#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 0.00 -3.34 1.61 7.64 -1.26 -5.00 113.62 113.27 1uem n SER 2 Ca 0.00 -1.00 -0.18 0.00 1.01 0.00 0.00 58.87 58.70 1uem n SER 2 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1uem n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uem s SER 3 N 0.00 1.22 0.00 6.43 0.15 -1.26 -5.04 113.70 115.20 1uem s SER 3 Ca 0.00 -1.82 0.00 0.00 0.70 0.00 0.00 55.95 54.83 1uem s SER 3 Cb 0.00 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1uem s SER 3 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1uem n GLY 4 N 3.98 -0.55 2.69 9.45 0.00 -1.26 -5.08 105.19 114.43 1uem n GLY 4 Ca 0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.11 1uem n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uem n SER 5 N 0.00 -1.21 -4.05 1.61 7.64 -1.26 -4.72 113.62 111.63 1uem n SER 5 Ca 0.00 -2.31 -0.10 0.00 1.01 0.00 0.00 58.87 57.47 1uem n SER 5 Cb 0.00 0.64 -0.08 0.00 -1.01 0.00 0.00 64.21 63.76 1uem n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uem s SER 6 N -1.48 0.07 1.34 6.43 1.04 -1.26 -5.07 113.70 114.77 1uem s SER 6 Ca 0.16 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1uem s SER 6 Cb 0.42 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.98 1uem s SER 6 CO -0.10 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1uem n GLY 7 N -0.25 2.78 3.19 7.32 0.00 -1.26 -4.80 105.19 112.18 1uem n GLY 7 Ca -0.04 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1uem n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uem s LYS 8 N 0.00 1.06 -0.20 1.61 2.20 -1.26 -5.18 119.74 117.97 1uem s LYS 8 Ca 0.00 -1.48 -0.18 0.00 -0.36 0.00 0.00 55.97 53.94 1uem s LYS 8 Cb 0.00 0.27 0.05 0.00 -1.51 0.00 0.00 37.83 36.64 1uem s LYS 8 CO 0.00 -0.33 0.54 1.21 -0.36 0.00 0.00 175.35 176.41 1uem s ASN 9 N -3.08 -0.57 0.35 1.43 2.47 -1.26 -5.03 114.94 109.25 1uem s ASN 9 Ca 0.29 1.09 0.12 0.00 0.42 0.00 0.00 52.86 54.78 1uem s ASN 9 Cb 0.07 1.10 0.62 0.00 -1.45 0.00 0.00 41.25 41.59 1uem s ASN 9 CO 0.06 -0.19 1.77 0.22 -3.72 0.00 0.00 177.10 175.24 1uem h TYR 10 N 5.40 0.00 -0.47 0.43 5.03 -2.02 -3.50 116.97 121.84 1uem h TYR 10 Ca -0.28 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.03 1uem h TYR 10 Cb 1.17 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.45 1uem h TYR 10 CO 0.38 0.44 0.00 -0.25 -1.32 0.00 0.00 178.16 177.41 1uem n ASP 11 N -4.02 -1.41 -1.69 -2.11 8.00 -1.26 -3.95 116.55 110.11 1uem n ASP 11 Ca -0.02 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.33 1uem n ASP 11 Cb 0.46 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.74 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 0.00 5.41 -4.71 0.64 4.77 -1.26 -5.06 117.00 116.78 1uem n LEU 12 Ca 0.00 -3.80 -0.43 0.00 -0.03 0.00 0.00 56.01 51.75 1uem n LEU 12 Cb 0.00 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 1uem n LEU 12 CO 0.00 1.24 1.24 -0.24 -1.33 0.00 0.00 177.39 178.30 1uem n SER 13 N -1.11 3.60 0.09 -1.43 2.88 -1.25 -4.72 113.62 111.67 1uem n SER 13 Ca 0.46 1.11 -0.22 0.00 -1.33 0.00 0.00 58.87 58.89 1uem n SER 13 Cb 1.25 -1.53 -0.15 0.00 -0.75 0.00 0.00 64.21 63.03 1uem n SER 13 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1uem h ASP 14 N 5.48 0.64 -3.83 -3.46 5.19 -1.95 -0.66 116.42 117.82 1uem h ASP 14 Ca -0.45 -0.92 -0.49 0.00 -0.62 0.00 0.00 57.03 54.54 1uem h ASP 14 Cb 1.23 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1uem h ASP 14 CO 0.85 1.52 0.41 -0.76 -3.12 0.00 0.00 179.24 178.14 1uem s LEU 15 N -7.80 4.48 0.50 1.55 1.43 -1.26 -2.33 118.68 115.24 1uem s LEU 15 Ca -0.12 2.09 -0.22 0.00 -1.03 0.00 0.00 54.13 54.86 1uem s LEU 15 Cb 0.02 -3.77 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 1uem s LEU 15 CO 0.88 -0.12 1.22 -2.16 0.23 0.00 0.00 176.35 176.40 1uem s PRO 16 N -1.64 3.48 0.37 1.29 0.04 -1.26 -4.52 135.00 