#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uem s SER 2 N 0.00 1.75 -1.37 1.61 0.01 -1.26 -5.08 113.70 109.36 1uem s SER 2 Ca 0.00 -0.19 -0.09 0.00 1.31 0.00 0.00 55.95 56.98 1uem s SER 2 Cb 0.00 -0.63 0.10 0.00 0.21 0.00 0.00 66.02 65.70 1uem s SER 2 CO 0.00 -0.13 2.25 -1.54 0.41 0.00 0.00 173.24 174.23 1uem n SER 3 N 4.82 6.42 -2.86 2.44 3.41 -1.26 -4.96 113.62 121.63 1uem n SER 3 Ca -0.13 -3.01 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1uem n SER 3 Cb 0.50 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 1uem n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uem n GLY 4 N 2.73 -2.70 3.68 5.00 0.00 -1.26 -4.92 105.19 107.72 1uem n GLY 4 Ca 0.54 -1.38 -0.48 0.00 0.00 0.00 0.00 46.02 44.70 1uem n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uem n SER 5 N -2.31 3.20 -3.30 1.61 3.41 -1.26 -5.02 113.62 109.94 1uem n SER 5 Ca 0.00 1.02 -0.21 0.00 -0.26 0.00 0.00 58.87 59.42 1uem n SER 5 Cb 0.00 -1.36 0.15 0.00 -0.26 0.00 0.00 64.21 62.74 1uem n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1uem n SER 6 N 5.47 -0.54 -2.70 4.04 7.64 -1.26 -5.05 113.62 121.22 1uem n SER 6 Ca 0.21 -1.22 -0.05 0.00 1.01 0.00 0.00 58.87 58.82 1uem n SER 6 Cb 0.28 -0.71 0.04 0.00 -1.01 0.00 0.00 64.21 62.81 1uem n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uem n GLY 7 N -1.61 2.43 1.18 0.23 0.00 -1.26 -4.87 105.19 101.29 1uem n GLY 7 Ca 0.11 -1.34 -0.01 0.00 0.00 0.00 0.00 46.02 44.78 1uem n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1uem n LYS 8 N -0.53 0.00 -3.48 1.61 2.85 -1.26 -5.09 118.16 112.27 1uem n LYS 8 Ca 0.13 -1.43 -0.21 0.00 -1.05 0.00 0.00 58.31 55.75 1uem n LYS 8 Cb 0.82 0.16 -0.12 0.00 -0.65 0.00 0.00 35.03 35.24 1uem n LYS 8 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1uem s ASN 9 N -1.43 2.14 -0.03 -5.58 4.22 -1.26 -5.00 114.94 108.01 1uem s ASN 9 Ca 0.16 -0.74 0.10 0.00 -2.14 0.00 0.00 52.86 50.25 1uem s ASN 9 Cb 0.19 0.19 0.29 0.00 1.28 0.00 0.00 41.25 43.20 1uem s ASN 9 CO -0.08 -0.38 1.24 -1.22 -2.04 0.00 0.00 177.10 174.61 1uem n TYR 10 N 5.29 0.45 -1.70 1.54 4.02 -1.26 -5.05 117.16 120.45 1uem n TYR 10 Ca -0.04 -0.56 -0.39 0.00 -0.01 0.00 0.00 57.90 56.89 1uem n TYR 10 Cb 0.46 -0.07 0.04 0.00 -0.02 0.00 0.00 39.34 39.75 1uem n TYR 10 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1uem n ASP 11 N 0.18 2.14 -2.73 7.72 8.00 -1.26 -4.91 116.55 125.70 1uem n ASP 11 Ca 0.11 0.97 -0.31 0.00 0.71 0.00 0.00 54.79 56.27 1uem n ASP 11 Cb 0.47 -1.51 -0.04 0.00 -0.02 0.00 0.00 41.12 40.02 1uem n ASP 11 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1uem n LEU 12 N -0.63 6.85 -3.31 0.64 4.77 -1.26 -4.89 117.00 119.18 1uem n LEU 12 Ca 0.10 -4.31 -0.29 0.00 -0.03 0.00 0.00 56.01 51.48 1uem n LEU 12 Cb 0.44 -1.24 0.03 0.00 -2.33 0.00 0.00 43.42 40.32 1uem n LEU 12 CO 0.54 1.80 -0.17 -0.24 -1.33 0.00 0.00 177.39 177.99 1uem n SER 13 N 0.89 -6.26 -0.31 -1.43 2.88 -1.26 -4.91 113.62 103.21 1uem n SER 13 Ca 0.52 0.04 0.05 0.00 -1.33 0.00 0.00 58.87 58.15 1uem n SER 13 Cb 0.47 -2.83 0.21 0.00 -0.75 0.00 0.00 64.21 61.31 1uem n SER 13 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1uem n ASP 14 N -0.26 0.91 -4.97 -3.46 9.92 -1.26 -4.82 116.55 112.61 1uem n ASP 14 Ca -0.03 -1.85 -0.21 0.00 -0.53 0.00 0.00 54.79 52.17 1uem n ASP 14 Cb 0.62 -0.10 0.02 0.00 -0.64 0.00 0.00 41.12 41.02 1uem n ASP 14 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1uem s LEU 15 N -1.20 3.49 0.38 0.64 1.43 -1.26 -4.50 118.68 117.66 1uem s LEU 15 Ca 0.18 0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 53.09 1uem s LEU 15 Cb 0.09 -2.97 -0.10 0.00 0.03 0.00 0.00 46.19 43.24 1uem s LEU 15 CO 0.14 -0.89 1.38 -2.84 0.23 0.00 0.00 176.35 174.36 1uem s PRO 16 N -4.62 4.09 0.33 1.29 0.02 -1.26 -4.57 135.00 130.28 1uem s PRO 16 Ca 0.53 2.34 -0.29 0.00 0.02 0.00 0.00 61.00 63.60 1uem s PRO 16 Cb -0.10 -2.91 -0.12 0.00 0.02 0.00 0.00 34.50 31.39 1uem s PRO 16 CO 0.37 -0.46 