.31 6.99 0.00 -1.26 -4.59 121.76 129.20 2r29 s ALA 101 Ca 0.55 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.57 2r29 s ALA 101 Cb 0.18 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 2r29 s ALA 101 CO -0.03 -0.41 0.23 -0.06 0.00 0.00 0.00 175.76 175.49 2r29 s PHE 102 N -2.59 2.91 0.00 0.00 2.99 -1.26 -2.35 117.98 117.68 2r29 s PHE 102 Ca 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 56.93 57.15 2r29 s PHE 102 Cb -0.10 -1.64 0.00 0.00 0.00 0.00 0.00 43.02 41.28 2r29 s PHE 102 CO 0.39 0.32 0.00 0.41 -0.00 0.00 0.00 175.22 176.33 2r29 n GLY 103 N -1.26 -1.91 0.18 4.36 0.00 0.12 -4.91 105.19 101.77 2r29 n GLY 103 Ca -0.04 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 44.74 2r29 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r29 n GLY 104 N 1.86 -0.33 0.00 -0.02 0.00 -1.26 -4.94 105.19 100.50 2r29 n GLY 104 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2r29 n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r29 n GLY 105 N 2.09 2.01 3.03 -0.02 0.00 -1.26 -5.01 105.19 106.03 2r29 n GLY 105 Ca -0.42 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.33 2r29 n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r29 s THR 106 N -1.84 -0.30 -0.83 2.61 2.01 -0.99 -4.84 115.64 111.47 2r29 s THR 106 Ca 0.00 0.24 -0.19 0.00 0.31 0.00 0.00 61.69 62.04 2r29 s THR 106 Cb 0.00 -0.43 0.12 0.00 0.01 0.00 0.00 72.50 72.20 2r29 s THR 106 CO 0.00 0.10 1.04 -0.54 -0.69 0.00 0.00 174.62 174.53 2r29 s LYS 107 N 2.05 3.43 0.26 4.92 1.02 -1.24 -0.43 119.74 129.75 2r29 s LYS 107 Ca -0.02 -1.53 -0.30 0.00 0.02 0.00 0.00 55.97 54.14 2r29 s LYS 107 Cb -0.11 -4.68 -0.10 0.00 -0.52 0.00 0.00 37.83 32.41 2r29 s LYS 107 CO -0.09 -1.75 1.44 -1.17 -0.92 0.00 0.00 175.35 172.87 2r29 s LEU 108 N 2.93 4.38 -0.12 3.17 2.96 -0.49 -3.25 118.68 128.27 2r29 s LEU 108 Ca 0.28 2.70 0.01 0.00 -0.22 0.00 0.00 54.13 56.89 2r29 s LEU 108 Cb -0.10 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 42.99 2r29 s LEU 108 CO -0.03 -0.71 -0.13 -0.70 -1.32 0.00 0.00 176.35 173.46 2r29 s GLU 109 N -0.55 2.01 -0.15 1.98 2.56 0.70 -3.99 118.70 121.26 2r29 s GLU 109 Ca 0.58 -0.47 -0.07 0.00 0.00 0.00 0.00 54.97 55.02 2r29 s GLU 109 Cb -0.42 -1.81 -0.04 0.00 2.00 0.00 0.00 34.13 33.85 2r29 s GLU 109 CO 0.45 -0.15 0.10 0.96 -0.56 0.00 0.00 175.26 176.06 2r29 s ILE 110 N 1.26 5.16 0.23 -3.70 -4.36 -1.26 0.11 121.20 118.64 2r29 s ILE 110 Ca -0.02 0.09 -0.17 0.00 -0.26 0.00 0.00 60.65 60.29 2r29 s ILE 110 Cb -0.14 -3.29 -0.08 0.00 1.25 0.00 0.00 42.46 40.20 2r29 s ILE 110 CO -0.05 0.53 0.68 -0.54 0.24 0.00 0.00 174.94 175.80 2r29 s LYS 111 N -0.30 4.11 0.41 0.37 1.02 -0.04 -4.92 119.74 120.38 2r29 s LYS 111 Ca 0.10 0.71 0.03 0.00 0.02 0.00 0.00 55.97 56.83 2r29 s LYS 111 Cb -0.12 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 2r29 s LYS 111 CO 0.01 0.35 0.07 0.50 -0.92 0.00 0.00 175.35 175.36 2r29 s ARG 112 N -2.27 1.91 0.70 1.68 3.52 -1.26 -4.33 118.95 118.90 2r29 s ARG 112 Ca 0.45 -2.14 -0.15 0.00 -0.13 0.00 0.00 55.73 53.76 2r29 s ARG 112 Cb -0.14 -0.96 0.02 0.00 -1.56 0.00 0.00 34.95 32.31 2r29 s ARG 112 CO 0.20 -0.33 1.16 0.00 -0.81 0.00 0.00 175.30 175.51 2r29 s ALA 113 N -3.12 2.27 0.12 6.12 0.00 -1.26 -4.91 121.76 120.97 2r29 s ALA 113 Ca 0.25 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 2r29 s ALA 113 Cb 0.05 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 2r29 s ALA 113 CO 0.13 -1.61 1.15 -0.51 0.00 0.00 0.00 175.76 174.91 2r29 s ASP 114 N -2.33 7.17 0.10 0.00 1.11 -1.26 -4.64 116.67 116.82 