132.76 1uem s PRO 16 Ca 0.47 1.88 -0.26 0.00 0.04 0.00 0.00 61.00 63.13 1uem s PRO 16 Cb -0.27 -2.28 -0.12 0.00 0.04 0.00 0.00 34.50 31.87 1uem s PRO 16 CO 0.34 -0.81 1.09 0.41 0.04 0.00 0.00 177.00 178.07 1uem n GLY 17 N 0.50 0.01 3.76 0.56 0.00 0.53 -4.49 105.19 106.06 1uem n GLY 17 Ca 0.09 0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.90 3.21 0.87 1.61 0.04 -1.26 -3.98 135.00 133.59 1uem s PRO 18 Ca 0.60 1.83 -0.10 0.00 0.04 0.00 0.00 61.00 63.37 1uem s PRO 18 Cb -0.59 -2.08 0.12 0.00 0.04 0.00 0.00 34.50 31.99 1uem s PRO 18 CO 0.59 -1.02 1.12 -1.25 0.04 0.00 0.00 177.00 176.48 1uem s PRO 19 N -3.15 1.42 1.02 0.56 0.04 -1.26 -3.66 135.00 129.98 1uem s PRO 19 Ca 0.73 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1uem s PRO 19 Cb -0.30 -1.79 0.20 0.00 0.04 0.00 0.00 34.50 32.65 1uem s PRO 19 CO 0.34 -2.28 1.08 -1.12 0.04 0.00 0.00 177.00 175.06 1uem s SER 20 N -2.99 2.32 0.06 6.66 0.01 -0.10 -4.44 113.70 115.22 1uem s SER 20 Ca 0.64 1.36 -0.33 0.00 1.31 0.00 0.00 55.95 58.94 1uem s SER 20 Cb -0.20 -2.05 -0.12 0.00 0.21 0.00 0.00 66.02 63.85 1uem s SER 20 CO 0.57 -3.34 1.79 1.17 0.41 0.00 0.00 173.24 173.84 1uem n LYS 21 N -4.33 2.42 -2.20 12.44 0.00 -1.26 -4.59 118.16 120.63 1uem n LYS 21 Ca 0.05 0.88 -0.41 0.00 0.00 0.00 0.00 58.31 58.83 1uem n LYS 21 Cb 0.56 -2.73 -0.03 0.00 0.00 0.00 0.00 35.03 32.83 1uem n LYS 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1uem s PRO 22 N 2.75 4.39 0.78 1.64 0.04 -1.26 -4.73 135.00 138.61 1uem s PRO 22 Ca 0.85 2.08 -0.12 0.00 0.04 0.00 0.00 61.00 63.86 1uem s PRO 22 Cb -0.60 -3.17 0.06 0.00 0.04 0.00 0.00 34.50 30.83 1uem s PRO 22 CO 0.42 -0.22 1.15 -0.65 0.04 0.00 0.00 177.00 177.74 1uem s GLN 23 N -0.52 2.20 -0.37 4.56 -1.52 0.60 -4.33 119.66 120.29 1uem s GLN 23 Ca 0.55 0.17 0.01 0.00 -1.95 0.00 0.00 55.36 54.14 1uem s GLN 23 Cb -0.37 -1.98 0.12 0.00 -0.22 0.00 0.00 33.01 30.55 1uem s GLN 23 CO 0.41 -1.43 0.16 0.08 -0.25 0.00 0.00 175.29 174.26 1uem s VAL 24 N -3.50 1.16 0.00 1.09 1.01 -1.26 -3.00 120.40 115.90 1uem s VAL 24 Ca 0.61 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.63 1uem s VAL 24 Cb -0.11 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1uem s VAL 24 CO 0.49 -0.78 0.00 0.35 0.00 0.00 0.00 175.10 175.17 1uem n THR 25 N 4.23 0.00 -2.09 3.92 -2.24 -1.24 -4.95 114.28 111.90 1uem n THR 25 Ca 0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 1uem n THR 25 Cb 0.39 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 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 6.74 0.06 3.42 2.15 -1.26 -4.91 116.67 121.88 1uem s ASP 26 Ca 0.00 2.31 0.00 0.00 0.43 0.00 0.00 52.55 55.29 1uem s ASP 26 Cb 0.00 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 1uem s ASP 26 CO 0.00 -0.77 -0.04 0.54 -0.17 0.00 0.00 175.17 174.72 1uem s VAL 27 N 2.17 0.38 0.18 1.11 0.11 -1.26 -0.20 120.40 122.89 1uem s VAL 27 Ca 0.68 -1.78 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 1uem s VAL 27 Cb -0.36 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.02 1uem s VAL 27 CO 0.29 -0.91 0.00 0.35 -3.33 0.00 0.00 175.10 171.50 1uem n THR 28 N 0.19 0.08 0.00 5.04 -2.24 -0.69 -4.94 114.28 111.72 1uem n THR 28 Ca -0.14 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1uem n THR 28 Cb 0.60 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1uem n THR 28 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1uem n LYS 29 N -3.17 0.00 0.00 -0.78 2.85 -1.26 -4.32 118.16 111.48 1uem n LYS 29 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1uem n LYS 29 Cb 0.02 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.40 1uem n LYS 29 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1uem n ASN 30 N 0.00 0.05 -4.18 -5.58 0.23 -1.26 -1.61 115.26 102.90 1uem n ASN 30 Ca 0.00 -1.01 -0.15 0.00 -0.53 0.00 0.00 54.58 52.89 1uem n ASN 30 Cb 