1.36 0.41 -0.33 0.00 0.00 177.00 178.36 1uem n GLY 17 N 0.63 0.75 3.79 0.52 0.00 0.11 -4.28 105.19 106.70 1uem n GLY 17 Ca 0.02 0.36 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 1uem n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uem s PRO 18 N -1.55 3.24 0.86 1.61 0.04 -1.26 -3.90 135.00 134.04 1uem s PRO 18 Ca 0.58 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.85 1uem s PRO 18 Cb -0.57 -2.01 0.11 0.00 0.04 0.00 0.00 34.50 32.07 1uem s PRO 18 CO 0.59 -0.89 1.10 -1.25 0.04 0.00 0.00 177.00 176.59 1uem s PRO 19 N -3.86 1.49 0.94 0.56 0.04 -1.26 -4.13 135.00 128.78 1uem s PRO 19 Ca 0.66 1.17 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 1uem s PRO 19 Cb -0.19 -1.81 0.16 0.00 0.04 0.00 0.00 34.50 32.71 1uem s PRO 19 CO 0.35 -2.18 1.21 -1.12 0.04 0.00 0.00 177.00 175.30 1uem s SER 20 N -3.15 3.32 -0.02 6.66 0.01 -1.02 -4.53 113.70 114.97 1uem s SER 20 Ca 0.64 0.62 -0.36 0.00 1.31 0.00 0.00 55.95 58.16 1uem s SER 20 Cb -0.19 -0.95 -0.14 0.00 0.21 0.00 0.00 66.02 64.95 1uem s SER 20 CO 0.57 -2.64 1.64 1.17 0.41 0.00 0.00 173.24 174.39 1uem n LYS 21 N -3.77 1.70 -1.98 12.44 4.81 -1.26 -4.62 118.16 125.49 1uem n LYS 21 Ca 0.11 0.62 -0.41 0.00 -0.87 0.00 0.00 58.31 57.75 1uem n LYS 21 Cb 0.60 -2.36 -0.02 0.00 0.02 0.00 0.00 35.03 33.27 1uem n LYS 21 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1uem s PRO 22 N 2.20 4.25 -0.05 1.64 0.04 -1.26 -4.69 135.00 137.13 1uem s PRO 22 Ca 0.88 2.35 -0.18 0.00 0.04 0.00 0.00 61.00 64.09 1uem s PRO 22 Cb -0.83 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 30.57 1uem s PRO 22 CO 0.50 -0.43 0.49 -0.65 0.04 0.00 0.00 177.00 176.94 1uem s GLN 23 N -0.63 4.22 0.41 4.56 -1.52 0.59 -4.60 119.66 122.68 1uem s GLN 23 Ca 0.58 0.52 -0.25 0.00 -1.95 0.00 0.00 55.36 54.26 1uem s GLN 23 Cb -0.43 -3.34 -0.08 0.00 -0.22 0.00 0.00 33.01 28.93 1uem s GLN 23 CO 0.46 0.38 1.22 0.08 -0.25 0.00 0.00 175.29 177.18 1uem s VAL 24 N -0.14 2.93 0.00 1.09 1.01 -1.26 -0.41 120.40 123.62 1uem s VAL 24 Ca 0.27 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1uem s VAL 24 Cb -0.17 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1uem s VAL 24 CO 0.13 0.09 0.00 0.35 0.00 0.00 0.00 175.10 175.67 1uem n THR 25 N 0.07 0.00 -1.94 3.92 -2.24 -0.32 -4.91 114.28 108.85 1uem n THR 25 Ca 0.04 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 1uem n THR 25 Cb 0.45 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 1uem n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uem s ASP 26 N 1.00 6.56 0.02 3.42 -1.08 -1.26 -4.82 116.67 120.52 1uem s ASP 26 Ca 0.00 2.77 0.01 0.00 -0.52 0.00 0.00 52.55 54.81 1uem s ASP 26 Cb 0.00 -2.63 -0.02 0.00 -1.46 0.00 0.00 42.92 38.81 1uem s ASP 26 CO 0.00 -0.76 -0.04 0.54 0.52 0.00 0.00 175.17 175.43 1uem s VAL 27 N -0.15 0.23 0.00 1.11 0.11 -1.26 -0.35 120.40 120.09 1uem s VAL 27 Ca 0.59 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1uem s VAL 27 Cb -0.44 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1uem s VAL 27 CO 0.46 -0.37 0.00 0.35 -3.33 0.00 0.00 175.10 172.21 1uem n THR 28 N 1.82 0.00 -0.33 5.04 -2.24 -0.17 -4.88 114.28 113.52 1uem n THR 28 Ca -0.22 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.57 1uem n THR 28 Cb 0.56 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.93 1uem n THR 28 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1uem h LYS 29 N 0.00 1.03 0.00 -0.78 2.10 -1.77 -1.12 116.57 116.03 1uem h LYS 29 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1uem h LYS 29 Cb 0.00 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.10 1uem h LYS 29 CO 0.00 0.68 -0.11 0.09 -2.00 0.00 0.00 179.45 178.11 1uem n ASN 30 N -4.57 0.36 -4.01 7.07 3.02 -1.26 -2.67 115.26 113.20 1uem n ASN 30 Ca 0.13 -1.44 -0.08 0.00 -0.03 0.00 0.00 54.58 53.16 1uem n ASN 30 Cb 0.16 -0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.17 1uem n ASN 30 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1uem