#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uem n SER 2 N 0.00 -7.77 -3.17 1.61 2.88 -1.26 -5.09 113.62 100.82 1uem n SER 2 Ca 0.00 0.61 -0.06 0.00 -1.33 0.00 0.00 58.87 58.09 1uem n SER 2 Cb 0.00 -4.09 0.02 0.00 -0.75 0.00 0.00 64.21 59.39 1uem n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uem s SER 3 N -6.60 0.00 0.00 -3.46 0.01 -1.26 -5.17 113.70 97.23 1uem s SER 3 Ca 0.00 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1uem s SER 3 Cb 0.00 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1uem s SER 3 CO 0.00 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 172.95 1uem n GLY 4 N -0.62 -2.19 3.38 3.44 0.00 -1.26 -5.01 105.19 102.93 1uem n GLY 4 Ca -0.05 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 1uem n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uem s SER 5 N -3.38 -0.48 -0.01 1.61 0.01 -1.26 -5.17 113.70 105.02 1uem s SER 5 Ca 0.00 0.82 -0.29 0.00 1.31 0.00 0.00 55.95 57.79 1uem s SER 5 Cb 0.00 0.85 0.10 0.00 0.21 0.00 0.00 66.02 67.18 1uem s SER 5 CO 0.00 -0.26 1.28 -0.44 0.41 0.00 0.00 173.24 174.23 1uem s SER 6 N -0.14 -0.01 0.00 2.44 0.01 -1.26 -5.13 113.70 109.61 1uem s SER 6 Ca -0.03 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1uem s SER 6 Cb -0.03 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1uem s SER 6 CO 0.02 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1uem n GLY 7 N -0.77 2.18 3.97 3.44 0.00 -1.26 -5.05 105.19 107.70 1uem n GLY 7 Ca -0.00 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1uem n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uem s LYS 8 N 0.00 2.78 -0.31 1.61 3.01 -1.26 -5.11 119.74 120.47 1uem s LYS 8 Ca 0.00 -0.69 -0.00 0.00 -1.01 0.00 0.00 55.97 54.27 1uem s LYS 8 Cb 0.00 -2.54 0.10 0.00 -1.01 0.00 0.00 37.83 34.38 1uem s LYS 8 CO 0.00 -0.49 0.08 1.21 0.51 0.00 0.00 175.35 176.66 1uem s ASN 9 N -4.33 4.11 -0.22 2.83 2.47 -1.26 -5.03 114.94 113.51 1uem s ASN 9 Ca 0.53 -1.68 0.05 0.00 0.42 0.00 0.00 52.86 52.18 1uem s ASN 9 Cb -0.10 -0.99 0.43 0.00 -1.45 0.00 0.00 41.25 39.13 1uem s ASN 9 CO 0.38 -0.40 1.42 -1.22 -3.72 0.00 0.00 177.10 173.56 1uem n TYR 10 N 4.75 1.58 -0.59 0.43 4.01 -1.26 -4.98 117.16 121.10 1uem n TYR 10 Ca -0.02 -0.95 -0.30 0.00 -0.16 0.00 0.00 57.90 56.47 1uem n TYR 10 Cb 0.42 -0.54 0.21 0.00 -0.31 0.00 0.00 39.34 39.12 1uem n TYR 10 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1uem n ASP 11 N -0.14 -1.52 0.00 7.72 8.00 -1.26 -5.06 116.55 124.30 1uem n ASP 11 Ca 0.28 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1uem n ASP 11 Cb 1.04 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 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 -3.70 0.00 -4.11 0.64 4.32 -1.26 -5.07 117.00 107.81 1uem n LEU 12 Ca 0.05 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.88 1uem n LEU 12 Cb 0.55 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.23 1uem n LEU 12 CO 0.54 0.00 -0.43 -0.55 -1.22 0.00 0.00 177.39 175.72 1uem s SER 13 N -1.02 1.28 0.57 -1.43 0.15 -1.26 -5.03 113.70 106.97 1uem s SER 13 Ca 0.00 -0.55 0.37 0.00 0.70 0.00 0.00 55.95 56.47 1uem s SER 13 Cb 0.00 -0.02 1.81 0.00 -1.71 0.00 0.00 66.02 66.10 1uem s SER 13 CO 0.00 -0.11 2.12 0.44 1.20 0.00 0.00 173.24 176.89 1uem h ASP 14 N 4.51 0.00 -4.39 5.45 5.19 -2.00 -3.45 116.42 121.73 1uem h ASP 14 Ca -0.38 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.53 1uem h ASP 14 Cb 1.19 0.00 0.08 0.00 0.18 0.00 0.00 39.33 40.79 1uem h ASP 14 CO 0.41 0.00 0.40 -0.76 -3.12 0.00 0.00 179.24 176.17 1uem s LEU 15 N -5.97 2.98 0.65 1.55 1.43 -1.26 -4.00 118.68 114.07 1uem s LEU 15 Ca -0.02 1.31 -0.18 0.00 -1.03 0.00 0.00 54.13 54.22 1uem s LEU 15 Cb 0.11 -4.