0.00 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 1uem n ASN 30 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1uem s SER 31 N -0.01 1.53 -0.08 0.53 1.04 -1.26 -1.74 113.70 113.70 1uem s SER 31 Ca 0.00 -0.78 -0.10 0.00 0.48 0.00 0.00 55.95 55.55 1uem s SER 31 Cb 0.00 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.14 1uem s SER 31 CO 0.00 -0.23 0.27 0.54 0.98 0.00 0.00 173.24 174.80 1uem s VAL 32 N -2.25 0.01 0.02 5.02 0.11 -0.73 -1.70 120.40 120.88 1uem s VAL 32 Ca 0.05 -0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 58.89 1uem s VAL 32 Cb -0.04 -0.42 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 1uem s VAL 32 CO 0.01 -0.06 0.34 -0.89 -3.33 0.00 0.00 175.10 171.17 1uem s THR 33 N -0.14 5.18 -0.07 5.04 2.01 0.71 -0.36 115.64 128.01 1uem s THR 33 Ca -0.03 0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.42 1uem s THR 33 Cb -0.03 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1uem s THR 33 CO 0.01 0.40 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.47 1uem s LEU 34 N -1.61 2.90 -0.14 4.42 1.43 -0.13 -3.61 118.68 121.95 1uem s LEU 34 Ca 0.28 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1uem s LEU 34 Cb -0.14 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1uem s LEU 34 CO 0.15 0.32 -0.13 -0.94 0.23 0.00 0.00 176.35 175.99 1uem s SER 35 N -0.58 2.53 0.24 2.29 1.04 -1.16 -1.51 113.70 116.55 1uem s SER 35 Ca 0.08 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1uem s SER 35 Cb -0.12 -1.08 -0.05 0.00 0.10 0.00 0.00 66.02 64.88 1uem s SER 35 CO 0.02 -0.07 0.12 -1.66 0.98 0.00 0.00 173.24 172.63 1uem s TRP 36 N 1.50 1.41 0.11 5.02 -2.14 -1.02 -0.29 118.94 123.53 1uem s TRP 36 Ca 0.04 -1.28 0.08 0.00 2.66 0.00 0.00 56.10 57.61 1uem s TRP 36 Cb -0.13 -0.77 -0.04 0.00 -3.10 0.00 0.00 33.47 29.43 1uem s TRP 36 CO -0.09 -0.47 -0.17 -0.65 -2.66 0.00 0.00 176.95 172.91 1uem s GLN 37 N -4.05 1.87 0.45 3.25 -0.21 -1.26 -4.81 119.66 114.88 1uem s GLN 37 Ca 0.38 -1.14 -0.15 0.00 0.02 0.00 0.00 55.36 54.47 1uem s GLN 37 Cb 0.07 -2.15 -0.08 0.00 1.00 0.00 0.00 33.01 31.85 1uem s GLN 37 CO 0.14 0.49 0.89 -1.25 -2.12 0.00 0.00 175.29 173.43 1uem s PRO 38 N -2.10 3.95 0.90 2.91 0.04 -1.26 -0.92 135.00 138.51 1uem s PRO 38 Ca 0.18 0.80 -0.13 0.00 0.04 0.00 0.00 61.00 61.90 1uem s PRO 38 Cb -0.11 -2.25 0.17 0.00 0.04 0.00 0.00 34.50 32.35 1uem s PRO 38 CO 0.10 -0.11 1.24 0.20 0.04 0.00 0.00 177.00 178.47 1uem s GLY 39 N -2.86 1.75 0.61 0.56 0.00 -1.24 -4.72 107.32 101.42 1uem s GLY 39 Ca 0.57 -1.18 -0.19 0.00 0.00 0.00 0.00 44.72 43.92 1uem s GLY 39 CO 0.27 -0.50 1.27 -1.59 0.00 0.00 0.00 173.10 172.55 1uem s THR 40 N -3.72 2.24 1.23 0.90 2.01 -1.26 -4.74 115.64 112.30 1uem s THR 40 Ca 0.71 0.15 -0.20 0.00 0.31 0.00 0.00 61.69 62.66 1uem s THR 40 Cb -0.05 -3.06 0.30 0.00 0.01 0.00 0.00 72.50 69.69 1uem s THR 40 CO 0.51 -0.03 1.11 -2.16 -0.69 0.00 0.00 174.62 173.36 1uem s PRO 41 N -3.29 -1.44 0.00 4.92 0.04 -1.26 -0.35 135.00 133.62 1uem s PRO 41 Ca 0.79 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1uem s PRO 41 Cb -0.36 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1uem s PRO 41 CO 0.38 -3.85 0.00 0.41 0.04 0.00 0.00 177.00 173.99 1uem n GLY 42 N -0.88 4.17 0.19 0.56 0.00 -1.26 -4.33 105.19 103.64 1uem n GLY 42 Ca 0.14 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1uem n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uem h THR 43 N 0.08 1.31 -2.71 2.61 1.03 -1.10 -3.46 112.91 110.68 1uem h THR 43 Ca 0.00 -1.37 -0.54 0.00 -0.01 0.00 0.00 66.41 64.49 1uem h THR 43 Cb 0.00 1.61 -0.02 0.00 -1.07 0.00 0.00 68.15 68.67 1uem h THR 43 CO 0.00 0.43 -0.40 -0.76 -0.01 0.00 0.00 175.52 174.78 1uem s LEU 44 N -9.05 4.29 0.50 0.00 1.43 -0.98 -5.06 118.68 109.80 1uem s LEU 44 Ca -0.13 0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 53.07 