s SER 31 N -0.47 0.36 -0.17 6.41 0.01 -1.26 -1.28 113.70 117.29 1uem s SER 31 Ca 0.01 -0.83 -0.12 0.00 1.31 0.00 0.00 55.95 56.33 1uem s SER 31 Cb 0.01 0.22 0.05 0.00 0.21 0.00 0.00 66.02 66.52 1uem s SER 31 CO 0.00 -0.59 0.43 0.54 0.41 0.00 0.00 173.24 174.03 1uem s VAL 32 N -3.52 -0.01 -0.05 3.43 0.11 -0.53 -1.00 120.40 118.84 1uem s VAL 32 Ca 0.03 0.05 -0.24 0.00 -2.93 0.00 0.00 61.98 58.89 1uem s VAL 32 Cb 0.05 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1uem s VAL 32 CO -0.09 0.02 0.74 -0.89 -3.33 0.00 0.00 175.10 171.56 1uem s THR 33 N 0.92 5.00 0.03 5.04 2.01 0.52 -0.29 115.64 128.88 1uem s THR 33 Ca -0.06 1.54 0.03 0.00 0.31 0.00 0.00 61.69 63.51 1uem s THR 33 Cb -0.06 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 1uem s THR 33 CO -0.07 0.25 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.31 1uem s LEU 34 N 0.77 3.35 -0.27 4.42 1.43 -0.48 -1.18 118.68 126.72 1uem s LEU 34 Ca 0.39 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1uem s LEU 34 Cb -0.18 -1.97 0.12 0.00 0.03 0.00 0.00 46.19 44.18 1uem s LEU 34 CO 0.20 0.25 0.23 -0.44 0.23 0.00 0.00 176.35 176.82 1uem s SER 35 N -1.73 2.09 0.26 2.29 0.01 0.45 -1.40 113.70 115.68 1uem s SER 35 Ca 0.20 -0.77 0.12 0.00 1.31 0.00 0.00 55.95 56.81 1uem s SER 35 Cb -0.11 0.25 -0.05 0.00 0.21 0.00 0.00 66.02 66.32 1uem s SER 35 CO 0.11 -0.39 -0.21 -1.66 0.41 0.00 0.00 173.24 171.51 1uem s TRP 36 N 2.28 2.30 0.09 2.43 -2.14 -0.77 -0.30 118.94 122.84 1uem s TRP 36 Ca 0.09 -0.33 -0.28 0.00 2.66 0.00 0.00 56.10 58.23 1uem s TRP 36 Cb -0.15 -1.03 -0.06 0.00 -3.10 0.00 0.00 33.47 29.14 1uem s TRP 36 CO -0.29 0.67 0.89 -0.65 -2.66 0.00 0.00 176.95 174.91 1uem s GLN 37 N -3.33 4.63 0.70 3.25 -1.52 -1.26 -4.83 119.66 117.30 1uem s GLN 37 Ca 0.28 1.31 -0.13 0.00 -1.95 0.00 0.00 55.36 54.87 1uem s GLN 37 Cb -0.06 -3.37 0.02 0.00 -0.22 0.00 0.00 33.01 29.39 1uem s GLN 37 CO 0.14 0.26 1.09 -1.25 -0.25 0.00 0.00 175.29 175.28 1uem s PRO 38 N -0.09 2.68 0.44 2.91 0.04 -1.26 -2.43 135.00 137.30 1uem s PRO 38 Ca 0.43 1.20 0.04 0.00 0.04 0.00 0.00 61.00 62.71 1uem s PRO 38 Cb -0.22 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.45 1uem s PRO 38 CO 0.27 -1.32 0.61 0.41 0.04 0.00 0.00 177.00 177.02 1uem n GLY 39 N -1.11 1.38 3.83 0.56 0.00 -1.26 -4.73 105.19 103.86 1uem n GLY 39 Ca 0.09 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 1uem n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uem s THR 40 N -1.72 4.47 0.00 2.61 2.01 -1.25 -4.89 115.64 116.86 1uem s THR 40 Ca 0.43 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.78 1uem s THR 40 Cb -0.03 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1uem s THR 40 CO 0.28 -0.34 0.00 -0.81 -0.69 0.00 0.00 174.62 173.06 1uem n PRO 41 N -0.71 -0.14 0.00 4.92 -0.04 -1.26 -0.72 135.00 137.06 1uem n PRO 41 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1uem n PRO 41 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1uem n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uem n GLY 42 N 3.78 0.91 0.15 0.55 0.00 -1.26 -4.43 105.19 104.88 1uem n GLY 42 Ca 0.00 0.38 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 1uem n GLY 42 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1uem h THR 43 N 0.00 1.27 -3.03 2.61 1.35 -1.87 -3.47 112.91 109.76 1uem h THR 43 Ca 0.00 -0.95 -0.42 0.00 -0.55 0.00 0.00 66.41 64.50 1uem h THR 43 Cb 0.00 1.43 -0.14 0.00 -1.73 0.00 0.00 68.15 67.71 1uem h THR 43 CO 0.00 0.29 -0.70 -0.76 -0.25 0.00 0.00 175.52 174.10 1uem s LEU 44 N -9.44 2.46 0.38 3.87 1.43 -1.26 -5.13 118.68 110.98 1uem s LEU 44 Ca -0.14 -1.10 -0.25 0.00 -1.03 0.00 0.00 54.13 51.62 1uem s LEU 44 Cb 0.07 -0.51 -0.09 0.00 0.03 0.00 0.00 46.19 45.69 1uem s LEU 44 CO 0.75 -0.32 1.03 -2.16 0.23 0.00 0.00 176.35 175.88 1uem s PRO 45 N -3.73 4.28 0.81 1.29 0.04 -1.26 -4.93 135.00 131.50 1uem s PRO 45 Ca 0.24 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 62.66 1uem s PRO 45 Cb 0.02 -2.64 