2r29 s ASP 114 Ca 0.70 2.05 -0.31 0.00 0.18 0.00 0.00 52.55 55.18 2r29 s ASP 114 Cb -0.25 -2.59 -0.09 0.00 1.07 0.00 0.00 42.92 41.06 2r29 s ASP 114 CO 0.44 -0.35 1.75 0.00 1.18 0.00 0.00 175.17 178.19 2r29 s ALA 115 N 0.42 3.72 -0.53 5.23 0.00 -1.26 -4.87 121.76 124.46 2r29 s ALA 115 Ca 0.54 1.33 -0.13 0.00 0.00 0.00 0.00 51.96 53.70 2r29 s ALA 115 Cb -0.29 -3.73 0.13 0.00 0.00 0.00 0.00 23.12 19.22 2r29 s ALA 115 CO 0.32 -1.18 0.46 0.00 0.00 0.00 0.00 175.76 175.36 2r29 s ALA 116 N 2.75 3.58 0.07 0.00 0.00 -1.26 -4.72 121.76 122.17 2r29 s ALA 116 Ca 0.78 -2.60 -0.31 0.00 0.00 0.00 0.00 51.96 49.83 2r29 s ALA 116 Cb -0.43 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 2r29 s ALA 116 CO 0.35 -1.99 1.63 -1.25 0.00 0.00 0.00 175.76 174.49 2r29 s PRO 117 N 1.39 4.20 0.78 0.00 0.04 -1.26 -4.77 135.00 135.38 2r29 s PRO 117 Ca 0.05 2.31 -0.11 0.00 0.04 0.00 0.00 61.00 63.28 2r29 s PRO 117 Cb -0.27 -3.57 0.06 0.00 0.04 0.00 0.00 34.50 30.76 2r29 s PRO 117 CO 0.01 -0.72 1.10 0.99 0.04 0.00 0.00 177.00 178.42 2r29 s THR 118 N 2.54 3.10 -0.25 1.26 2.01 0.81 -4.94 115.64 120.16 2r29 s THR 118 Ca 0.73 0.36 -0.02 0.00 0.31 0.00 0.00 61.69 63.06 2r29 s THR 118 Cb -0.39 -3.16 0.12 0.00 0.01 0.00 0.00 72.50 69.07 2r29 s THR 118 CO 0.32 -0.47 0.27 -0.69 -0.69 0.00 0.00 174.62 173.36 2r29 s VAL 119 N -3.21 -0.39 -0.27 3.82 1.01 -1.26 -3.06 120.40 117.04 2r29 s VAL 119 Ca 0.60 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 2r29 s VAL 119 Cb -0.14 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 2r29 s VAL 119 CO 0.54 -0.32 0.08 -0.44 0.00 0.00 0.00 175.10 174.96 2r29 s SER 120 N 2.36 5.14 -0.26 3.32 0.01 -1.13 -4.97 113.70 118.18 2r29 s SER 120 Ca 0.09 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 56.83 2r29 s SER 120 Cb -0.15 -1.91 -0.02 0.00 0.21 0.00 0.00 66.02 64.16 2r29 s SER 120 CO -0.22 -0.12 0.05 -0.51 0.41 0.00 0.00 173.24 172.86 2r29 s ILE 121 N 1.56 4.06 -0.16 1.44 1.10 -1.26 -2.78 121.20 125.16 2r29 s ILE 121 Ca 0.05 -0.36 0.02 0.00 -0.51 0.00 0.00 60.65 59.84 2r29 s ILE 121 Cb -0.16 -2.94 0.01 0.00 0.15 0.00 0.00 42.46 39.52 2r29 s ILE 121 CO 0.03 0.29 -0.20 -0.36 -2.11 0.00 0.00 174.94 172.59 2r29 s PHE 122 N 1.56 2.73 0.48 3.50 0.40 0.79 -4.97 117.98 122.46 2r29 s PHE 122 Ca 0.05 -1.42 -0.19 0.00 -0.60 0.00 0.00 56.93 54.78 2r29 s PHE 122 Cb -0.15 -1.87 -0.09 0.00 0.51 0.00 0.00 43.02 41.41 2r29 s PHE 122 CO 0.02 -0.67 0.97 -1.25 0.70 0.00 0.00 175.22 174.99 2r29 s PRO 123 N 1.01 4.06 0.49 0.24 0.04 -1.26 -0.94 135.00 138.63 2r29 s PRO 123 Ca -0.02 1.06 -0.20 0.00 0.04 0.00 0.00 61.00 61.88 2r29 s PRO 123 Cb -0.15 -2.15 -0.11 0.00 0.04 0.00 0.00 34.50 32.13 2r29 s PRO 123 CO -0.06 -0.18 0.48 -2.30 0.04 0.00 0.00 177.00 174.98 2r29 n PRO 124 N -1.11 0.51 -1.53 0.56 -0.02 -0.09 -4.91 135.00 128.41 2r29 n PRO 124 Ca 0.07 0.19 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 2r29 n PRO 124 Cb 0.54 -1.55 0.07 0.00 -0.02 0.00 0.00 33.50 32.54 2r29 n PRO 124 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2r29 s SER 125 N -1.04 4.65 -0.30 2.55 1.04 -1.26 -4.99 113.70 114.35 2r29 s SER 125 Ca 0.65 2.06 -0.05 0.00 0.48 0.00 0.00 55.95 59.09 2r29 s SER 125 Cb -0.52 -2.55 -0.14 0.00 0.10 0.00 0.00 66.02 62.91 2r29 s SER 125 CO 0.57 -1.94 2.41 -1.20 0.98 0.00 0.00 173.24 174.06 2r29 n SER 126 N -2.81 3.96 0.00 7.02 7.64 -1.26 -4.96 113.62 123.21 2r29 n SER 126 Ca 0.11 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.80 2r29 n SER 126 Cb 0.52 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 