1uem s LEU 44 Cb 0.08 -3.04 -0.08 0.00 0.03 0.00 0.00 46.19 43.18 1uem s LEU 44 CO 0.81 0.01 1.01 -2.16 0.23 0.00 0.00 176.35 176.25 1uem s PRO 45 N -3.24 3.84 -0.62 1.29 0.04 -1.26 -4.73 135.00 130.32 1uem s PRO 45 Ca 0.36 1.21 -0.28 0.00 0.04 0.00 0.00 61.00 62.34 1uem s PRO 45 Cb -0.11 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1uem s PRO 45 CO 0.29 -0.38 1.26 0.00 0.04 0.00 0.00 177.00 178.21 1uem s ALA 46 N -2.21 2.89 0.14 8.56 0.00 -1.26 -4.17 121.76 125.71 1uem s ALA 46 Ca 0.64 -0.94 -0.22 0.00 0.00 0.00 0.00 51.96 51.44 1uem s ALA 46 Cb -0.13 -4.11 0.01 0.00 0.00 0.00 0.00 23.12 18.89 1uem s ALA 46 CO 0.23 -2.89 1.64 0.77 0.00 0.00 0.00 175.76 175.51 1uem h SER 47 N 9.99 -0.68 -0.19 0.00 0.02 -1.05 -3.48 113.55 118.15 1uem h SER 47 Ca -0.26 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1uem h SER 47 Cb 1.06 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1uem h SER 47 CO 1.21 -0.26 0.00 0.00 -1.14 0.00 0.00 176.83 176.64 1uem n ALA 48 N -2.74 0.00 -2.39 3.77 0.00 -1.18 -4.99 120.51 112.99 1uem n ALA 48 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 1uem n ALA 48 Cb 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.67 1.63 0.15 0.00 1.51 -0.13 -0.28 117.35 116.57 1uem s TYR 49 Ca 0.00 -0.56 0.05 0.00 -1.01 0.00 0.00 57.07 55.55 1uem s TYR 49 Cb 0.00 -0.79 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 1uem s TYR 49 CO 0.00 0.29 0.09 0.42 -1.11 0.00 0.00 175.55 175.24 1uem s ILE 50 N -2.65 4.28 -0.11 2.71 1.01 0.10 -0.55 121.20 125.99 1uem s ILE 50 Ca 0.18 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 1uem s ILE 50 Cb -0.02 -3.16 0.03 0.00 0.01 0.00 0.00 42.46 39.32 1uem s ILE 50 CO 0.05 -0.07 -0.06 -0.63 0.00 0.00 0.00 174.94 174.23 1uem s ILE 51 N -1.69 0.93 0.17 2.92 1.01 -0.29 -1.25 121.20 122.99 1uem s ILE 51 Ca 0.30 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.74 1uem s ILE 51 Cb -0.10 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 1uem s ILE 51 CO 0.22 0.34 0.27 -1.61 0.00 0.00 0.00 174.94 174.16 1uem s GLU 52 N 1.75 3.36 0.08 2.79 2.02 0.41 -1.13 118.70 127.97 1uem s GLU 52 Ca 0.05 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.39 1uem s GLU 52 Cb -0.13 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.17 1uem s GLU 52 CO -0.08 0.50 -0.07 0.00 0.02 0.00 0.00 175.26 175.63 1uem s ALA 53 N -1.79 0.86 0.10 5.21 0.00 -0.12 -0.94 121.76 125.08 1uem s ALA 53 Ca 0.34 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 51.19 1uem s ALA 53 Cb -0.10 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1uem s ALA 53 CO 0.28 -0.15 -0.10 0.12 0.00 0.00 0.00 175.76 175.91 1uem s PHE 54 N -2.80 1.09 -0.25 0.00 2.19 -0.34 -0.49 117.98 117.38 1uem s PHE 54 Ca 0.04 -0.68 -0.11 0.00 0.33 0.00 0.00 56.93 56.51 1uem s PHE 54 Cb -0.00 -0.59 0.10 0.00 -1.31 0.00 0.00 43.02 41.21 1uem s PHE 54 CO -0.03 0.01 0.58 -1.54 1.83 0.00 0.00 175.22 176.07 1uem s SER 55 N -2.57 -0.80 0.54 6.13 1.04 -1.26 -0.66 113.70 116.12 1uem s SER 55 Ca 0.07 1.33 0.32 0.00 0.48 0.00 0.00 55.95 58.16 1uem s SER 55 Cb -0.02 1.60 1.45 0.00 0.10 0.00 0.00 66.02 69.16 1uem s SER 55 CO -0.00 -0.22 2.03 -0.61 0.98 0.00 0.00 173.24 175.41 1uem h GLN 56 N 7.62 0.00 -0.01 4.02 4.15 -1.94 -2.01 115.11 126.93 1uem h GLN 56 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1uem h GLN 56 Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1uem h GLN 56 CO 0.15 0.07 -0.26 0.45 -1.93 0.00 0.00 178.83 177.31 1uem n SER 57 N -3.25 1.69 -0.00 -0.69 2.88 -1.26 -4.41 113.62 108.57 1uem n SER 57 Ca -0.00 -1.34 -0.01 0.00 -1.33 0.00 0.00 58.87 56.19 1uem n SER 57 Cb 0.28 0.21 -0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 -0.05 0.25 -0.62 2.46 0.31 -1.04 -4.96 118.33 114.68 1uem n VAL 58 Ca 0.13 0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1uem n VAL 58 Cb 0.42 