0.08 0.00 0.04 0.00 0.00 34.50 32.01 1uem s PRO 45 CO 0.07 -0.03 1.14 0.00 0.04 0.00 0.00 177.00 178.21 1uem s ALA 46 N -1.62 1.95 0.00 8.56 0.00 -1.26 -4.24 121.76 125.15 1uem s ALA 46 Ca 0.55 0.54 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1uem s ALA 46 Cb -0.22 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1uem s ALA 46 CO 0.28 -2.12 0.00 0.43 0.00 0.00 0.00 175.76 174.35 1uem n SER 47 N -3.53 0.67 -0.63 0.00 7.64 0.10 -4.92 113.62 112.95 1uem n SER 47 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1uem n SER 47 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1uem n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uem n ALA 48 N -2.80 0.00 -2.33 -0.43 0.00 -1.22 -5.00 120.51 108.74 1uem n ALA 48 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1uem n ALA 48 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 1uem n ALA 48 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1uem s TYR 49 N -5.27 1.60 0.12 0.00 1.51 0.78 0.06 117.35 116.14 1uem s TYR 49 Ca 0.00 -0.72 0.07 0.00 -1.01 0.00 0.00 57.07 55.41 1uem s TYR 49 Cb 0.00 -0.83 -0.04 0.00 -0.11 0.00 0.00 41.96 40.98 1uem s TYR 49 CO 0.00 0.18 -0.18 0.42 -1.11 0.00 0.00 175.55 174.86 1uem s ILE 50 N -3.17 1.56 -0.23 2.71 1.01 0.50 -0.94 121.20 122.63 1uem s ILE 50 Ca 0.23 -1.63 -0.04 0.00 0.00 0.00 0.00 60.65 59.22 1uem s ILE 50 Cb 0.02 -1.54 0.08 0.00 0.01 0.00 0.00 42.46 41.03 1uem s ILE 50 CO 0.06 -0.22 0.09 -0.63 0.00 0.00 0.00 174.94 174.25 1uem s ILE 51 N -1.59 0.16 -0.14 2.92 1.01 -0.29 -1.31 121.20 121.96 1uem s ILE 51 Ca 0.08 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 1uem s ILE 51 Cb -0.08 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 1uem s ILE 51 CO 0.04 -0.48 0.12 -1.61 0.00 0.00 0.00 174.94 173.01 1uem s GLU 52 N 2.01 3.62 0.34 2.79 2.02 -0.13 -1.38 118.70 127.97 1uem s GLU 52 Ca 0.05 -0.20 0.08 0.00 0.02 0.00 0.00 54.97 54.92 1uem s GLU 52 Cb -0.16 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 1uem s GLU 52 CO -0.21 0.61 0.17 0.00 0.02 0.00 0.00 175.26 175.85 1uem s ALA 53 N -0.55 3.56 0.02 5.21 0.00 0.66 -0.55 121.76 130.10 1uem s ALA 53 Ca 0.12 -1.81 0.01 0.00 0.00 0.00 0.00 51.96 50.29 1uem s ALA 53 Cb -0.12 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 1uem s ALA 53 CO 0.02 0.02 -0.04 0.12 0.00 0.00 0.00 175.76 175.88 1uem s PHE 54 N -2.41 0.37 -0.23 0.00 2.19 -0.27 -0.41 117.98 117.22 1uem s PHE 54 Ca 0.38 -0.29 -0.08 0.00 0.33 0.00 0.00 56.93 57.27 1uem s PHE 54 Cb -0.03 -0.23 0.10 0.00 -1.31 0.00 0.00 43.02 41.55 1uem s PHE 54 CO 0.23 -0.07 0.49 0.45 1.83 0.00 0.00 175.22 178.15 1uem s SER 55 N -0.83 -0.51 0.54 6.13 0.15 -1.24 -1.23 113.70 116.71 1uem s SER 55 Ca -0.06 1.15 0.35 0.00 0.70 0.00 0.00 55.95 58.09 1uem s SER 55 Cb -0.06 1.63 1.66 0.00 -1.71 0.00 0.00 66.02 67.54 1uem s SER 55 CO -0.00 -0.23 2.06 0.06 1.20 0.00 0.00 173.24 176.33 1uem h GLN 56 N 8.12 0.00 -0.55 5.44 3.07 -1.88 0.13 115.11 129.45 1uem h GLN 56 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.58 1uem h GLN 56 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 1uem h GLN 56 CO 0.12 0.00 0.00 0.45 0.09 0.00 0.00 178.83 179.49 1uem n SER 57 N -2.94 2.94 0.07 0.06 2.88 -1.26 -4.36 113.62 111.02 1uem n SER 57 Ca -0.01 -2.16 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 1uem n SER 57 Cb 0.20 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1uem n SER 57 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1uem n VAL 58 N 0.75 0.96 -3.64 2.46 0.31 -0.13 -5.10 118.33 113.93 1uem n VAL 58 Ca 0.16 0.32 -0.12 0.00 -0.01 0.00 0.00 64.34 64.69 1uem n VAL 58 Cb 0.52 -1.36 -0.07 0.00 -0.91 0.00 0.00 33.84 32.02 1uem n VAL 58 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1uem s SER 59 N -5.77 -0.75 0.42 4.52 0.01 -0.23 -5.03 113.70 106.85 1uem s SER 59 Ca 0.00 1.38 0.29 0.00 1.31 0.00 0.00 55.95 58.94 1uem s SER 59 Cb 0.00 1.37 1.20 0.00 0.21 0.00 0.00 66.02 68.80 1uem s SER 