2r29 n SER 126 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2r29 n LEU 129 N 3.09 0.00 0.00 -3.43 0.00 -1.26 -5.25 117.00 110.15 2r29 n LEU 129 Ca 0.34 0.00 0.10 0.00 0.00 0.00 0.00 56.01 56.45 2r29 n LEU 129 Cb 0.45 0.00 0.54 0.00 0.00 0.00 0.00 43.42 44.42 2r29 n LEU 129 CO 0.33 0.00 0.81 0.41 0.00 0.00 0.00 177.39 178.94 2r29 n THR 130 N -1.11 0.27 -3.70 1.96 -1.04 -1.26 -4.61 114.28 104.79 2r29 n THR 130 Ca 0.00 0.07 -0.13 0.00 -2.04 0.00 0.00 64.05 61.95 2r29 n THR 130 Cb 0.00 -0.74 -0.09 0.00 -1.82 0.00 0.00 70.33 67.68 2r29 n THR 130 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2r29 s SER 131 N -2.40 -0.54 1.15 8.00 0.01 -1.26 -5.09 113.70 113.57 2r29 s SER 131 Ca 0.23 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.51 2r29 s SER 131 Cb 0.14 1.03 0.00 0.00 0.21 0.00 0.00 66.02 67.39 2r29 s SER 131 CO 0.29 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2r29 n GLY 132 N 2.94 1.83 0.00 3.44 0.00 -1.26 -4.94 105.19 107.18 2r29 n GLY 132 Ca -0.14 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2r29 n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r29 n GLY 133 N 0.00 4.51 3.77 -0.02 0.00 -1.24 -3.01 105.19 109.19 2r29 n GLY 133 Ca 0.00 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 2r29 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r29 s ALA 134 N -1.79 3.61 -0.53 4.61 0.00 0.90 -4.72 121.76 123.84 2r29 s ALA 134 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 2r29 s ALA 134 Cb 0.00 -2.44 0.14 0.00 0.00 0.00 0.00 23.12 20.82 2r29 s ALA 134 CO 0.00 0.23 0.34 -1.12 0.00 0.00 0.00 175.76 175.21 2r29 s SER 135 N -0.10 5.26 -0.62 0.00 0.01 -1.26 -3.28 113.70 113.71 2r29 s SER 135 Ca 0.22 -2.48 -0.01 0.00 1.31 0.00 0.00 55.95 54.99 2r29 s SER 135 Cb -0.15 -1.85 0.16 0.00 0.21 0.00 0.00 66.02 64.39 2r29 s SER 135 CO 0.09 -0.45 0.42 -0.69 0.41 0.00 0.00 173.24 173.02 2r29 s VAL 136 N 0.48 3.46 -0.05 3.43 1.01 -1.18 -0.91 120.40 126.64 2r29 s VAL 136 Ca 0.13 -3.17 -0.05 0.00 0.00 0.00 0.00 61.98 58.89 2r29 s VAL 136 Cb -0.21 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2r29 s VAL 136 CO -0.04 -0.88 0.17 -0.69 0.00 0.00 0.00 175.10 173.67 2r29 s VAL 137 N -0.27 5.45 -0.41 2.92 1.01 -0.12 -1.77 120.40 127.21 2r29 s VAL 137 Ca 0.18 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.27 2r29 s VAL 137 Cb -0.20 -3.49 0.34 0.00 0.00 0.00 0.00 36.38 33.02 2r29 s VAL 137 CO -0.03 0.45 0.91 0.00 0.00 0.00 0.00 175.10 176.43 2r29 s PHE 139 N -1.17 1.89 -0.42 0.00 -0.71 -1.12 -4.14 117.98 112.30 2r29 s PHE 139 Ca 0.32 -0.02 -0.19 0.00 -1.04 0.00 0.00 56.93 55.99 2r29 s PHE 139 Cb 0.32 -4.08 0.02 0.00 -1.21 0.00 0.00 43.02 38.07 2r29 s PHE 139 CO -0.07 -4.59 0.57 -0.51 -1.34 0.00 0.00 175.22 169.29 2r29 s LEU 140 N 3.59 4.60 0.05 -1.99 1.02 -0.83 -2.82 118.68 122.30 2r29 s LEU 140 Ca 0.80 -0.41 -0.14 0.00 0.02 0.00 0.00 54.13 54.40 2r29 s LEU 140 Cb -0.40 -2.61 -0.06 0.00 0.02 0.00 0.00 46.19 43.14 2r29 s LEU 140 CO 0.35 -0.69 0.45 0.20 0.02 0.00 0.00 176.35 176.68 2r29 s ASN 141 N 1.92 6.80 -0.70 2.29 0.02 -1.17 0.05 114.94 124.16 2r29 s ASN 141 Ca 0.19 0.98 -0.03 0.00 -1.02 0.00 0.00 52.86 52.97 2r29 s ASN 141 Cb -0.15 -2.25 0.00 0.00 0.02 0.00 0.00 41.25 38.87 2r29 s ASN 141 CO 0.17 0.24 0.67 0.59 0.02 0.00 0.00 177.10 178.79 2r29 n ASN 142 N 1.41 -7.43 -4.25 -1.22 4.13 -0.77 -0.14 115.26 106.99 2r29 n ASN 142 Ca -0.11 -0.08 -0.17 0.00 1.68 0.00 0.00 54.58 55.90 2r29 n ASN 142 Cb 0.52 -4.82 -0.11 0.00 -1.54 0.00 0.00 39.78 33.83 2r29 n