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.16 1uem s LEU 15 CO 0.46 -1.32 1.27 -2.84 0.23 0.00 0.00 176.35 174.15 1uem s PRO 16 N -5.23 2.53 0.59 1.29 0.02 -1.26 -4.86 135.00 128.08 1uem s PRO 16 Ca 0.58 2.00 -0.20 0.00 0.02 0.00 0.00 61.00 63.40 1uem s PRO 16 Cb -0.12 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 1uem s PRO 16 CO 0.53 -1.60 1.30 0.41 -0.33 0.00 0.00 177.00 177.31 1uem n GLY 17 N 0.80 0.59 3.77 0.52 0.00 0.56 -4.45 105.19 106.97 1uem n GLY 17 Ca 0.15 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.06 3.66 0.96 1.61 0.04 -1.26 -3.68 135.00 133.28 1uem s PRO 18 Ca 0.76 1.75 -0.12 0.00 0.04 0.00 0.00 61.00 63.44 1uem s PRO 18 Cb -0.40 -2.32 0.17 0.00 0.04 0.00 0.00 34.50 31.98 1uem s PRO 18 CO 0.45 -0.63 1.09 -1.25 0.04 0.00 0.00 177.00 176.71 1uem s PRO 19 N -2.82 0.69 1.04 0.56 0.04 -1.26 -4.00 135.00 129.25 1uem s PRO 19 Ca 0.66 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 1uem s PRO 19 Cb -0.28 -1.73 0.21 0.00 0.04 0.00 0.00 34.50 32.74 1uem s PRO 19 CO 0.33 -2.67 1.08 -1.54 0.04 0.00 0.00 177.00 174.24 1uem s SER 20 N -3.07 2.21 0.01 6.66 1.04 -0.94 -4.35 113.70 115.26 1uem s SER 20 Ca 0.65 1.27 -0.37 0.00 0.48 0.00 0.00 55.95 57.98 1uem s SER 20 Cb -0.20 -1.96 -0.16 0.00 0.10 0.00 0.00 66.02 63.79 1uem s SER 20 CO 0.59 -3.40 1.45 1.17 0.98 0.00 0.00 173.24 174.03 1uem n LYS 21 N -4.36 1.22 -2.29 4.02 4.81 -1.26 -4.59 118.16 115.70 1uem n LYS 21 Ca 0.05 0.44 -0.39 0.00 -0.87 0.00 0.00 58.31 57.54 1uem n LYS 21 Cb 0.56 -2.10 -0.02 0.00 0.02 0.00 0.00 35.03 33.49 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 1.24 4.19 0.66 1.64 0.04 -1.26 -4.75 135.00 136.75 1uem s PRO 22 Ca 0.87 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 63.70 1uem s PRO 22 Cb -0.96 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 30.75 1uem s PRO 22 CO 0.51 -0.22 1.05 -0.65 0.04 0.00 0.00 177.00 177.73 1uem s GLN 23 N -2.09 3.29 -0.28 4.56 -1.52 0.12 -4.69 119.66 119.04 1uem s GLN 23 Ca 0.54 0.68 0.02 0.00 -1.95 0.00 0.00 55.36 54.65 1uem s GLN 23 Cb -0.32 -2.05 0.08 0.00 -0.22 0.00 0.00 33.01 30.50 1uem s GLN 23 CO 0.41 -0.78 -0.00 0.08 -0.25 0.00 0.00 175.29 174.75 1uem s VAL 24 N -3.22 1.72 -0.02 1.09 1.01 -1.26 -2.26 120.40 117.46 1uem s VAL 24 Ca 0.56 -1.65 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1uem s VAL 24 Cb -0.11 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1uem s VAL 24 CO 0.53 -0.34 -0.13 0.35 0.00 0.00 0.00 175.10 175.51 1uem n THR 25 N 4.54 1.06 -4.62 3.92 -2.24 -1.25 -5.05 114.28 110.64 1uem n THR 25 Ca -0.06 0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.66 1uem n THR 25 Cb 0.43 -1.79 -0.12 0.00 -2.10 0.00 0.00 70.33 66.75 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 -5.64 4.53 0.01 3.42 2.15 -1.26 -5.02 116.67 114.86 1uem s ASP 26 Ca -0.11 -0.11 -0.05 0.00 0.43 0.00 0.00 52.55 52.71 1uem s ASP 26 Cb 0.01 -1.36 -0.01 0.00 -0.30 0.00 0.00 42.92 41.27 1uem s ASP 26 CO 0.16 0.28 0.09 0.54 -0.17 0.00 0.00 175.17 176.07 1uem s VAL 27 N -0.34 0.10 0.15 1.11 0.11 -1.26 -0.61 120.40 119.66 1uem s VAL 27 Ca 0.05 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.34 1uem s VAL 27 Cb -0.12 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1uem s VAL 27 CO 0.02 -0.43 0.13 0.35 -3.33 0.00 0.00 175.10 171.84 1uem n THR 28 N 1.43 0.00 0.20 5.04 -2.24 -0.05 -4.90 114.28 113.76 1uem n THR 28 Ca -0.23 -1.13 0.08 0.00 -2.27 0.00 0.00 64.05 60.49 1uem n THR 28 Cb 0.56 0.56 0.37 0.00 -2.10 0.00 0.00 70.33 69.72 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 0.00 0.00 -0.78 2.10 -1.87 -2.21 116.57 113.82 1uem h LYS 29 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1uem h LYS 29 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1uem h LYS 29 CO 0.16 0.30 0.00 0.09 -2.00 0.00 0.00 179.45 178.00 1uem n ASN 30 N -3.43 0.60 -3.83 7.07 5.03 -1.26 -2.42 115.26 117.02 1uem n ASN 30 Ca 0.00 -1.19 -0.10 0.00 0.87 0.00 0.00 54.58 54.17 1uem n ASN 30 Cb 0.49 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.19 1uem n ASN 30 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1uem