59 CO 0.00 -0.24 1.86 0.78 0.41 0.00 0.00 173.24 176.06 1uem h ASN 60 N 5.54 0.00 -3.94 2.44 2.35 -1.78 -3.31 115.58 116.88 1uem h ASN 60 Ca -0.29 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 54.94 1uem h ASN 60 Cb 1.18 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.61 1uem h ASN 60 CO 0.10 0.00 0.55 -0.44 -1.65 0.00 0.00 177.43 176.00 1uem s SER 61 N -5.01 6.44 0.45 5.81 0.01 -1.26 -4.96 113.70 115.16 1uem s SER 61 Ca 0.03 2.49 -0.24 0.00 1.31 0.00 0.00 55.95 59.54 1uem s SER 61 Cb 0.09 -2.63 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 1uem s SER 61 CO 0.47 -0.75 1.24 0.26 0.41 0.00 0.00 173.24 174.87 1uem s TRP 62 N -1.33 2.80 -0.16 2.43 0.52 -1.26 -4.70 118.94 117.23 1uem s TRP 62 Ca 0.57 1.47 0.00 0.00 0.02 0.00 0.00 56.10 58.16 1uem s TRP 62 Cb -0.34 -3.54 0.03 0.00 -1.15 0.00 0.00 33.47 28.47 1uem s TRP 62 CO 0.44 -1.88 -0.11 -0.65 0.02 0.00 0.00 176.95 174.76 1uem s GLN 63 N -2.52 2.03 -0.86 4.98 -1.52 0.45 -4.94 119.66 117.28 1uem s GLN 63 Ca 0.62 -0.58 -0.25 0.00 -1.95 0.00 0.00 55.36 53.20 1uem s GLN 63 Cb -0.34 -2.10 0.00 0.00 -0.22 0.00 0.00 33.01 30.36 1uem s GLN 63 CO 0.42 -0.31 1.65 0.99 -0.25 0.00 0.00 175.29 177.79 1uem s THR 64 N 1.51 3.64 -0.44 -0.19 2.01 -1.26 -0.24 115.64 120.66 1uem s THR 64 Ca 0.03 -0.27 0.23 0.00 0.31 0.00 0.00 61.69 62.00 1uem s THR 64 Cb -0.14 -4.50 0.06 0.00 0.01 0.00 0.00 72.50 67.93 1uem s THR 64 CO -0.09 -1.43 1.23 -0.37 -0.69 0.00 0.00 174.62 173.27 1uem h VAL 65 N 6.83 0.00 -3.45 3.82 -1.51 -1.57 -3.44 116.25 116.93 1uem h VAL 65 Ca 0.01 -0.77 -0.14 0.00 -1.23 0.00 0.00 66.70 64.56 1uem h VAL 65 Cb 1.04 1.36 -0.21 0.00 -2.13 0.00 0.00 31.29 31.35 1uem h VAL 65 CO 1.30 0.00 -0.47 0.00 -1.23 0.00 0.00 177.57 177.17 1uem s ALA 66 N -3.26 -0.38 0.02 5.19 0.00 -0.90 -4.87 121.76 117.56 1uem s ALA 66 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1uem s ALA 66 Cb 0.11 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1uem s ALA 66 CO 0.75 -0.21 -0.04 1.21 0.00 0.00 0.00 175.76 177.47 1uem s ASN 67 N -1.31 0.35 -1.21 0.00 3.84 -1.26 -1.14 114.94 114.21 1uem s ASN 67 Ca -0.14 -0.41 -0.01 0.00 0.21 0.00 0.00 52.86 52.51 1uem s ASN 67 Cb -0.07 0.06 -0.01 0.00 -0.55 0.00 0.00 41.25 40.69 1uem s ASN 67 CO 0.02 -0.22 0.90 1.41 -2.79 0.00 0.00 177.10 176.42 1uem n HIS 68 N 1.87 -2.13 -2.89 0.43 8.25 -0.13 -4.97 115.22 115.65 1uem n HIS 68 Ca -0.21 0.89 -0.40 0.00 -0.26 0.00 0.00 57.72 57.74 1uem n HIS 68 Cb 0.56 -4.76 -0.06 0.00 1.12 0.00 0.00 29.99 26.86 1uem n HIS 68 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1uem s VAL 69 N -3.46 4.32 -0.18 1.59 1.01 -0.12 -4.79 120.40 118.77 1uem s VAL 69 Ca 0.06 1.84 0.14 0.00 0.00 0.00 0.00 61.98 64.02 1uem s VAL 69 Cb -0.01 -4.21 0.38 0.00 0.00 0.00 0.00 36.38 32.54 1uem s VAL 69 CO 0.76 0.49 1.22 0.29 0.00 0.00 0.00 175.10 177.85 1uem n LYS 70 N 1.76 1.53 -4.15 2.72 5.02 -1.26 -0.16 118.16 123.62 1uem n LYS 70 Ca -0.04 -2.98 -0.13 0.00 -2.02 0.00 0.00 58.31 53.15 1uem n LYS 70 Cb 0.48 -1.59 -0.08 0.00 -0.02 0.00 0.00 35.03 33.82 1uem n LYS 70 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1uem s THR 71 N -3.07 0.00 -2.26 -0.18 -1.32 -1.26 -5.06 115.64 102.49 1uem s THR 71 Ca 0.36 -1.80 0.20 0.00 -1.21 0.00 0.00 61.69 59.23 1uem s THR 71 Cb 0.33 -2.46 0.25 0.00 -1.51 0.00 0.00 72.50 69.11 1uem s THR 71 CO -0.02 0.00 1.21 0.35 -2.21 0.00 0.00 174.62 173.95 1uem n THR 72 N -0.41 0.25 -3.64 5.08 -2.24 -1.26 -4.90 114.28 107.17 1uem n THR 72 Ca 0.02 -0.63 -0.23 0.00 -2.27 0.00 0.00 64.05 60.94 1uem n THR 72 Cb 0.64 1.18 -0.17 0.00 -2.10 0.00 0.00 70.33 69.87 1uem n THR 72 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1uem s LEU 73 N -1.48 0.24 -0.11 3.22 2.96 -1.26 -1.84 118.68 120.41 1uem s LEU 73 Ca 0.28 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 1uem s LEU 73 Cb 0.18 -0.19 0.06 0.00 0.50 0.00 0.00 46.19 46.74 1uem s LEU 73 CO 0.25 -0.30 0.23 -0.47 -1.32 0.00 0.00 176.35 