ASN 142 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2r29 s PHE 143 N -2.90 1.40 0.00 3.10 -0.71 0.33 -4.35 117.98 114.85 2r29 s PHE 143 Ca 0.05 -0.58 0.00 0.00 -1.04 0.00 0.00 56.93 55.35 2r29 s PHE 143 Cb -0.01 -0.72 0.00 0.00 -1.21 0.00 0.00 43.02 41.08 2r29 s PHE 143 CO 0.77 0.15 0.00 0.98 -1.34 0.00 0.00 175.22 175.78 2r29 n TYR 144 N 0.38 0.00 -1.72 3.49 9.36 -1.26 0.21 117.16 127.62 2r29 n TYR 144 Ca -0.14 0.00 -0.66 0.00 3.32 0.00 0.00 57.90 60.42 2r29 n TYR 144 Cb 0.58 -0.22 -0.09 0.00 -0.63 0.00 0.00 39.34 38.97 2r29 n TYR 144 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 2r29 n PRO 145 N -1.67 0.12 -0.50 2.98 -0.02 -1.26 -4.53 135.00 130.12 2r29 n PRO 145 Ca 0.00 0.05 0.41 0.00 -2.02 0.00 0.00 63.50 61.94 2r29 n PRO 145 Cb 0.00 -1.56 0.70 0.00 -0.02 0.00 0.00 33.50 32.61 2r29 n PRO 145 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2r29 h LYS 146 N 5.02 0.03 -5.36 -0.52 3.64 -2.00 -3.41 116.57 113.97 2r29 h LYS 146 Ca -0.45 -0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.47 2r29 h LYS 146 Cb 1.37 -0.01 -0.25 0.00 -0.41 0.00 0.00 32.23 32.93 2r29 h LYS 146 CO 0.94 0.02 -0.80 -0.51 -2.27 0.00 0.00 179.45 176.84 2r29 s ASP 147 N -4.30 1.71 -0.03 4.20 -0.00 -1.26 -4.97 116.67 112.02 2r29 s ASP 147 Ca -0.07 -0.43 -0.13 0.00 -0.00 0.00 0.00 52.55 51.92 2r29 s ASP 147 Cb 0.30 -0.12 0.02 0.00 -0.00 0.00 0.00 42.92 43.11 2r29 s ASP 147 CO 0.84 0.06 0.28 -0.63 -0.00 0.00 0.00 175.17 175.72 2r29 s ILE 148 N -0.77 0.05 0.22 0.77 1.01 -1.26 -5.13 121.20 116.09 2r29 s ILE 148 Ca 0.03 -0.44 0.09 0.00 0.00 0.00 0.00 60.65 60.33 2r29 s ILE 148 Cb -0.08 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 2r29 s ILE 148 CO 0.01 -0.24 -0.17 0.21 0.00 0.00 0.00 174.94 174.75 2r29 s ASN 149 N -1.12 2.95 0.29 3.58 3.84 -1.26 -5.06 114.94 118.16 2r29 s ASN 149 Ca -0.12 -0.98 0.06 0.00 0.21 0.00 0.00 52.86 52.03 2r29 s ASN 149 Cb -0.05 -0.20 -0.06 0.00 -0.55 0.00 0.00 41.25 40.39 2r29 s ASN 149 CO 0.03 -0.06 -0.03 -0.69 -2.79 0.00 0.00 177.10 173.57 2r29 s VAL 150 N -2.55 1.52 0.25 -5.21 1.01 -1.26 -4.08 120.40 110.08 2r29 s VAL 150 Ca 0.23 -2.08 0.08 0.00 0.00 0.00 0.00 61.98 60.21 2r29 s VAL 150 Cb -0.04 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 2r29 s VAL 150 CO 0.09 -0.23 -0.12 -0.54 0.00 0.00 0.00 175.10 174.31 2r29 s LYS 151 N -3.77 1.49 -0.55 2.72 1.02 -0.90 -4.96 119.74 114.79 2r29 s LYS 151 Ca 0.31 -1.71 0.05 0.00 0.02 0.00 0.00 55.97 54.64 2r29 s LYS 151 Cb 0.05 -1.26 0.20 0.00 -0.52 0.00 0.00 37.83 36.30 2r29 s LYS 151 CO 0.13 0.15 0.49 0.91 -0.92 0.00 0.00 175.35 176.10 2r29 n TRP 152 N -0.52 1.33 -1.57 3.18 7.02 -1.26 -1.86 117.44 123.77 2r29 n TRP 152 Ca -0.06 -3.83 -0.40 0.00 -1.02 0.00 0.00 57.50 52.19 2r29 n TRP 152 Cb 0.62 -0.27 -0.03 0.00 -2.42 0.00 0.00 31.31 29.20 2r29 n TRP 152 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2r29 n LYS 153 N 1.99 1.45 -0.27 -0.99 5.02 -1.15 -3.28 118.16 120.93 2r29 n LYS 153 Ca 0.25 0.25 -0.06 0.00 -2.02 0.00 0.00 58.31 56.73 2r29 n LYS 153 Cb 0.43 -3.28 0.06 0.00 -0.02 0.00 0.00 35.03 32.21 2r29 n LYS 153 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2r29 h ILE 154 N 7.44 1.25 0.00 -0.18 2.10 -1.87 -0.95 117.51 125.30 2r29 h ILE 154 Ca -0.32 -0.78 0.00 0.00 1.08 0.00 0.00 64.86 64.84 2r29 h ILE 154 Cb 1.26 0.