s SER 31 N -0.19 -0.08 -0.23 6.41 0.01 -1.26 -1.20 113.70 117.17 1uem s SER 31 Ca 0.00 -0.64 -0.18 0.00 1.31 0.00 0.00 55.95 56.43 1uem s SER 31 Cb 0.00 0.47 0.06 0.00 0.21 0.00 0.00 66.02 66.76 1uem s SER 31 CO 0.00 -0.91 0.60 0.54 0.41 0.00 0.00 173.24 173.87 1uem s VAL 32 N -3.90 -0.00 0.25 3.43 0.11 -0.39 -0.87 120.40 119.03 1uem s VAL 32 Ca 0.11 0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.88 1uem s VAL 32 Cb 0.02 -0.84 -0.09 0.00 -1.53 0.00 0.00 36.38 33.94 1uem s VAL 32 CO -0.04 0.00 0.93 -0.89 -3.33 0.00 0.00 175.10 171.77 1uem s THR 33 N 0.72 4.11 0.11 5.04 2.01 0.22 -0.35 115.64 127.50 1uem s THR 33 Ca -0.03 2.02 0.08 0.00 0.31 0.00 0.00 61.69 64.07 1uem s THR 33 Cb -0.05 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 1uem s THR 33 CO -0.05 0.44 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.42 1uem s LEU 34 N -1.32 2.88 -0.02 4.42 1.43 -0.56 -3.83 118.68 121.68 1uem s LEU 34 Ca 0.42 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1uem s LEU 34 Cb -0.25 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.29 1uem s LEU 34 CO 0.30 0.18 -0.01 -0.55 0.23 0.00 0.00 176.35 176.50 1uem s SER 35 N -2.19 0.32 0.21 2.29 0.15 -0.96 -2.35 113.70 111.18 1uem s SER 35 Ca 0.20 -0.03 -0.00 0.00 0.70 0.00 0.00 55.95 56.82 1uem s SER 35 Cb -0.11 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.04 1uem s SER 35 CO 0.12 -0.04 0.13 -1.66 1.20 0.00 0.00 173.24 172.99 1uem s TRP 36 N 0.51 1.24 0.01 3.44 -2.14 -0.65 0.11 118.94 121.46 1uem s TRP 36 Ca -0.05 -1.35 -0.17 0.00 2.66 0.00 0.00 56.10 57.19 1uem s TRP 36 Cb -0.08 -0.63 -0.06 0.00 -3.10 0.00 0.00 33.47 29.61 1uem s TRP 36 CO -0.01 -0.59 0.49 1.14 -2.66 0.00 0.00 176.95 175.32 1uem s GLN 37 N -4.12 4.11 0.33 3.25 1.03 -1.26 -4.81 119.66 118.19 1uem s GLN 37 Ca 0.39 0.56 -0.28 0.00 0.04 0.00 0.00 55.36 56.06 1uem s GLN 37 Cb 0.07 -3.27 -0.10 0.00 0.03 0.00 0.00 33.01 29.74 1uem s GLN 37 CO 0.13 0.57 1.25 -1.25 -2.54 0.00 0.00 175.29 173.45 1uem s PRO 38 N -0.76 4.37 0.64 9.60 0.04 -1.26 -2.21 135.00 145.42 1uem s PRO 38 Ca 0.26 2.10 -0.10 0.00 0.04 0.00 0.00 61.00 63.31 1uem s PRO 38 Cb -0.18 -3.05 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 1uem s PRO 38 CO 0.15 -0.13 1.01 0.20 0.04 0.00 0.00 177.00 178.27 1uem s GLY 39 N -0.63 1.62 0.36 0.56 0.00 -1.26 -4.82 107.32 103.16 1uem s GLY 39 Ca 0.49 -0.37 -0.26 0.00 0.00 0.00 0.00 44.72 44.58 1uem s GLY 39 CO 0.49 -0.06 1.11 -1.59 0.00 0.00 0.00 173.10 173.05 1uem s THR 40 N -3.19 3.45 0.00 0.90 2.01 -1.24 -4.70 115.64 112.87 1uem s THR 40 Ca 0.56 1.26 0.00 0.00 0.31 0.00 0.00 61.69 63.81 1uem s THR 40 Cb -0.11 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1uem s THR 40 CO 0.50 0.15 0.00 -0.81 -0.69 0.00 0.00 174.62 173.77 1uem n PRO 41 N 0.39 -0.69 0.00 4.92 -0.04 -1.26 -0.33 135.00 138.00 1uem n PRO 41 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1uem n PRO 41 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 2.88 -0.63 0.33 0.55 0.00 -1.26 -4.64 105.19 102.42 1uem n GLY 42 Ca 0.00 0.46 0.19 0.00 0.00 0.00 0.00 46.02 46.66 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 0.44 -3.74 2.61 1.35 -1.89 -3.42 112.91 108.26 1uem h THR 43 Ca 0.00 -0.15 -0.28 0.00 -0.55 0.00 0.00 66.41 65.43 1uem h THR 43 Cb 0.00 -0.05 -0.15 0.00 -1.73 0.00 0.00 68.15 66.22 1uem h THR 43 CO 0.00 0.08 -0.67 -0.76 -0.25 0.00 0.00 175.52 173.92 1uem s LEU 44 N -10.41 2.22 0.84 3.87 1.43 -1.26 -5.12 118.68 110.26 1uem s LEU 44 Ca -0.11 -1.13 -0.13 0.00 -1.03 0.00 0.00 54.13 51.74 1uem s LEU 44 Cb 0.28 -0.08 0.10 0.00 0.03 0.00 0.00 46.19 46.52 1uem s LEU 44 CO 0.79 -0.53 1.20 -2.16 0.23 0.00 0.00 176.35 175.88 1uem s PRO 45 N -3.89 1.68 -0.36 1.29 0.04 -1.26 -4.82 135.00 127.67 1uem s PRO 45 Ca 0.21 0.04 -0.06 0.00 0.04 0.00 0.00 61.00 61.23 1uem s PRO 45 Cb 0.06 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.73 1uem s