174.74 1uem s TYR 74 N 2.16 -0.33 -0.54 5.38 5.04 -0.49 -4.98 117.35 123.58 1uem s TYR 74 Ca 0.03 0.83 -0.27 0.00 -2.44 0.00 0.00 57.07 55.23 1uem s TYR 74 Cb -0.14 -0.10 -0.03 0.00 0.35 0.00 0.00 41.96 42.03 1uem s TYR 74 CO -0.06 -0.31 2.01 0.99 -1.34 0.00 0.00 175.55 176.83 1uem s THR 75 N 2.27 3.27 0.47 4.34 2.01 -1.26 -1.38 115.64 125.35 1uem s THR 75 Ca 0.01 0.18 -0.24 0.00 0.31 0.00 0.00 61.69 61.95 1uem s THR 75 Cb -0.12 -3.64 -0.07 0.00 0.01 0.00 0.00 72.50 68.68 1uem s THR 75 CO -0.08 -0.59 1.29 -0.69 -0.69 0.00 0.00 174.62 173.86 1uem s VAL 76 N 9.65 2.55 0.35 3.82 1.01 0.60 -4.88 120.40 133.50 1uem s VAL 76 Ca 0.77 0.44 0.06 0.00 0.00 0.00 0.00 61.98 63.26 1uem s VAL 76 Cb -0.15 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1uem s VAL 76 CO 0.24 0.03 0.23 -0.13 0.00 0.00 0.00 175.10 175.46 1uem s ARG 77 N -2.59 1.79 -0.10 2.72 0.52 -1.26 -1.45 118.95 118.58 1uem s ARG 77 Ca 0.63 -2.06 0.00 0.00 -0.52 0.00 0.00 55.73 53.79 1uem s ARG 77 Cb -0.37 0.04 0.00 0.00 0.52 0.00 0.00 34.95 35.14 1uem s ARG 77 CO 0.45 -0.59 0.00 0.41 0.02 0.00 0.00 175.30 175.59 1uem n GLY 78 N -0.70 0.49 1.09 -3.53 0.00 -1.04 -4.93 105.19 96.57 1uem n GLY 78 Ca 0.03 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 1uem n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uem n LEU 79 N -0.11 0.00 -4.52 0.99 4.77 -0.41 -5.07 117.00 112.65 1uem n LEU 79 Ca -0.01 -0.47 -0.31 0.00 -0.03 0.00 0.00 56.01 55.19 1uem n LEU 79 Cb 0.05 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 40.78 1uem n LEU 79 CO 0.01 -0.72 -0.45 -0.13 -1.33 0.00 0.00 177.39 174.77 1uem s ARG 80 N -3.60 2.16 0.54 3.23 0.52 -1.26 -4.73 118.95 115.80 1uem s ARG 80 Ca 0.20 -0.96 -0.17 0.00 -0.52 0.00 0.00 55.73 54.29 1uem s ARG 80 Cb -0.01 -2.28 -0.07 0.00 0.52 0.00 0.00 34.95 33.12 1uem s ARG 80 CO 0.14 0.54 1.01 -1.25 0.02 0.00 0.00 175.30 175.76 1uem s PRO 81 N -1.70 3.73 -1.55 3.54 0.04 -1.09 -3.75 135.00 134.22 1uem s PRO 81 Ca 0.17 1.07 -0.09 0.00 0.04 0.00 0.00 61.00 62.19 1uem s PRO 81 Cb -0.11 -2.10 0.08 0.00 0.04 0.00 0.00 34.50 32.41 1uem s PRO 81 CO 0.08 -0.46 0.61 -1.71 0.04 0.00 0.00 177.00 175.56 1uem n ASN 82 N -1.67 -1.90 -4.03 6.66 5.15 -0.86 -4.97 115.26 113.64 1uem n ASN 82 Ca 0.07 -1.00 -0.21 0.00 -0.60 0.00 0.00 54.58 52.84 1uem n ASN 82 Cb 0.54 -2.92 -0.15 0.00 -0.53 0.00 0.00 39.78 36.71 1uem n ASN 82 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1uem s THR 83 N -3.63 0.90 0.42 -0.44 2.01 -1.25 -4.94 115.64 108.71 1uem s THR 83 Ca 0.38 -0.43 -0.23 0.00 0.31 0.00 0.00 61.69 61.71 1uem s THR 83 Cb -0.20 -0.79 -0.09 0.00 0.01 0.00 0.00 72.50 71.43 1uem s THR 83 CO 0.91 0.27 1.07 -0.63 -0.69 0.00 0.00 174.62 175.55 1uem s ILE 84 N 0.11 3.62 0.04 1.82 -1.09 -1.26 -2.05 121.20 122.38 1uem s ILE 84 Ca -0.02 1.20 0.02 0.00 -2.23 0.00 0.00 60.65 59.62 1uem s ILE 84 Cb -0.08 -3.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.18 1uem s ILE 84 CO 0.01 -0.03 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.30 1uem s TYR 85 N -1.68 0.66 0.27 3.97 2.02 -0.23 -4.60 117.35 117.75 1uem s TYR 85 Ca 0.60 -0.44 0.08 0.00 -0.37 0.00 0.00 57.07 56.94 1uem s TYR 85 Cb -0.22 -0.40 -0.04 0.00 -0.40 0.00 0.00 41.96 40.90 1uem s TYR 85 CO 0.28 -0.07 0.12 -0.51 -1.57 0.00 0.00 175.55 173.80 1uem s LEU 86 N -1.39 3.50 -0.03 -1.29 1.43 -0.36 -2.15 118.68 118.38 1uem s LEU 86 Ca -0.08 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.48 1uem s LEU 86 Cb -0.09 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1uem s LEU 86 CO 0.00 -0.08 0.13 -0.36 0.23 0.00 0.00 176.35 176.27 1uem s PHE 87 N -2.25 -0.08 -0.05 0.29 0.08 -1.26 -1.11 117.98 113.60 1uem s PHE 87 Ca 0.34 0.19 -0.00 0.00 0.12 0.00 0.00 56.93 57.57 1uem s PHE 87 Cb -0.06 0.01 0.03 0.00 -0.57 0.00 0.00 43.02 42.42 1uem s PHE 87 CO 0.23 -0.13 -0.00 -1.64 -0.10 0.00 0.00 175.22 173.57 1uem s MET 88 N -0.39 0.46 0.08 0.44 -1.94 0.28 -1.63 119.30 116.60 1uem s MET 88 Ca -0.05 