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.36 2r29 h ILE 154 CO 1.07 0.32 0.00 -0.67 -1.08 0.00 0.00 178.15 177.78 2r29 n ASP 155 N -4.34 0.00 0.00 2.19 -0.08 -0.70 -3.72 116.55 109.90 2r29 n ASP 155 Ca 0.06 -0.64 0.00 0.00 -1.51 0.00 0.00 54.79 52.70 2r29 n ASP 155 Cb 0.18 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.64 2r29 n ASP 155 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2r29 n ARG 159 N 0.00 -1.02 0.02 -0.67 0.63 -1.21 -4.72 116.66 109.69 2r29 n ARG 159 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2r29 n ARG 159 Cb 0.16 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.07 2r29 n ARG 159 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2r29 n GLN 160 N -0.18 0.00 -1.18 -0.14 7.27 -1.26 -4.75 117.38 117.13 2r29 n GLN 160 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.72 2r29 n GLN 160 Cb 0.00 -0.46 -0.02 0.00 2.41 0.00 0.00 30.24 32.17 2r29 n GLN 160 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 2r29 n ASN 161 N -3.15 6.86 0.00 1.69 6.94 -1.26 -3.07 115.26 123.28 2r29 n ASN 161 Ca 0.00 -2.53 0.00 0.00 -0.02 0.00 0.00 54.58 52.03 2r29 n ASN 161 Cb 0.30 -1.41 0.00 0.00 -2.36 0.00 0.00 39.78 36.31 2r29 n ASN 161 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2r29 n GLY 162 N 3.73 0.00 3.29 4.83 0.00 -1.26 -4.91 105.19 110.87 2r29 n GLY 162 Ca 0.65 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.35 2r29 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r29 s VAL 163 N 0.00 2.15 0.00 1.61 1.01 -1.17 -0.49 120.40 123.50 2r29 s VAL 163 Ca 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.98 2r29 s VAL 163 Cb 0.00 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 2r29 s VAL 163 CO 0.00 0.57 -0.11 -0.76 0.00 0.00 0.00 175.10 174.80 2r29 s LEU 164 N -0.21 2.05 -0.04 3.92 1.43 -0.95 -4.96 118.68 119.92 2r29 s LEU 164 Ca -0.02 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2r29 s LEU 164 Cb -0.13 -0.54 0.03 0.00 0.03 0.00 0.00 46.19 45.58 2r29 s LEU 164 CO 0.03 0.10 0.00 0.20 0.23 0.00 0.00 176.35 176.92 2r29 s ASN 165 N -0.43 0.85 0.39 2.29 -0.87 -1.25 -1.15 114.94 114.77 2r29 s ASN 165 Ca 0.03 -0.03 0.08 0.00 -1.57 0.00 0.00 52.86 51.36 2r29 s ASN 165 Cb -0.05 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.25 40.87 2r29 s ASN 165 CO -0.00 -0.14 0.32 -0.55 -2.57 0.00 0.00 177.10 174.16 2r29 s SER 166 N 1.40 5.01 0.07 -1.22 0.15 0.62 -4.94 113.70 114.78 2r29 s SER 166 Ca -0.04 -0.73 0.02 0.00 0.70 0.00 0.00 55.95 55.89 2r29 s SER 166 Cb -0.13 -0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 63.49 2r29 s SER 166 CO -0.03 -0.56 0.13 0.26 1.20 0.00 0.00 173.24 174.25 2r29 s TRP 167 N -2.45 3.31 -0.13 3.44 0.52 -1.26 -3.19 118.94 119.19 2r29 s TRP 167 Ca 0.45 0.14 -0.01 0.00 0.02 0.00 0.00 56.10 56.70 2r29 s TRP 167 Cb -0.03 -1.67 0.04 0.00 -1.15 0.00 0.00 33.47 30.66 2r29 s TRP 167 CO 0.27 0.55 -0.03 0.95 0.02 0.00 0.00 176.95 178.70 2r29 s THR 168 N -1.44 0.80 0.72 2.01 -4.23 -1.25 -4.98 115.64 107.28 2r29 s THR 168 Ca 0.31 -0.32 -0.10 0.00 -1.18 0.00 0.00 61.69 60.41 2r29 s THR 168 Cb -0.12 -0.98 0.16 0.00 1.34 0.00 0.00 72.50 72.90 2r29 s THR 168 CO 0.24 0.18 0.36 0.47 -0.54 0.00 0.00 174.62 175.33 2r29 n ASP 169 N 4.99 -2.65 0.00 3.99 8.00 -1.26 -4.04 116.55 125.58 2r29 n ASP 169 Ca -0.10 -0.36 0.13 0.00 0.71 0.00 0.00 54.79 55.16 2r29 n ASP 169 Cb 0.49 -0.52 0.74 0.00 -0.02 0.00 0.00 41.12 41.81 2r29 n ASP 169 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r29 n GLN 170 N -2.18 0.73 -3.84 -1.24 6.02 -1.26 -4.43 117.38 111.18 2r29 n GLN 170 Ca 0.06 0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.94 2r29 n GLN 170 Cb 0.25 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.88 2r29 n GLN 170 