PRO 45 CO 0.02 -1.78 0.15 0.00 0.04 0.00 0.00 177.00 175.43 1uem s ALA 46 N -3.61 3.10 0.10 8.56 0.00 -1.26 -4.30 121.76 124.34 1uem s ALA 46 Ca 0.64 -1.97 -0.24 0.00 0.00 0.00 0.00 51.96 50.38 1uem s ALA 46 Cb -0.10 -2.35 -0.13 0.00 0.00 0.00 0.00 23.12 20.54 1uem s ALA 46 CO 0.50 -1.48 1.71 0.77 0.00 0.00 0.00 175.76 177.26 1uem h SER 47 N 8.21 -0.21 -0.34 0.00 0.02 -1.22 -3.48 113.55 116.53 1uem h SER 47 Ca -0.21 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1uem h SER 47 Cb 1.07 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1uem h SER 47 CO 0.65 -0.13 0.00 0.00 -1.14 0.00 0.00 176.83 176.21 1uem n ALA 48 N -2.25 0.00 -2.34 3.77 0.00 -1.13 -4.97 120.51 113.60 1uem n ALA 48 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.19 1uem n ALA 48 Cb 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.47 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 -4.75 1.61 0.20 0.00 1.51 0.11 -0.06 117.35 115.98 1uem s TYR 49 Ca 0.00 -0.83 0.11 0.00 -1.01 0.00 0.00 57.07 55.35 1uem s TYR 49 Cb 0.00 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1uem s TYR 49 CO 0.00 0.07 -0.23 0.42 -1.11 0.00 0.00 175.55 174.70 1uem s ILE 50 N -3.29 2.33 -0.16 2.71 1.01 0.33 -0.69 121.20 123.45 1uem s ILE 50 Ca 0.26 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 58.86 1uem s ILE 50 Cb 0.04 -2.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.39 1uem s ILE 50 CO 0.08 -0.16 -0.16 -0.63 0.00 0.00 0.00 174.94 174.08 1uem s ILE 51 N -1.78 2.62 0.10 2.92 1.01 -1.02 -1.25 121.20 123.79 1uem s ILE 51 Ca 0.21 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1uem s ILE 51 Cb -0.07 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1uem s ILE 51 CO 0.10 0.52 0.22 -1.61 0.00 0.00 0.00 174.94 174.17 1uem s GLU 52 N 0.86 3.36 0.08 2.79 2.02 0.17 -0.89 118.70 127.09 1uem s GLU 52 Ca -0.04 -0.54 0.05 0.00 0.02 0.00 0.00 54.97 54.45 1uem s GLU 52 Cb -0.15 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 1uem s GLU 52 CO -0.01 0.57 -0.13 0.00 0.02 0.00 0.00 175.26 175.71 1uem s ALA 53 N -1.59 1.12 0.12 5.21 0.00 -0.16 -1.04 121.76 125.42 1uem s ALA 53 Ca 0.34 -1.03 0.09 0.00 0.00 0.00 0.00 51.96 51.36 1uem s ALA 53 Cb -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1uem s ALA 53 CO 0.27 0.10 -0.22 0.12 0.00 0.00 0.00 175.76 176.03 1uem s PHE 54 N -1.57 1.96 -0.01 0.00 2.19 -0.37 -0.86 117.98 119.31 1uem s PHE 54 Ca -0.01 -0.41 -0.01 0.00 0.33 0.00 0.00 56.93 56.84 1uem s PHE 54 Cb -0.08 -1.05 0.01 0.00 -1.31 0.00 0.00 43.02 40.59 1uem s PHE 54 CO 0.02 0.28 0.03 0.45 1.83 0.00 0.00 175.22 177.82 1uem s SER 55 N -2.10 0.00 0.12 6.13 0.15 -1.26 -1.07 113.70 115.67 1uem s SER 55 Ca 0.11 0.05 -0.22 0.00 0.70 0.00 0.00 55.95 56.59 1uem s SER 55 Cb -0.09 0.01 -0.07 0.00 -1.71 0.00 0.00 66.02 64.16 1uem s SER 55 CO 0.05 -0.05 1.70 -0.61 1.20 0.00 0.00 173.24 175.53 1uem h GLN 56 N 6.57 -0.09 -1.02 5.44 4.15 -1.90 -0.28 115.11 127.98 1uem h GLN 56 Ca -0.32 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.10 1uem h GLN 56 Cb 1.18 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1uem h GLN 56 CO 0.49 -0.06 0.00 0.43 -1.93 0.00 0.00 178.83 177.76 1uem n SER 57 N -5.21 1.42 0.10 -0.69 7.64 -1.26 -2.73 113.62 112.89 1uem n SER 57 Ca -0.04 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.47 1uem n SER 57 Cb 0.14 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1uem n SER 57 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1uem n VAL 58 N 0.43 0.20 -0.73 0.44 0.31 -1.14 -5.00 118.33 112.83 1uem n VAL 58 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1uem n VAL 58 Cb 0.26 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 1uem n VAL 58 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1uem n SER 59 N -3.25 0.00 -3.62 4.52 7.64 -0.81 -5.03 113.62 113.07 1uem n SER 59 Ca 0.00 -0.46 -0.26 0.00 1.01 0.00 0.00 58.87 59.15 1uem n SER 59 