0.08 -0.09 0.00 -1.71 0.00 0.00 55.69 53.93 1uem s MET 88 Cb -0.03 -0.71 -0.06 0.00 2.01 0.00 0.00 34.83 36.05 1uem s MET 88 CO 0.00 -0.20 0.39 0.08 -0.01 0.00 0.00 175.02 175.28 1uem s VAL 89 N 1.42 5.12 -0.06 -6.03 1.01 -1.26 -0.95 120.40 119.64 1uem s VAL 89 Ca -0.04 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1uem s VAL 89 Cb -0.13 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1uem s VAL 89 CO -0.03 0.26 -0.08 -0.13 0.00 0.00 0.00 175.10 175.12 1uem s ARG 90 N -2.01 1.25 -0.16 2.72 0.52 -0.42 -3.12 118.95 117.73 1uem s ARG 90 Ca 0.34 -0.24 -0.23 0.00 -0.52 0.00 0.00 55.73 55.08 1uem s ARG 90 Cb -0.14 -1.14 -0.02 0.00 0.52 0.00 0.00 34.95 34.17 1uem s ARG 90 CO 0.19 -0.06 0.70 0.00 0.02 0.00 0.00 175.30 176.15 1uem s ALA 91 N 0.91 3.49 0.28 2.13 0.00 -1.26 -0.37 121.76 126.94 1uem s ALA 91 Ca -0.11 -0.08 -0.16 0.00 0.00 0.00 0.00 51.96 51.61 1uem s ALA 91 Cb -0.15 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 1uem s ALA 91 CO 0.01 -0.47 0.71 0.42 0.00 0.00 0.00 175.76 176.43 1uem s ILE 92 N 1.71 4.67 0.38 0.00 1.01 0.11 -0.23 121.20 128.85 1uem s ILE 92 Ca 0.34 1.00 0.06 0.00 0.00 0.00 0.00 60.65 62.05 1uem s ILE 92 Cb -0.16 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 1uem s ILE 92 CO 0.13 -0.05 0.23 0.54 0.00 0.00 0.00 174.94 175.78 1uem s ASN 93 N -2.09 2.28 0.00 3.58 4.22 -0.72 -0.73 114.94 121.48 1uem s ASN 93 Ca 0.50 -1.77 0.23 0.00 -2.14 0.00 0.00 52.86 49.69 1uem s ASN 93 Cb -0.12 0.59 1.40 0.00 1.28 0.00 0.00 41.25 44.39 1uem s ASN 93 CO 0.19 -1.04 1.77 -0.81 -2.04 0.00 0.00 177.10 175.16 1uem n PRO 94 N -0.78 0.73 -0.02 3.55 -0.04 -1.26 -3.62 135.00 133.56 1uem n PRO 94 Ca 0.02 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 1uem n PRO 94 Cb 0.63 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 1uem n PRO 94 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1uem n GLN 95 N -1.00 0.81 0.00 0.54 1.13 -1.26 -5.12 117.38 112.48 1uem n GLN 95 Ca 0.17 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1uem n GLN 95 Cb 0.08 -1.09 0.00 0.00 0.11 0.00 0.00 30.24 29.35 1uem n GLN 95 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1uem n GLY 96 N 3.19 3.37 3.13 1.08 0.00 -1.24 -5.18 105.19 109.54 1uem n GLY 96 Ca -0.07 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1uem n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uem s LEU 97 N 0.00 2.03 0.89 0.99 0.05 -1.26 -1.76 118.68 119.62 1uem s LEU 97 Ca 0.00 -0.83 -0.12 0.00 0.05 0.00 0.00 54.13 53.23 1uem s LEU 97 Cb 0.00 0.54 0.13 0.00 -2.05 0.00 0.00 46.19 44.81 1uem s LEU 97 CO 0.00 -0.64 1.10 -0.94 -0.55 0.00 0.00 176.35 175.32 1uem s SER 98 N -2.82 3.59 0.52 1.48 1.04 0.68 -4.84 113.70 113.35 1uem s SER 98 Ca 0.05 1.30 -0.20 0.00 0.48 0.00 0.00 55.95 57.58 1uem s SER 98 Cb 0.06 -1.97 -0.10 0.00 0.10 0.00 0.00 66.02 64.11 1uem s SER 98 CO -0.10 -2.54 0.54 0.47 0.98 0.00 0.00 173.24 172.60 1uem n ASP 99 N -3.80 -0.92 -4.72 7.02 8.00 -1.26 -4.77 116.55 116.10 1uem n ASP 99 Ca 0.07 0.80 -0.42 0.00 0.71 0.00 0.00 54.79 55.95 1uem n ASP 99 Cb 0.57 -1.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 1uem n ASP 99 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1uem s PRO 100 N -1.91 4.31 0.98 -0.24 0.04 -1.26 -4.66 135.00 132.26 1uem s PRO 100 Ca 0.66 2.12 -0.13 0.00 0.04 0.00 0.00 61.00 63.70 1uem s PRO 100 Cb -0.50 -3.23 0.09 0.00 0.04 0.00 0.00 34.50 30.90 1uem s PRO 100 CO 0.56 -0.46 0.57 -1.13 0.04 0.00 0.00 177.00 176.58 1uem n SER 101 N 3.90 -1.53 -4.66 6.66 3.41 -1.18 -4.98 113.62 115.24 1uem n SER 101 Ca 0.12 0.26 -0.44 0.00 -0.26 0.00 0.00 58.87 58.55 1uem n SER 101 Cb 0.42 -1.24 -0.02 0.00 -0.26 0.00 0.00 64.21 63.11 1uem n SER 101 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1uem n PRO 102 N -2.55 1.90 -1.67 4.33 -0.02 -1.26 -4.81 135.00 130.91 1uem n PRO 102 Ca 0.07 0.67 -0.37 0.00 -2.02 0.00 0.00 63.50 61.85 1uem n PRO 102 Cb 0.54 -2.23 0.07 0.00 -0.02 0.00 0.00 33.50 