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2r29 s ASP 171 N -2.09 -0.10 0.28 1.08 -1.08 -1.26 -1.71 116.67 111.79 2r29 s ASP 171 Ca 0.36 0.16 0.16 0.00 -0.52 0.00 0.00 52.55 52.71 2r29 s ASP 171 Cb 0.17 0.24 0.07 0.00 -1.46 0.00 0.00 42.92 41.95 2r29 s ASP 171 CO 0.31 -0.09 1.42 -1.28 0.52 0.00 0.00 175.17 176.05 2r29 h SER 172 N 5.70 0.00 -2.93 -0.34 0.87 -1.98 -3.51 113.55 111.37 2r29 h SER 172 Ca -0.26 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.33 2r29 h SER 172 Cb 1.20 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 2r29 h SER 172 CO 0.43 0.47 -0.58 1.07 -0.53 0.00 0.00 176.83 177.68 2r29 n THR 176 N -3.20 -1.48 -3.47 2.23 5.66 -0.69 -5.24 114.28 108.10 2r29 n THR 176 Ca 0.02 0.78 -0.23 0.00 -3.05 0.00 0.00 64.05 61.57 2r29 n THR 176 Cb 0.72 -1.29 0.02 0.00 -1.55 0.00 0.00 70.33 68.24 2r29 n THR 176 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2r29 s TYR 177 N -4.79 1.61 0.29 1.09 4.12 0.56 -4.51 117.35 115.72 2r29 s TYR 177 Ca 0.00 -0.76 -0.01 0.00 0.02 0.00 0.00 57.07 56.32 2r29 s TYR 177 Cb 0.00 -2.07 0.00 0.00 -1.52 0.00 0.00 41.96 38.37 2r29 s TYR 177 CO 0.00 -0.76 0.39 0.43 0.02 0.00 0.00 175.55 175.62 2r29 n SER 178 N -1.97 -1.07 -3.53 2.29 7.64 -1.26 0.12 113.62 115.85 2r29 n SER 178 Ca 0.07 -2.61 -0.14 0.00 1.01 0.00 0.00 58.87 57.20 2r29 n SER 178 Cb 0.63 2.03 -0.06 0.00 -1.01 0.00 0.00 64.21 65.80 2r29 n SER 178 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2r29 s MET 179 N -2.72 1.72 -0.29 1.43 1.75 0.11 -3.81 119.30 117.49 2r29 s MET 179 Ca 0.25 -1.70 0.04 0.00 -1.25 0.00 0.00 55.69 53.03 2r29 s MET 179 Cb -0.01 0.40 0.19 0.00 2.84 0.00 0.00 34.83 38.25 2r29 s MET 179 CO 0.18 -0.68 0.53 0.45 -0.65 0.00 0.00 175.02 174.85 2r29 s SER 180 N -3.21 -1.00 0.11 1.11 0.15 -1.19 -1.96 113.70 107.70 2r29 s SER 180 Ca 0.32 0.07 0.04 0.00 0.70 0.00 0.00 55.95 57.09 2r29 s SER 180 Cb 0.01 1.76 -0.04 0.00 -1.71 0.00 0.00 66.02 66.04 2r29 s SER 180 CO 0.18 -0.31 0.06 -0.55 1.20 0.00 0.00 173.24 173.82 2r29 s SER 181 N 2.74 5.31 0.07 5.45 0.15 -1.26 -0.27 113.70 125.89 2r29 s SER 181 Ca 0.11 -0.12 -0.09 0.00 0.70 0.00 0.00 55.95 56.55 2r29 s SER 181 Cb -0.11 -1.35 -0.00 0.00 -1.71 0.00 0.00 66.02 62.85 2r29 s SER 181 CO -0.27 0.14 0.18 0.42 1.20 0.00 0.00 173.24 174.91 2r29 s THR 182 N -1.49 0.13 -0.24 6.45 -4.23 -0.30 -2.19 115.64 113.78 2r29 s THR 182 Ca 0.28 -1.08 -0.02 0.00 -1.18 0.00 0.00 61.69 59.69 2r29 s THR 182 Cb -0.11 -1.16 0.08 0.00 1.34 0.00 0.00 72.50 72.65 2r29 s THR 182 CO 0.21 -0.60 0.07 -0.22 -0.54 0.00 0.00 174.62 173.54 2r29 s LEU 183 N -2.52 1.38 -0.62 4.79 2.96 -0.73 -2.25 118.68 121.69 2r29 s LEU 183 Ca 0.01 -1.12 -0.16 0.00 -0.22 0.00 0.00 54.13 52.64 2r29 s LEU 183 Cb 0.02 -0.63 0.15 0.00 0.50 0.00 0.00 46.19 46.23 2r29 s LEU 183 CO -0.08 -0.36 0.59 -0.89 -1.32 0.00 0.00 176.35 174.29 2r29 s THR 184 N 1.83 5.29 0.37 3.68 2.01 0.35 -3.11 115.64 126.06 2r29 s THR 184 Ca 0.04 -1.73 0.06 0.00 0.31 0.00 0.00 61.69 60.36 2r29 s THR 184 Cb -0.17 -4.39 0.06 0.00 0.01 0.00 0.00 72.50 68.01 2r29 s THR 184 CO -0.17 -0.93 0.50 0.18 -0.69 0.00 0.00 174.62 173.51 2r29 n LEU 185 N 4.98 0.00 -4.97 4.42 4.77 -1.20 -4.75 117.00 120.25 2r29 n LEU 185 Ca -0.06 -1.62 -0.23 0.00 -0.03 0.00 0.00 56.01 54.07 2r29 n LEU 185 Cb 0.42 -0.26 0.07 0.00 -2.33 0.00 0.00 43.42 41.33 2r29 n LEU 185 CO 0.49 -0.62 0.51 0.42 -1.33 0.00 0.00 177.39 176.85 2r29 s THR 186 N -1.33 2.37 -2.12 -5.08 -4.23 -1.26 -0.07 115.64 103.92 2r29 s THR 186 Ca 0.38 -0.51 0.20 0.00 -1.18 0.00 