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1uem n SER 59 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1uem n ASN 60 N 0.00 -3.10 -3.75 6.43 5.15 -0.18 -4.92 115.26 114.88 1uem n ASN 60 Ca 0.00 -0.55 -0.10 0.00 -0.60 0.00 0.00 54.58 53.33 1uem n ASN 60 Cb 0.12 -2.59 -0.07 0.00 -0.53 0.00 0.00 39.78 36.71 1uem n ASN 60 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1uem s SER 61 N -2.84 -0.08 0.38 1.20 0.01 -1.26 -4.97 113.70 106.15 1uem s SER 61 Ca 0.49 -0.37 -0.10 0.00 1.31 0.00 0.00 55.95 57.28 1uem s SER 61 Cb -0.27 0.38 -0.07 0.00 0.21 0.00 0.00 66.02 66.28 1uem s SER 61 CO 0.61 -0.71 0.74 0.26 0.41 0.00 0.00 173.24 174.54 1uem s TRP 62 N -3.30 3.46 0.02 2.43 0.52 -1.26 -4.03 118.94 116.78 1uem s TRP 62 Ca 0.00 1.02 0.02 0.00 0.02 0.00 0.00 56.10 57.16 1uem s TRP 62 Cb 0.02 -2.41 -0.02 0.00 -1.15 0.00 0.00 33.47 29.91 1uem s TRP 62 CO -0.08 -0.04 -0.06 -0.65 0.02 0.00 0.00 176.95 176.13 1uem s GLN 63 N -3.68 0.46 0.06 4.98 -0.21 -0.04 -4.98 119.66 116.26 1uem s GLN 63 Ca 0.51 -0.52 -0.31 0.00 0.02 0.00 0.00 55.36 55.06 1uem s GLN 63 Cb -0.10 -0.30 -0.06 0.00 1.00 0.00 0.00 33.01 33.54 1uem s GLN 63 CO 0.29 0.07 1.33 0.99 -2.12 0.00 0.00 175.29 175.84 1uem s THR 64 N -0.88 3.67 0.00 -0.19 2.01 -1.26 -0.99 115.64 118.00 1uem s THR 64 Ca -0.06 1.16 0.00 0.00 0.31 0.00 0.00 61.69 63.11 1uem s THR 64 Cb -0.07 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1uem s THR 64 CO 0.00 0.06 0.00 1.33 -0.69 0.00 0.00 174.62 175.32 1uem n VAL 65 N 4.16 0.00 -2.88 3.82 0.24 -0.07 -4.91 118.33 118.69 1uem n VAL 65 Ca 0.11 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.34 62.02 1uem n VAL 65 Cb 0.44 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 1uem n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uem n ALA 66 N -0.83 -0.62 -1.99 2.33 0.00 -1.19 -4.83 120.51 113.38 1uem n ALA 66 Ca 0.00 -1.70 -0.36 0.00 0.00 0.00 0.00 53.44 51.37 1uem n ALA 66 Cb 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 1uem n ALA 66 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1uem s ASN 67 N -0.46 7.15 -1.09 0.00 3.84 -1.26 -2.45 114.94 120.67 1uem s ASN 67 Ca 0.32 1.56 -0.30 0.00 0.21 0.00 0.00 52.86 54.64 1uem s ASN 67 Cb 0.11 -2.47 0.04 0.00 -0.55 0.00 0.00 41.25 38.38 1uem s ASN 67 CO -0.15 -0.01 0.62 1.41 -2.79 0.00 0.00 177.10 176.17 1uem n HIS 68 N 0.63 -1.29 -2.82 0.43 8.25 -0.84 -4.98 115.22 114.60 1uem n HIS 68 Ca -0.01 0.10 -0.36 0.00 -0.26 0.00 0.00 57.72 57.19 1uem n HIS 68 Cb 0.51 -2.52 -0.07 0.00 1.12 0.00 0.00 29.99 29.03 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 -3.59 4.28 -0.29 1.59 1.01 0.14 -4.76 120.40 118.77 1uem s VAL 69 Ca 0.42 1.71 0.13 0.00 0.00 0.00 0.00 61.98 64.24 1uem s VAL 69 Cb -0.24 -3.91 0.48 0.00 0.00 0.00 0.00 36.38 32.71 1uem s VAL 69 CO 0.89 0.05 1.15 0.29 0.00 0.00 0.00 175.10 177.48 1uem n LYS 70 N 0.33 2.82 -3.33 2.72 4.01 -1.26 0.08 118.16 123.53 1uem n LYS 70 Ca 0.03 -3.91 -0.11 0.00 -0.51 0.00 0.00 58.31 53.81 1uem n LYS 70 Cb 0.51 -1.99 -0.02 0.00 -0.51 0.00 0.00 35.03 33.01 1uem n LYS 70 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1uem n THR 71 N -0.64 0.00 0.17 -0.18 5.66 -1.26 -5.06 114.28 112.97 1uem n THR 71 Ca 0.29 -1.32 0.03 0.00 -3.05 0.00 0.00 64.05 60.00 1uem n THR 71 Cb 0.89 0.80 0.04 0.00 -1.55 0.00 0.00 70.33 70.50 1uem n THR 71 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1uem n THR 72 N -0.42 0.23 -4.15 1.09 -2.24 -1.26 -4.95 114.28 102.58 1uem n THR 72 Ca 0.01 -0.62 -0.15 0.00 -2.27 0.00 0.00 64.05 61.02 1uem n THR 72 Cb 0.42 0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 69.50 1uem n THR 72 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1uem s LEU 73 N -0.62 2.11 -0.10 3.22 1.02 -1.26 -1.63 118.68 121.41 1uem s LEU 73 Ca 0.08 -0.28 -0.05 0.00 0.02 0.00 0.00 54.13 53.90 1uem s LEU 73 Cb 0.05 -0.27 0.05 0.00 0.02 0.00 0.00 46.19 46.04 1uem s LEU 