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 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 -2.76 0.00 -2.72 4.52 7.64 -1.18 -5.04 113.62 114.08 1uem n SER 59 Ca -0.01 -0.48 -0.18 0.00 1.01 0.00 0.00 58.87 59.21 1uem n SER 59 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -4.67 -4.14 6.43 5.15 -0.78 -4.98 115.26 112.27 1uem n ASN 60 Ca 0.00 -0.05 -0.14 0.00 -0.60 0.00 0.00 54.58 53.79 1uem n ASN 60 Cb 0.12 -3.89 -0.11 0.00 -0.53 0.00 0.00 39.78 35.37 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 -2.29 1.25 0.34 1.20 0.01 -1.26 -4.99 113.70 107.96 1uem s SER 61 Ca 0.13 -0.71 -0.27 0.00 1.31 0.00 0.00 55.95 56.41 1uem s SER 61 Cb -0.07 0.02 -0.09 0.00 0.21 0.00 0.00 66.02 66.09 1uem s SER 61 CO 0.17 -0.23 1.17 0.26 0.41 0.00 0.00 173.24 175.01 1uem s TRP 62 N -2.02 3.26 -0.03 2.43 0.52 -1.26 -4.02 118.94 117.82 1uem s TRP 62 Ca -0.00 1.58 0.01 0.00 0.02 0.00 0.00 56.10 57.71 1uem s TRP 62 Cb -0.06 -3.41 0.02 0.00 -1.15 0.00 0.00 33.47 28.87 1uem s TRP 62 CO -0.00 -1.13 -0.04 -0.65 0.02 0.00 0.00 176.95 175.15 1uem s GLN 63 N -1.88 0.66 -0.81 4.98 -0.21 0.36 -4.97 119.66 117.79 1uem s GLN 63 Ca 0.51 -0.11 -0.25 0.00 0.02 0.00 0.00 55.36 55.52 1uem s GLN 63 Cb -0.33 -0.68 -0.02 0.00 1.00 0.00 0.00 33.01 32.98 1uem s GLN 63 CO 0.42 -0.02 1.80 0.99 -2.12 0.00 0.00 175.29 176.36 1uem s THR 64 N 0.61 3.50 -0.05 -0.19 2.01 -1.26 -0.95 115.64 119.30 1uem s THR 64 Ca -0.08 -0.16 0.15 0.00 0.31 0.00 0.00 61.69 61.92 1uem s THR 64 Cb -0.11 -4.19 0.06 0.00 0.01 0.00 0.00 72.50 68.27 1uem s THR 64 CO -0.00 -1.13 1.51 -0.37 -0.69 0.00 0.00 174.62 173.94 1uem h VAL 65 N 6.98 0.93 -3.95 3.82 -1.51 -1.44 -3.43 116.25 117.64 1uem h VAL 65 Ca -0.04 -2.13 -0.26 0.00 -1.23 0.00 0.00 66.70 63.04 1uem h VAL 65 Cb 1.06 2.33 -0.23 0.00 -2.13 0.00 0.00 31.29 32.32 1uem h VAL 65 CO 1.25 0.50 -0.73 0.00 -1.23 0.00 0.00 177.57 177.35 1uem s ALA 66 N -3.11 0.43 0.02 5.19 0.00 -0.76 -4.92 121.76 118.61 1uem s ALA 66 Ca 0.03 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1uem s ALA 66 Cb 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 1uem s ALA 66 CO 0.73 -0.03 -0.09 1.21 0.00 0.00 0.00 175.76 177.59 1uem s ASN 67 N -1.22 1.02 -0.99 0.00 3.84 -1.26 -1.14 114.94 115.18 1uem s ASN 67 Ca -0.09 -0.31 -0.14 0.00 0.21 0.00 0.00 52.86 52.53 1uem s ASN 67 Cb -0.08 -0.06 0.00 0.00 -0.55 0.00 0.00 41.25 40.56 1uem s ASN 67 CO -0.00 -0.00 0.71 1.41 -2.79 0.00 0.00 177.10 176.42 1uem n HIS 68 N 2.29 -2.04 -2.85 0.43 8.25 -0.61 -4.98 115.22 115.71 1uem n HIS 68 Ca -0.17 0.61 -0.41 0.00 -0.26 0.00 0.00 57.72 57.50 1uem n HIS 68 Cb 0.56 -3.25 -0.04 0.00 1.12 0.00 0.00 29.99 28.38 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 -3.26 4.69 -0.58 1.59 1.01 0.29 -4.80 120.40 119.34 1uem s VAL 69 Ca 0.26 1.85 0.04 0.00 0.00 0.00 0.00 61.98 64.14 1uem s VAL 69 Cb -0.11 -4.22 0.36 0.00 0.00 0.00 0.00 36.38 32.41 1uem s VAL 69 CO 0.87 0.30 1.10 0.29 0.00 0.00 0.00 175.10 177.66 1uem n LYS 70 N 3.05 3.44 -3.82 2.72 5.02 -1.26 -0.95 118.16 126.35 1uem n LYS 70 Ca 0.01 -4.70 -0.07 0.00 -2.02 0.00 0.00 58.31 51.52 1uem n LYS 70 Cb 0.50 -2.26 0.01 0.00 -0.02 0.00 0.00 35.03 33.26 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 -4.81 0.00 -1.43 -0.18 -1.32 -1.26 -5.04 115.64 101.60 1uem s THR 71 Ca 0.48 -0.93 0.11 0.00 -1.21 0.00 0.00 61.69 60.14 1uem s THR 71 Cb 0.32 -2.66 0.09 0.00 -1.51 0.00 0.00 72.50 68.74 1uem s THR 71 CO -0.16 0.00 0.86 0.35 -2.21 0.00 0.00 174.62 173.46 1uem n THR 72 N -0.53 0.00 -3.49 5.08 -2.24 -1.26 -4.93 114.28 106.90 1uem n THR 72 Ca -0.07 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 60.98 1uem n THR 72 Cb 0.60 1.24 -0.13 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.95 0.19 -0.06 3.22 2.96 -1.26 -2.45 118.68 120.33 1uem s LEU 73 Ca 0.13 -0.96 -0.00 0.00 -0.22 0.00 0.00 