0.00 61.69 60.57 2r29 s THR 186 Cb -0.03 -2.86 0.50 0.00 1.34 0.00 0.00 72.50 71.45 2r29 s THR 186 CO 0.24 0.00 1.64 1.17 -0.54 0.00 0.00 174.62 177.13 2r29 n LYS 187 N -2.70 1.32 -0.01 3.99 4.81 -1.16 -2.72 118.16 121.68 2r29 n LYS 187 Ca 0.10 -0.48 0.02 0.00 -0.87 0.00 0.00 58.31 57.08 2r29 n LYS 187 Cb 0.60 -1.34 0.02 0.00 0.02 0.00 0.00 35.03 34.34 2r29 n LYS 187 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2r29 n ASP 188 N -0.30 1.49 -0.03 3.14 5.68 -1.26 -3.79 116.55 121.49 2r29 n ASP 188 Ca 0.15 -1.29 0.01 0.00 -0.50 0.00 0.00 54.79 53.16 2r29 n ASP 188 Cb 0.18 -0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 40.06 2r29 n ASP 188 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2r29 n GLU 189 N 0.21 1.18 -0.03 0.11 4.07 -1.22 -3.85 120.64 121.11 2r29 n GLU 189 Ca 0.03 -0.06 -0.15 0.00 -0.06 0.00 0.00 57.16 56.91 2r29 n GLU 189 Cb 0.14 -1.28 -0.10 0.00 -0.06 0.00 0.00 31.44 30.14 2r29 n GLU 189 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 2r29 h TYR 190 N 0.00 0.45 -0.13 4.31 3.20 -1.71 -3.29 116.97 119.80 2r29 h TYR 190 Ca -0.13 -0.21 -0.18 0.00 3.14 0.00 0.00 58.73 61.35 2r29 h TYR 190 Cb 1.03 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 2r29 h TYR 190 CO 0.00 0.97 -0.67 1.05 -1.64 0.00 0.00 178.16 177.87 2r29 h GLU 191 N -0.19 0.50 -0.48 1.82 4.11 -1.78 -3.14 114.58 115.42 2r29 h GLU 191 Ca -0.03 -0.37 0.00 0.00 0.07 0.00 0.00 59.36 59.03 2r29 h GLU 191 Cb 1.03 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2r29 h GLU 191 CO 0.07 1.00 0.00 0.54 0.07 0.00 0.00 179.01 180.69 2r29 n ARG 192 N -3.89 0.15 -1.57 1.06 3.00 -1.24 -4.64 116.66 109.52 2r29 n ARG 192 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.80 2r29 n ARG 192 Cb 0.67 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.99 2r29 n ARG 192 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2r29 n HIS 193 N 0.52 -0.39 0.00 -1.55 8.25 -1.19 -5.02 115.22 115.85 2r29 n HIS 193 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2r29 n HIS 193 Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2r29 n HIS 193 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2r29 n ASN 194 N -2.16 0.00 -3.94 0.41 0.23 -1.26 -5.00 115.26 103.54 2r29 n ASN 194 Ca 0.00 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.87 2r29 n ASN 194 Cb 0.00 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.55 2r29 n ASN 194 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2r29 s SER 195 N -2.64 0.77 0.11 0.53 0.15 -1.26 -2.48 113.70 108.88 2r29 s SER 195 Ca 0.00 -0.11 0.08 0.00 0.70 0.00 0.00 55.95 56.62 2r29 s SER 195 Cb 0.00 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.06 2r29 s SER 195 CO 0.00 0.02 -0.15 -0.31 1.20 0.00 0.00 173.24 174.00 2r29 s TYR 196 N 0.28 2.61 0.03 3.44 1.51 -1.17 -1.73 117.35 122.32 2r29 s TYR 196 Ca -0.03 -0.23 0.02 0.00 -1.01 0.00 0.00 57.07 55.82 2r29 s TYR 196 Cb -0.07 -1.38 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 2r29 s TYR 196 CO -0.00 0.39 -0.08 0.99 -1.11 0.00 0.00 175.55 175.74 2r29 s THR 197 N -1.15 0.55 -0.32 -0.71 2.01 -0.36 -3.10 115.64 112.56 2r29 s THR 197 Ca 0.19 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 2r29 s THR 197 Cb -0.11 -0.56 0.05 0.00 0.01 0.00 0.00 72.50 71.89 2r29 s THR 197 CO 0.11 -0.16 0.05 0.00 -0.69 0.00 0.00 174.62 173.93 2r29 s GLU 199 N 1.31 4.10 0.45 0.00 2.12 -0.78 -2.87 118.70 123.03 2r29 s GLU 199 Ca -0.03 0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.53 2r29 s GLU 199 Cb -0.20 