73 CO 0.08 -0.03 0.24 -0.47 0.02 0.00 0.00 176.35 176.19 1uem s TYR 74 N -0.61 -0.32 -0.79 0.29 5.04 -0.99 -5.00 117.35 114.97 1uem s TYR 74 Ca -0.02 0.76 -0.25 0.00 -2.44 0.00 0.00 57.07 55.12 1uem s TYR 74 Cb -0.05 0.03 -0.02 0.00 0.35 0.00 0.00 41.96 42.27 1uem s TYR 74 CO 0.00 -0.23 1.81 0.99 -1.34 0.00 0.00 175.55 176.78 1uem s THR 75 N 1.28 3.48 0.32 4.34 2.01 -1.26 -1.50 115.64 124.31 1uem s THR 75 Ca -0.09 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 1uem s THR 75 Cb -0.11 -4.16 -0.11 0.00 0.01 0.00 0.00 72.50 68.14 1uem s THR 75 CO -0.08 -1.10 1.43 -0.69 -0.69 0.00 0.00 174.62 173.48 1uem s VAL 76 N 8.86 2.44 0.39 3.82 1.01 0.52 -4.88 120.40 132.57 1uem s VAL 76 Ca 0.64 0.41 0.06 0.00 0.00 0.00 0.00 61.98 63.09 1uem s VAL 76 Cb -0.08 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1uem s VAL 76 CO 0.07 0.09 0.22 -0.13 0.00 0.00 0.00 175.10 175.35 1uem s ARG 77 N -1.32 1.90 -0.81 2.72 0.52 -1.26 -1.26 118.95 119.44 1uem s ARG 77 Ca 0.55 -2.15 0.00 0.00 -0.52 0.00 0.00 55.73 53.61 1uem s ARG 77 Cb -0.43 -0.13 0.00 0.00 0.52 0.00 0.00 34.95 34.91 1uem s ARG 77 CO 0.52 -0.60 0.00 0.41 0.02 0.00 0.00 175.30 175.65 1uem n GLY 78 N -0.81 0.79 3.95 -3.53 0.00 -1.05 -4.93 105.19 99.61 1uem n GLY 78 Ca 0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 1uem n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uem s LEU 79 N -1.92 2.89 0.07 0.99 1.43 -0.34 -5.06 118.68 116.75 1uem s LEU 79 Ca 0.00 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1uem s LEU 79 Cb 0.00 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1uem s LEU 79 CO 0.00 -1.72 0.13 -0.13 0.23 0.00 0.00 176.35 174.86 1uem s ARG 80 N -5.24 3.10 0.69 1.70 0.52 -1.26 -4.53 118.95 113.93 1uem s ARG 80 Ca 0.63 -0.59 -0.11 0.00 -0.52 0.00 0.00 55.73 55.14 1uem s ARG 80 Cb -0.09 -2.85 0.01 0.00 0.52 0.00 0.00 34.95 32.54 1uem s ARG 80 CO 0.45 0.59 1.06 -1.25 0.02 0.00 0.00 175.30 176.16 1uem s PRO 81 N -2.39 2.95 -0.94 3.54 0.04 -1.02 -3.84 135.00 133.34 1uem s PRO 81 Ca 0.31 0.95 -0.06 0.00 0.04 0.00 0.00 61.00 62.24 1uem s PRO 81 Cb -0.12 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.48 1uem s PRO 81 CO 0.24 -1.09 0.25 -1.71 0.04 0.00 0.00 177.00 174.73 1uem n ASN 82 N -3.12 -2.83 -4.19 6.66 5.15 -0.51 -4.92 115.26 111.49 1uem n ASN 82 Ca 0.07 -0.09 -0.32 0.00 -0.60 0.00 0.00 54.58 53.64 1uem n ASN 82 Cb 0.54 -2.42 -0.17 0.00 -0.53 0.00 0.00 39.78 37.20 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 -2.63 2.06 0.51 -0.44 2.01 -1.25 -4.90 115.64 111.00 1uem s THR 83 Ca 0.24 -0.99 -0.21 0.00 0.31 0.00 0.00 61.69 61.03 1uem s THR 83 Cb -0.13 -1.81 -0.06 0.00 0.01 0.00 0.00 72.50 70.51 1uem s THR 83 CO 0.29 0.55 1.17 -0.63 -0.69 0.00 0.00 174.62 175.32 1uem s ILE 84 N 0.63 3.00 0.01 1.82 -1.09 -1.26 -1.74 121.20 122.58 1uem s ILE 84 Ca -0.12 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 1uem s ILE 84 Cb -0.16 -3.31 -0.01 0.00 -1.58 0.00 0.00 42.46 37.39 1uem s ILE 84 CO 0.02 -0.07 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.33 1uem s TYR 85 N -1.62 0.18 0.20 3.97 2.02 -0.10 -4.59 117.35 117.41 1uem s TYR 85 Ca 0.69 -0.35 0.07 0.00 -0.37 0.00 0.00 57.07 57.11 1uem s TYR 85 Cb -0.28 -0.13 -0.04 0.00 -0.40 0.00 0.00 41.96 41.11 1uem s TYR 85 CO 0.32 -0.12 0.10 -0.51 -1.57 0.00 0.00 175.55 173.77 1uem s LEU 86 N -0.97 3.61 0.02 -1.29 1.43 -0.24 -1.41 118.68 119.83 1uem s LEU 86 Ca -0.11 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1uem s LEU 86 Cb -0.07 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 1uem s LEU 86 CO -0.01 0.04 -0.05 -0.36 0.23 0.00 0.00 176.35 176.20 1uem s PHE 87 N -1.91 0.46 -0.01 0.29 0.08 -1.26 -1.23 117.98 114.40 1uem s PHE 87 Ca 0.31 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 57.01 1uem s PHE 87 Cb -0.09 -0.29 0.00 0.00 -0.57 0.00 0.00 43.02 42.07 1uem s PHE 87 CO 0.22 -0.08 -0.07 -1.64 -0.10 0.00 0.00 