31.86 1uem n PRO 102 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1uem n MET 103 N 1.09 1.01 0.00 -0.52 2.81 -1.26 -4.41 117.12 115.84 1uem n MET 103 Ca 0.08 0.40 0.02 0.00 -1.81 0.00 0.00 57.70 56.39 1uem n MET 103 Cb 0.33 -2.43 0.13 0.00 -0.71 0.00 0.00 33.22 30.54 1uem n MET 103 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1uem n SER 104 N -1.67 0.00 -1.28 7.83 3.41 -0.65 -4.83 113.62 116.44 1uem n SER 104 Ca 0.15 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1uem n SER 104 Cb 0.48 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1uem n SER 104 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1uem n ASP 105 N -1.23 -6.88 -4.55 4.04 -0.08 -1.26 -4.78 116.55 101.80 1uem n ASP 105 Ca 0.03 1.52 -0.39 0.00 -1.51 0.00 0.00 54.79 54.44 1uem n ASP 105 Cb 0.03 -3.94 -0.03 0.00 2.34 0.00 0.00 41.12 39.52 1uem n ASP 105 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1uem s PRO 106 N -5.14 2.87 0.56 -0.67 0.04 -1.26 -4.73 135.00 126.66 1uem s PRO 106 Ca 0.00 0.17 -0.16 0.00 0.04 0.00 0.00 61.00 61.05 1uem s PRO 106 Cb 0.00 -4.39 -0.05 0.00 0.04 0.00 0.00 34.50 30.10 1uem s PRO 106 CO 0.00 -2.53 1.02 0.54 0.04 0.00 0.00 177.00 176.07 1uem s VAL 107 N 7.73 4.23 0.10 -0.36 0.11 -0.92 -4.85 120.40 126.45 1uem s VAL 107 Ca 0.54 1.02 0.05 0.00 -2.93 0.00 0.00 61.98 60.67 1uem s VAL 107 Cb -0.10 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 31.13 1uem s VAL 107 CO 0.16 -0.66 0.03 -0.60 -3.33 0.00 0.00 175.10 170.70 1uem s ARG 108 N -4.20 2.62 0.81 1.54 6.06 -1.26 -1.07 118.95 123.46 1uem s ARG 108 Ca 0.60 -0.84 -0.12 0.00 -2.50 0.00 0.00 55.73 52.87 1uem s ARG 108 Cb -0.13 -2.56 0.08 0.00 0.06 0.00 0.00 34.95 32.40 1uem s ARG 108 CO 0.36 0.53 1.14 0.95 -2.50 0.00 0.00 175.30 175.78 1uem s THR 109 N -1.41 2.49 1.04 4.11 -4.23 -0.87 -4.96 115.64 111.81 1uem s THR 109 Ca 0.27 0.16 -0.17 0.00 -1.18 0.00 0.00 61.69 60.77 1uem s THR 109 Cb -0.11 -3.04 0.23 0.00 1.34 0.00 0.00 72.50 70.92 1uem s THR 109 CO 0.19 -0.21 1.28 -1.10 -0.54 0.00 0.00 174.62 174.25 1uem s GLN 110 N -5.38 0.02 0.72 3.99 -0.21 -0.42 -3.91 119.66 114.47 1uem s GLN 110 Ca 0.61 -0.38 -0.10 0.00 0.02 0.00 0.00 55.36 55.51 1uem s GLN 110 Cb -0.13 -1.77 0.04 0.00 1.00 0.00 0.00 33.01 32.15 1uem s GLN 110 CO 0.52 -2.83 1.08 0.34 -2.12 0.00 0.00 175.29 172.27 1uem s ASP 111 N -4.68 5.08 0.00 5.90 -1.08 -1.26 -2.04 116.67 118.58 1uem s ASP 111 Ca 0.74 0.85 0.19 0.00 -0.52 0.00 0.00 52.55 53.81 1uem s ASP 111 Cb -0.04 -1.56 0.15 0.00 -1.46 0.00 0.00 42.92 40.01 1uem s ASP 111 CO 0.54 -1.51 1.11 -0.24 0.52 0.00 0.00 175.17 175.58 1uem n SER 112 N -3.02 2.58 -4.61 -0.34 2.88 -1.26 -4.28 113.62 105.56 1uem n SER 112 Ca 0.07 -1.79 -0.43 0.00 -1.33 0.00 0.00 58.87 55.39 1uem n SER 112 Cb 0.59 0.02 -0.03 0.00 -0.75 0.00 0.00 64.21 64.04 1uem n SER 112 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uem s GLY 113 N -1.64 0.72 -1.30 0.46 0.00 -1.26 -4.89 107.32 99.41 1uem s GLY 113 Ca 0.22 0.89 -0.18 0.00 0.00 0.00 0.00 44.72 45.66 1uem s GLY 113 CO 0.25 3.73 1.74 -1.55 0.00 0.00 0.00 173.10 177.27 1uem n PRO 114 N 8.49 3.20 -4.25 2.90 -0.04 -1.26 -4.89 135.00 139.14 1uem n PRO 114 Ca 0.28 -3.28 -0.18 0.00 -0.04 0.00 0.00 63.50 60.28 1uem n PRO 114 Cb 0.44 -3.49 -0.15 0.00 -0.04 0.00 0.00 33.50 30.26 1uem n PRO 114 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uem s SER 115 N 4.20 0.87 0.07 3.54 0.15 -1.26 -5.15 113.70 116.12 1uem s SER 115 Ca 0.54 -0.13 -0.27 0.00 0.70 0.00 0.00 55.95 56.79 1uem s SER 115 Cb 0.04 -0.16 0.08 0.00 -1.71 0.00 0.00 66.02 64.27 1uem s SER 115 CO 0.08 0.06 0.90 -0.44 1.20 0.00 0.00 173.24 175.04 1uem s SER 116 N 0.04 -0.29 0.00 5.45 0.01 -1.26 -5.18 113.70 112.46 1uem s SER 116 Ca -0.00 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1uem s SER 116 Cb -0.05 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1uem s SER 116 CO -0.00 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.50