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.54 2r29 s GLU 199 CO 0.00 -0.21 0.01 0.00 -0.54 0.00 0.00 175.26 174.53 2r29 s ALA 200 N 1.84 3.56 -0.20 6.30 0.00 -1.03 -2.12 121.76 130.11 2r29 s ALA 200 Ca 0.19 -1.41 -0.21 0.00 0.00 0.00 0.00 51.96 50.53 2r29 s ALA 200 Cb -0.15 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2r29 s ALA 200 CO 0.09 -0.09 0.62 0.99 0.00 0.00 0.00 175.76 177.37 2r29 s THR 201 N -2.82 5.03 1.08 0.00 2.01 -1.26 -3.36 115.64 116.32 2r29 s THR 201 Ca 0.22 1.17 -0.16 0.00 0.31 0.00 0.00 61.69 63.23 2r29 s THR 201 Cb 0.06 -3.94 0.19 0.00 0.01 0.00 0.00 72.50 68.82 2r29 s THR 201 CO 0.11 0.12 0.35 -0.24 -0.69 0.00 0.00 174.62 174.27 2r29 n SER 203 N 5.00 -3.06 -4.54 3.53 2.88 -1.26 -4.33 113.62 111.84 2r29 n SER 203 Ca -0.02 -0.41 -0.59 0.00 -1.33 0.00 0.00 58.87 56.52 2r29 n SER 203 Cb 0.50 -0.82 -0.08 0.00 -0.75 0.00 0.00 64.21 63.05 2r29 n SER 203 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2r29 n PRO 204 N -2.33 0.14 -4.52 -1.46 -0.02 -1.26 -4.99 135.00 120.56 2r29 n PRO 204 Ca 0.06 0.05 -0.31 0.00 -2.02 0.00 0.00 63.50 61.28 2r29 n PRO 204 Cb 0.42 -1.57 -0.11 0.00 -0.02 0.00 0.00 33.50 32.22 2r29 n PRO 204 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2r29 s ILE 205 N 0.43 3.17 -0.01 4.25 2.07 -1.21 -4.99 121.20 124.91 2r29 s ILE 205 Ca 0.92 -1.07 -0.00 0.00 -1.41 0.00 0.00 60.65 59.09 2r29 s ILE 205 Cb -1.26 -2.38 0.01 0.00 0.13 0.00 0.00 42.46 38.96 2r29 s ILE 205 CO 0.59 0.31 0.01 0.68 -1.91 0.00 0.00 174.94 174.62 2r29 s VAL 206 N -1.00 -0.02 -0.32 4.00 -7.23 -1.26 -2.47 120.40 112.11 2r29 s VAL 206 Ca 0.17 0.06 0.04 0.00 -1.81 0.00 0.00 61.98 60.43 2r29 s VAL 206 Cb -0.11 -0.03 0.09 0.00 0.56 0.00 0.00 36.38 36.89 2r29 s VAL 206 CO 0.07 0.02 0.01 -0.54 -0.31 0.00 0.00 175.10 174.35 2r29 s LYS 207 N 0.28 1.68 0.48 4.82 3.01 -1.14 -4.95 119.74 123.92 2r29 s LYS 207 Ca -0.02 -1.73 0.02 0.00 -1.01 0.00 0.00 55.97 53.23 2r29 s LYS 207 Cb -0.03 -3.11 0.01 0.00 -1.01 0.00 0.00 37.83 33.69 2r29 s LYS 207 CO -0.01 -0.84 0.69 -1.54 0.51 0.00 0.00 175.35 174.17 2r29 s SER 208 N 0.96 5.59 -0.30 2.83 1.04 -1.26 -2.40 113.70 120.16 2r29 s SER 208 Ca 0.06 0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.40 2r29 s SER 208 Cb -0.19 -1.17 0.20 0.00 0.10 0.00 0.00 66.02 64.96 2r29 s SER 208 CO -0.07 -0.88 1.23 0.72 0.98 0.00 0.00 173.24 175.23 2r29 s PHE 209 N -2.60 -0.12 -0.32 5.02 -0.12 -1.18 -5.02 117.98 113.64 2r29 s PHE 209 Ca 0.52 0.24 -0.12 0.00 -0.05 0.00 0.00 56.93 57.53 2r29 s PHE 209 Cb -0.10 0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.34 2r29 s PHE 209 CO 0.37 -0.06 0.20 -0.80 -0.05 0.00 0.00 175.22 174.89 2r29 s ASN 210 N 1.12 5.90 0.19 1.98 0.01 -1.26 -3.02 114.94 119.86 2r29 s ASN 210 Ca -0.08 -0.35 0.15 0.00 -0.71 0.00 0.00 52.86 51.87 2r29 s ASN 210 Cb -0.02 -2.10 0.61 0.00 0.41 0.00 0.00 41.25 40.15 2r29 s ASN 210 CO -0.11 -0.18 0.60 0.54 -1.51 0.00 0.00 177.10 176.45 2r29 n ARG 211 N 5.06 -0.01 0.00 -0.60 1.74 -1.03 -2.94 116.66 118.88 2r29 n ARG 211 Ca -0.13 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 2r29 n ARG 211 Cb 0.50 -0.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 2r29 n ARG 211 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2r29 n ASN 212 N -3.14 0.00 0.00 0.55 5.03 -1.26 -5.14 115.26 111.30 2r29 n ASN 212 Ca 0.16 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.61 2r29 n ASN 212 Cb 0.68 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.44 2r29 n ASN 212 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81