175.22 173.55 1uem s MET 88 N -1.06 0.63 -0.04 0.44 -1.94 -0.20 -1.93 119.30 115.19 1uem s MET 88 Ca -0.08 -0.22 -0.13 0.00 -1.71 0.00 0.00 55.69 53.55 1uem s MET 88 Cb -0.07 -0.61 -0.05 0.00 2.01 0.00 0.00 34.83 36.10 1uem s MET 88 CO -0.00 0.10 0.34 0.08 -0.01 0.00 0.00 175.02 175.54 1uem s VAL 89 N 0.06 5.16 0.08 -6.03 1.01 -1.26 -0.65 120.40 118.76 1uem s VAL 89 Ca -0.00 0.68 0.10 0.00 0.00 0.00 0.00 61.98 62.76 1uem s VAL 89 Cb -0.05 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1uem s VAL 89 CO -0.00 0.57 -0.26 -0.13 0.00 0.00 0.00 175.10 175.28 1uem s ARG 90 N -0.92 1.61 0.55 2.72 0.52 -0.38 -1.15 118.95 121.91 1uem s ARG 90 Ca 0.21 -1.19 -0.05 0.00 -0.52 0.00 0.00 55.73 54.19 1uem s ARG 90 Cb -0.15 -1.90 -0.00 0.00 0.52 0.00 0.00 34.95 33.41 1uem s ARG 90 CO 0.11 0.48 0.85 0.00 0.02 0.00 0.00 175.30 176.75 1uem s ALA 91 N -0.91 3.38 0.10 2.13 0.00 -1.26 -0.51 121.76 124.69 1uem s ALA 91 Ca 0.12 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.44 1uem s ALA 91 Cb -0.10 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 1uem s ALA 91 CO 0.03 -0.67 -0.19 0.42 0.00 0.00 0.00 175.76 175.35 1uem s ILE 92 N -2.89 1.58 0.26 0.00 1.01 0.92 -0.97 121.20 121.11 1uem s ILE 92 Ca 0.52 -1.55 -0.16 0.00 0.00 0.00 0.00 60.65 59.46 1uem s ILE 92 Cb -0.10 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.88 1uem s ILE 92 CO 0.44 -0.14 0.57 0.54 0.00 0.00 0.00 174.94 176.35 1uem s ASN 93 N -1.99 -0.16 0.00 3.58 4.22 -0.58 -0.67 114.94 119.34 1uem s ASN 93 Ca 0.06 -0.81 0.00 0.00 -2.14 0.00 0.00 52.86 49.97 1uem s ASN 93 Cb -0.09 0.64 0.00 0.00 1.28 0.00 0.00 41.25 43.08 1uem s ASN 93 CO 0.04 -1.22 0.38 -0.81 -2.04 0.00 0.00 177.10 173.45 1uem n PRO 94 N -0.41 0.70 0.08 3.55 -0.04 -1.26 -3.35 135.00 134.27 1uem n PRO 94 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1uem n PRO 94 Cb 0.61 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 0.10 0.00 -2.49 0.54 6.02 -1.26 -5.17 117.38 115.12 1uem n GLN 95 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 1uem n GLN 95 Cb 0.16 -0.30 -0.01 0.00 1.02 0.00 0.00 30.24 31.10 1uem n GLN 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uem n GLY 96 N 2.68 2.98 3.86 1.08 0.00 -1.21 -5.15 105.19 109.42 1uem n GLY 96 Ca 0.00 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 1uem n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uem s LEU 97 N 0.00 3.51 0.94 0.99 1.02 -1.26 -1.53 118.68 122.35 1uem s LEU 97 Ca 0.11 1.38 -0.12 0.00 0.02 0.00 0.00 54.13 55.52 1uem s LEU 97 Cb -0.00 -4.36 0.15 0.00 0.02 0.00 0.00 46.19 42.01 1uem s LEU 97 CO 0.08 -0.66 1.10 -0.94 0.02 0.00 0.00 176.35 175.95 1uem s SER 98 N -3.59 3.16 0.28 2.29 1.04 -0.14 -4.92 113.70 111.81 1uem s SER 98 Ca 0.55 1.19 -0.26 0.00 0.48 0.00 0.00 55.95 57.91 1uem s SER 98 Cb -0.10 -1.84 -0.16 0.00 0.10 0.00 0.00 66.02 64.01 1uem s SER 98 CO 0.41 -2.79 0.47 0.47 0.98 0.00 0.00 173.24 172.77 1uem n ASP 99 N -3.95 -1.36 -4.77 7.02 9.92 -1.26 -4.77 116.55 117.38 1uem n ASP 99 Ca 0.06 1.04 -0.33 0.00 -0.53 0.00 0.00 54.79 55.03 1uem n ASP 99 Cb 0.57 -0.98 0.06 0.00 -0.64 0.00 0.00 41.12 40.13 1uem n ASP 99 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1uem s PRO 100 N -1.11 2.66 0.95 -0.24 0.04 -1.26 -4.50 135.00 131.54 1uem s PRO 100 Ca 0.62 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 1uem s PRO 100 Cb -0.80 -1.94 0.16 0.00 0.04 0.00 0.00 34.50 31.96 1uem s PRO 100 CO 0.58 -1.36 1.09 -1.54 0.04 0.00 0.00 177.00 175.81 1uem s SER 101 N -2.76 2.96 0.51 6.66 1.04 -0.30 -4.85 113.70 116.97 1uem s SER 101 Ca 0.66 1.43 -0.21 0.00 0.48 0.00 0.00 55.95 58.30 1uem s SER 101 Cb -0.20 -2.10 -0.08 0.00 0.10 0.00 0.00 66.02 63.74 1uem s SER 101 CO 0.45 -2.95 1.03 -2.65 0.98 0.00 0.00 173.24 170.09 1uem n PRO 102 N -4.08 1.22 -1.77 4.02 -0.02 -1.26 -4.76 135.00 128.35 1uem n PRO 102 Ca 0.06 0.45 -0.39 0.00 -2.02 0.00 0.00 63.50 61.60 