54.13 53.08 1uem s LEU 73 Cb 0.10 0.02 0.02 0.00 0.50 0.00 0.00 46.19 46.83 1uem s LEU 73 CO 0.14 -0.41 -0.03 -0.47 -1.32 0.00 0.00 176.35 174.27 1uem s TYR 74 N 2.22 0.82 -0.67 5.38 5.04 -0.57 -4.96 117.35 124.60 1uem s TYR 74 Ca 0.08 -0.26 -0.26 0.00 -2.44 0.00 0.00 57.07 54.19 1uem s TYR 74 Cb -0.15 -0.80 -0.02 0.00 0.35 0.00 0.00 41.96 41.34 1uem s TYR 74 CO -0.31 -0.29 1.82 0.99 -1.34 0.00 0.00 175.55 176.41 1uem s THR 75 N 1.46 3.41 0.48 4.34 2.01 -1.26 -0.95 115.64 125.13 1uem s THR 75 Ca -0.02 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.87 1uem s THR 75 Cb -0.13 -4.05 -0.07 0.00 0.01 0.00 0.00 72.50 68.26 1uem s THR 75 CO -0.03 -1.01 1.18 -0.69 -0.69 0.00 0.00 174.62 173.37 1uem s VAL 76 N 8.88 3.01 0.28 3.82 1.01 0.51 -4.93 120.40 132.99 1uem s VAL 76 Ca 0.65 0.74 0.06 0.00 0.00 0.00 0.00 61.98 63.42 1uem s VAL 76 Cb -0.11 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1uem s VAL 76 CO 0.16 -0.03 0.25 0.54 0.00 0.00 0.00 175.10 176.03 1uem n ARG 77 N -0.68 0.37 -3.06 2.72 1.74 -1.26 -1.77 116.66 114.71 1uem n ARG 77 Ca 0.08 -2.76 -0.13 0.00 -0.77 0.00 0.00 57.85 54.27 1uem n ARG 77 Cb 0.48 2.30 0.07 0.00 -1.02 0.00 0.00 32.46 34.29 1uem n ARG 77 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uem n GLY 78 N -0.53 -0.15 0.00 -0.13 0.00 -0.71 -4.91 105.19 98.76 1uem n GLY 78 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.33 0.00 -4.06 0.99 4.77 -0.74 -5.07 117.00 109.56 1uem n LEU 79 Ca -0.21 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.57 1uem n LEU 79 Cb 0.62 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.56 1uem n LEU 79 CO 0.45 -0.01 -0.45 -0.13 -1.33 0.00 0.00 177.39 175.92 1uem s ARG 80 N 1.30 0.96 0.76 3.23 0.52 -1.26 -4.77 118.95 119.69 1uem s ARG 80 Ca 0.00 -0.41 -0.11 0.00 -0.52 0.00 0.00 55.73 54.69 1uem s ARG 80 Cb 0.00 -0.92 0.05 0.00 0.52 0.00 0.00 34.95 34.60 1uem s ARG 80 CO 0.00 0.24 1.09 -1.25 0.02 0.00 0.00 175.30 175.39 1uem s PRO 81 N -0.23 2.34 -0.85 3.54 0.04 -0.63 -3.68 135.00 135.53 1uem s PRO 81 Ca 0.04 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1uem s PRO 81 Cb -0.05 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1uem s PRO 81 CO -0.00 -1.57 0.00 0.09 0.04 0.00 0.00 177.00 175.56 1uem n ASN 82 N -3.46 -2.35 -4.11 6.66 4.13 -1.13 -4.91 115.26 110.08 1uem n ASN 82 Ca 0.09 0.22 -0.32 0.00 1.68 0.00 0.00 54.58 56.25 1uem n ASN 82 Cb 0.53 -2.30 -0.16 0.00 -1.54 0.00 0.00 39.78 36.30 1uem n ASN 82 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1uem s THR 83 N -1.84 1.95 0.54 3.41 2.01 -1.24 -4.85 115.64 115.61 1uem s THR 83 Ca 0.00 -0.88 -0.22 0.00 0.31 0.00 0.00 61.69 60.90 1uem s THR 83 Cb 0.00 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 1uem s THR 83 CO 0.00 0.52 1.30 -0.38 -0.69 0.00 0.00 174.62 175.37 1uem n ILE 84 N 4.50 3.69 -4.16 1.82 2.08 -1.26 -3.13 119.36 122.90 1uem n ILE 84 Ca -0.20 -0.50 -0.10 0.00 0.56 0.00 0.00 62.75 62.51 1uem n ILE 84 Cb 0.50 -1.58 -0.10 0.00 -0.75 0.00 0.00 39.64 37.71 1uem n ILE 84 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1uem s TYR 85 N -1.30 0.87 0.30 1.39 1.51 -0.78 -4.57 117.35 114.76 1uem s TYR 85 Ca 0.71 -0.92 0.09 0.00 -1.01 0.00 0.00 57.07 55.94 1uem s TYR 85 Cb -0.43 -0.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 1uem s TYR 85 CO 0.50 -0.16 0.07 -0.51 -1.11 0.00 0.00 175.55 174.34 1uem s LEU 86 N -3.02 3.24 -0.02 -1.29 1.43 0.17 -1.06 118.68 118.13 1uem s LEU 86 Ca 0.11 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.47 1uem s LEU 86 Cb 0.05 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1uem s LEU 86 CO -0.05 -0.15 0.08 -0.36 0.23 0.00 0.00 176.35 176.10 1uem s PHE 87 N -2.37 -0.02 0.03 0.29 0.08 -1.26 -1.20 117.98 113.53 1uem s PHE 87 Ca 0.34 0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.46 1uem s PHE 87 Cb -0.04 -0.02 -0.02 0.00 -0.57 0.00 0.00 43.02 42.37 1uem s PHE 87 CO 0.21 -0.12 -0.05 -1.64 -0.10 0.00 0.00 175.22 173.53 1uem s MET 88 N -0.46 0.37 0.10 0.44 -1.94 -0.11 -2.12 119.30 115.59 1uem s MET 88 Ca -0.05 -0.61 0.06 0.00 -1.71 0.00 0.00 55.69 53.38 1uem s MET 88 Cb -0.03 -0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.71 1uem s MET 88 CO 0.00 -0.01 -0.05 0.08 -0.01 0.00 0.00 175.02 175.03 1uem s VAL 89 N -1.30 3.65 0.07 -6.03 1.01 -1.26 -0.45 120.40 116.09 1uem s VAL 89 Ca -0.12 -1.17 0.06 0.00 0.00 0.00 0.00 61.98 60.74 1uem s VAL 89 Cb -0.09 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1uem s VAL 89 CO -0.00 0.10 -0.16 -0.13 0.00 0.00 0.00 175.10 174.90 1uem s ARG 90 N -2.31 0.95 0.34 2.72 0.52 -0.38 -1.72 118.95 119.07 1uem s ARG 90 Ca 0.24 -0.94 -0.11 0.00 -0.52 0.00 0.00 55.73 54.39 1uem s ARG 90 Cb -0.11 -1.01 -0.07 0.00 0.52 0.00 0.00 34.95 34.27 1uem s ARG 90 CO 0.16 0.24 0.71 0.00 0.02 0.00 0.00 175.30 176.42 1uem s ALA 91 N -1.10 3.39 0.12 2.13 0.00 -1.26 -0.72 121.76 124.32 1uem s ALA 91 Ca 0.01 -0.16 0.09 0.00 0.00 0.00 0.00 51.96 51.90 1uem s ALA 91 Cb -0.09 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1uem s ALA 91 CO 0.02 0.21 -0.21 0.42 0.00 0.00 0.00 175.76 176.20 1uem s ILE 92 N -2.13 1.81 0.29 0.00 1.01 0.62 -0.90 121.20 121.91 1uem s ILE 92 Ca 0.51 -1.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.48 1uem s ILE 92 Cb -0.10 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1uem s ILE 92 CO 0.25 -0.09 0.39 0.54 0.00 0.00 0.00 174.94 176.03 1uem s ASN 93 N -2.08 0.61 0.00 3.58 4.22 -0.71 -0.44 114.94 120.12 1uem s ASN 93 Ca 0.09 -1.37 0.00 0.00 -2.14 0.00 0.00 52.86 49.45 1uem s ASN 93 Cb -0.09 0.58 0.00 0.00 1.28 0.00 0.00 41.25 43.02 1uem s ASN 93 CO 0.05 -1.15 0.81 -0.81 -2.04 0.00 0.00 177.10 173.95 1uem n PRO 94 N -0.47 0.83 0.03 3.55 -0.04 -1.26 -3.62 135.00 134.02 1uem n PRO 94 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1uem n PRO 94 Cb 0.63 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 1uem n PRO 94 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1uem n GLN 95 N 0.56 0.00 0.00 0.54 7.27 -1.26 -5.16 117.38 119.33 1uem n GLN 95 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1uem n GLN 95 Cb 0.40 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.05 1uem n GLN 95 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1uem n GLY 96 N 1.42 2.53 3.25 1.69 0.00 -1.24 -5.19 105.19 107.65 1uem n GLY 96 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 1.24 0.81 0.99 0.05 -1.26 -1.75 118.68 118.76 1uem s LEU 97 Ca 0.00 -1.18 -0.12 0.00 0.05 0.00 0.00 54.13 52.89 1uem s LEU 97 Cb 0.00 0.66 0.08 0.00 -2.05 0.00 0.00 46.19 44.87 1uem s LEU 97 CO 0.00 -0.84 1.10 -0.94 -0.55 0.00 0.00 176.35 175.12 1uem s SER 98 N -3.07 4.42 0.67 1.48 1.04 -0.07 -4.87 113.70 113.29 1uem s SER 98 Ca 0.28 1.24 -0.17 0.00 0.48 0.00 0.00 55.95 57.78 1uem s SER 98 Cb 0.06 -1.96 -0.05 0.00 0.10 0.00 0.00 66.02 64.17 1uem s SER 98 CO 0.06 -2.01 0.64 0.47 0.98 0.00 0.00 173.24 173.38 1uem n ASP 99 N -3.45 -0.69 -4.77 7.02 8.00 -1.26 -4.73 116.55 116.67 1uem n ASP 99 Ca 0.07 0.66 -0.39 0.00 0.71 0.00 0.00 54.79 55.84 1uem n ASP 99 Cb 0.57 -1.25 -0.02 0.00 -0.02 0.00 0.00 41.12 40.40 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 -2.66 4.17 0.99 -0.24 0.04 -1.26 -4.64 135.00 131.40 1uem s PRO 100 Ca 0.69 2.00 -0.11 0.00 0.04 0.00 0.00 61.00 63.62 1uem s PRO 100 Cb -0.38 -2.85 0.17 0.00 0.04 0.00 0.00 34.50 31.48 1uem s PRO 100 CO 0.54 -0.27 1.02 -1.13 0.04 0.00 0.00 177.00 177.21 1uem n SER 101 N 0.39 -0.42 -4.66 6.66 3.41 -0.70 -4.93 113.62 113.37 1uem n SER 101 Ca 0.02 0.27 -0.47 0.00 -0.26 0.00 0.00 58.87 58.43 1uem n SER 101 Cb 0.44 -1.39 -0.04 0.00 -0.26 0.00 0.00 64.21 62.96 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 -4.14 2.04 -1.38 4.33 -0.02 -1.26 -4.74 135.00 129.83 1uem n PRO 102 Ca 0.09 0.74 -0.37 0.00 -2.02 0.00 0.00 63.50 61.93 1uem n PRO 102 Cb 0.53 -2.49 0.05 0.00 -0.02 0.00 0.00 33.50 31.57 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 3.37 0.42 0.07 -0.52 2.81 -1.26 -4.06 117.12 117.95 1uem n MET 103 Ca 0.17 0.17 0.05 0.00 -1.81 0.00 0.00 57.70 56.29 1uem n MET 103 Cb 0.28 -1.74 0.28 0.00 -0.71 0.00 0.00 33.22 31.33 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 0.24 0.26 -1.10 7.83 3.41 -0.90 -4.73 113.62 118.63 1uem n SER 104 Ca 0.11 0.62 0.06 0.00 -0.26 0.00 0.00 58.87 59.40 1uem n SER 104 Cb 0.49 -0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.85 -5.97 -4.75 4.04 2.03 -1.26 -4.80 116.55 103.98 1uem n ASP 105 Ca -0.00 1.23 -0.41 0.00 0.52 0.00 0.00 54.79 56.12 1uem n ASP 105 Cb 0.02 -3.55 -0.03 0.00 -0.72 0.00 0.00 41.12 36.84 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 -4.50 4.47 -0.08 -0.67 0.04 -1.26 -4.72 135.00 128.28 1uem s PRO 106 Ca 0.00 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.04 1uem s PRO 106 Cb 0.00 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.39 1uem s PRO 106 CO 0.00 -0.08 -0.08 0.14 0.04 0.00 0.00 177.00 177.01 1uem s VAL 107 N -0.57 0.92 -0.12 -0.36 -7.23 -0.23 -4.94 120.40 107.88 1uem s VAL 107 Ca 0.51 -0.30 -0.22 0.00 -1.81 0.00 0.00 61.98 60.16 1uem s VAL 107 Cb -0.35 -0.91 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 1uem s VAL 107 CO 0.42 0.33 0.64 -0.60 -0.31 0.00 0.00 175.10 175.58 1uem s ARG 108 N 1.17 4.34 0.78 4.82 3.52 -1.26 -1.87 118.95 130.44 1uem s ARG 108 Ca -0.06 0.72 -0.12 0.00 -0.13 0.00 0.00 55.73 56.14 1uem s ARG 108 Cb -0.14 -3.49 0.07 0.00 -1.56 0.00 0.00 34.95 29.82 1uem s ARG 108 CO -0.02 -0.03 1.13 0.95 -0.81 0.00 0.00 175.30 176.52 1uem s THR 109 N 1.18 2.80 1.15 4.11 -4.23 -1.18 -4.96 115.64 114.50 1uem s THR 109 Ca 0.32 0.30 -0.16 0.00 -1.18 0.00 0.00 61.69 60.98 1uem s THR 109 Cb -0.16 -2.69 0.26 0.00 1.34 0.00 0.00 72.50 71.24 1uem s THR 109 CO 0.14 -0.30 1.06 -1.10 -0.54 0.00 0.00 174.62 173.88 1uem s GLN 110 N -4.50 -0.78 0.00 3.99 -0.21 -1.26 -3.71 119.66 113.19 1uem s GLN 110 Ca 0.66 0.37 0.07 0.00 0.02 0.00 0.00 55.36 56.48 1uem s GLN 110 Cb -0.21 -1.61 0.39 0.00 1.00 0.00 0.00 33.01 32.58 1uem s GLN 110 CO 0.52 -3.51 1.25 -0.25 -2.12 0.00 0.00 175.29 171.18 1uem n ASP 111 N -4.70 0.14 -2.56 5.90 9.92 -1.26 -2.86 116.55 121.14 1uem n ASP 111 Ca 0.07 -1.81 -0.21 0.00 -0.53 0.00 0.00 54.79 52.32 1uem n ASP 111 Cb 0.58 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.04 1uem n ASP 111 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1uem n SER 112 N -0.52 -5.90 -3.32 -2.24 2.88 -1.26 -4.91 113.62 98.35 1uem n SER 112 Ca 0.05 -0.08 -0.25 0.00 -1.33 0.00 0.00 58.87 57.26 1uem n SER 112 Cb 0.04 -4.88 -0.08 0.00 -0.75 0.00 0.00 64.21 58.54 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 -1.13 3.00 3.62 0.46 0.00 -1.26 -5.12 105.19 104.76 1uem n GLY 113 Ca -0.21 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.04 -0.99 0.28 1.61 0.04 -1.26 -5.11 135.00 128.52 1uem s PRO 114 Ca 0.34 -0.03 0.05 0.00 0.04 0.00 0.00 61.00 61.40 1uem s PRO 114 Cb 0.12 -1.62 -0.02 0.00 0.04 0.00 0.00 34.50 33.02 1uem s PRO 114 CO -0.12 -3.57 0.18 0.45 0.04 0.00 0.00 177.00 173.98 1uem n SER 115 N -4.66 0.11 -3.85 6.66 2.88 -1.26 -5.16 113.62 108.34 1uem n SER 115 Ca 0.12 -2.69 -0.28 0.00 -1.33 0.00 0.00 58.87 54.70 1uem n SER 115 Cb 0.59 1.11 -0.17 0.00 -0.75 0.00 0.00 64.21 64.99 1uem n SER 115 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uem s SER 116 N -2.86 2.76 0.00 -3.46 1.04 -1.26 -5.30 113.70 104.62 1uem s SER 116 Ca 0.25 -0.66 0.25 0.00 0.48 0.00 0.00 55.95 56.27 1uem s SER 116 Cb 0.01 -0.82 1.48 0.00 0.10 0.00 0.00 66.02 66.79 1uem s SER 116 CO 0.18 -0.21 1.84 0.61 0.98 0.00 0.00 173.24 176.63