1uem n PRO 102 Cb 0.56 -2.16 0.03 0.00 -0.02 0.00 0.00 33.50 31.91 1uem n PRO 102 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1uem s MET 103 N -2.42 3.35 0.09 -0.52 -1.94 -1.26 -4.42 119.30 112.17 1uem s MET 103 Ca 0.69 2.34 0.09 0.00 -1.71 0.00 0.00 55.69 57.10 1uem s MET 103 Cb -0.48 -2.42 0.45 0.00 2.01 0.00 0.00 34.83 34.40 1uem s MET 103 CO 0.52 -1.06 1.29 -1.13 -0.01 0.00 0.00 175.02 174.63 1uem n SER 104 N -0.70 0.17 -0.80 3.03 3.41 -0.81 -4.84 113.62 113.08 1uem n SER 104 Ca 0.08 0.57 0.06 0.00 -0.26 0.00 0.00 58.87 59.32 1uem n SER 104 Cb 0.43 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.72 -4.31 -4.56 4.04 2.03 -1.26 -4.82 116.55 105.95 1uem n ASP 105 Ca 0.01 0.87 -0.40 0.00 0.52 0.00 0.00 54.79 55.78 1uem n ASP 105 Cb 0.06 -2.52 -0.03 0.00 -0.72 0.00 0.00 41.12 37.91 1uem n ASP 105 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1uem s PRO 106 N -4.08 3.04 0.95 -0.67 0.04 -1.26 -4.68 135.00 128.34 1uem s PRO 106 Ca 0.00 0.17 -0.12 0.00 0.04 0.00 0.00 61.00 61.10 1uem s PRO 106 Cb 0.00 -4.23 0.16 0.00 0.04 0.00 0.00 34.50 30.47 1uem s PRO 106 CO 0.00 -2.28 1.09 0.54 0.04 0.00 0.00 177.00 176.39 1uem s VAL 107 N 6.82 2.45 -0.00 -0.36 0.11 -0.50 -4.82 120.40 124.09 1uem s VAL 107 Ca 0.49 0.15 0.05 0.00 -2.93 0.00 0.00 61.98 59.73 1uem s VAL 107 Cb -0.10 -2.51 -0.01 0.00 -1.53 0.00 0.00 36.38 32.23 1uem s VAL 107 CO 0.19 -0.19 -0.17 -0.60 -3.33 0.00 0.00 175.10 171.00 1uem s ARG 108 N -4.83 1.30 0.73 1.54 3.52 -1.26 -0.92 118.95 119.03 1uem s ARG 108 Ca 0.65 -0.64 -0.11 0.00 -0.13 0.00 0.00 55.73 55.50 1uem s ARG 108 Cb -0.20 -1.28 0.03 0.00 -1.56 0.00 0.00 34.95 31.94 1uem s ARG 108 CO 0.58 0.35 1.07 0.95 -0.81 0.00 0.00 175.30 177.44 1uem s THR 109 N -0.47 3.73 0.96 4.11 -4.23 -0.71 -4.92 115.64 114.10 1uem s THR 109 Ca 0.06 0.56 -0.12 0.00 -1.18 0.00 0.00 61.69 61.01 1uem s THR 109 Cb -0.07 -3.27 0.16 0.00 1.34 0.00 0.00 72.50 70.66 1uem s THR 109 CO -0.00 -0.73 1.09 -1.10 -0.54 0.00 0.00 174.62 173.33 1uem s GLN 110 N -5.05 0.76 -0.30 3.99 -0.21 -0.83 -3.38 119.66 114.65 1uem s GLN 110 Ca 0.59 0.88 -0.01 0.00 0.02 0.00 0.00 55.36 56.84 1uem s GLN 110 Cb -0.14 -1.75 0.21 0.00 1.00 0.00 0.00 33.01 32.32 1uem s GLN 110 CO 0.55 -2.60 2.00 -3.47 -2.12 0.00 0.00 175.29 169.65 1uem n ASP 111 N -4.13 6.31 0.00 5.90 2.03 -1.26 -1.43 116.55 123.97 1uem n ASP 111 Ca 0.07 -3.02 0.00 0.00 0.52 0.00 0.00 54.79 52.35 1uem n ASP 111 Cb 0.55 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 1uem n ASP 111 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1uem n SER 112 N 0.38 0.00 -2.92 1.67 2.88 -1.26 -3.94 113.62 110.44 1uem n SER 112 Ca 0.28 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.71 1uem n SER 112 Cb 0.59 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.04 1uem n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uem n GLY 113 N 0.00 0.44 3.57 0.46 0.00 -1.26 -4.79 105.19 103.60 1uem n GLY 113 Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 1uem n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uem s PRO 114 N 0.46 2.48 0.63 1.61 0.04 -1.25 -4.72 135.00 134.24 1uem s PRO 114 Ca 0.32 -0.56 0.00 0.00 0.04 0.00 0.00 61.00 60.80 1uem s PRO 114 Cb 0.09 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.51 1uem s PRO 114 CO -0.14 -3.64 0.00 0.43 0.04 0.00 0.00 177.00 173.69 1uem n SER 115 N 14.34 -6.62 -3.11 6.66 7.64 -1.26 -4.56 113.62 126.71 1uem n SER 115 Ca 0.42 0.97 -0.29 0.00 1.01 0.00 0.00 58.87 60.99 1uem n SER 115 Cb 0.47 -2.80 -0.04 0.00 -1.01 0.00 0.00 64.21 60.83 1uem n SER 115 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uem n SER 116 N -4.04 4.66 0.00 6.43 2.88 -1.26 -5.14 113.62 117.14 1uem n SER 116 Ca 0.01 -3.64 0.00 0.00 -1.33 0.00 0.00 58.87 53.91 1uem n SER 116 Cb 0.41 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1uem n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42