#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 -8.47 -3.22 1.61 7.64 -1.26 -5.11 113.62 104.81 1uem n SER 2 Ca 0.00 1.27 0.03 0.00 1.01 0.00 0.00 58.87 61.18 1uem n SER 2 Cb 0.00 -4.74 -0.01 0.00 -1.01 0.00 0.00 64.21 58.44 1uem n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uem s SER 3 N -0.62 -1.28 0.00 6.43 1.04 -1.26 -5.12 113.70 112.89 1uem s SER 3 Ca 0.00 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1uem s SER 3 Cb 0.00 2.13 0.00 0.00 0.10 0.00 0.00 66.02 68.25 1uem s SER 3 CO 0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1uem n GLY 4 N 5.43 1.49 1.76 7.32 0.00 -1.26 -5.11 105.19 114.82 1uem n GLY 4 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.10 -4.72 1.61 7.64 -1.26 -5.06 113.62 110.73 1uem n SER 5 Ca 0.00 0.26 -0.42 0.00 1.01 0.00 0.00 58.87 59.72 1uem n SER 5 Cb 0.00 1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 64.50 1uem n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uem s SER 6 N -2.00 7.14 0.00 6.43 0.01 -1.26 -4.99 113.70 119.02 1uem s SER 6 Ca 0.00 2.02 0.00 0.00 1.31 0.00 0.00 55.95 59.28 1uem s SER 6 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1uem s SER 6 CO 0.00 -0.40 0.97 0.61 0.41 0.00 0.00 173.24 174.83 1uem n GLY 7 N 2.88 -2.61 2.50 3.44 0.00 -1.26 -4.42 105.19 105.71 1uem n GLY 7 Ca 0.07 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1uem n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1uem n LYS 8 N -2.10 0.81 -3.40 1.61 4.81 -1.26 -4.97 118.16 113.65 1uem n LYS 8 Ca 0.00 -3.60 -0.29 0.00 -0.87 0.00 0.00 58.31 53.54 1uem n LYS 8 Cb 0.00 -1.81 0.03 0.00 0.02 0.00 0.00 35.03 33.27 1uem n LYS 8 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1uem n ASN 9 N 2.32 -5.88 -4.15 3.14 4.13 -1.26 -5.04 115.26 108.52 1uem n ASN 9 Ca 0.26 0.02 -0.10 0.00 1.68 0.00 0.00 54.58 56.44 1uem n ASN 9 Cb 0.45 -1.90 -0.10 0.00 -1.54 0.00 0.00 39.78 36.68 1uem n ASN 9 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1uem s TYR 10 N -1.44 0.85 0.00 3.10 2.02 -1.26 -4.90 117.35 115.72 1uem s TYR 10 Ca 0.30 -1.22 0.00 0.00 -0.37 0.00 0.00 57.07 55.78 1uem s TYR 10 Cb -0.03 -0.48 0.00 0.00 -0.40 0.00 0.00 41.96 41.05 1uem s TYR 10 CO 0.70 -0.50 0.00 -0.40 -1.57 0.00 0.00 175.55 173.78 1uem n ASP 11 N -0.09 0.00 0.00 2.29 5.75 -1.26 -4.98 116.55 118.26 1uem n ASP 11 Ca -0.06 -0.45 0.00 0.00 -0.01 0.00 0.00 54.79 54.27 1uem n ASP 11 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 1uem n ASP 11 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1uem n LEU 12 N 0.00 0.62 -4.93 -2.12 4.77 -1.26 -5.08 117.00 109.00 1uem n LEU 12 Ca 0.00 -0.62 -0.26 0.00 -0.03 0.00 0.00 56.01 55.11 1uem n LEU 12 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1uem n LEU 12 CO 0.00 0.15 0.51 -0.44 -1.33 0.00 0.00 177.39 176.28 1uem s SER 13 N -0.02 5.48 0.04 -1.43 0.01 -1.26 -5.01 113.70 111.50 1uem s SER 13 Ca 0.00 0.58 -0.23 0.00 1.31 0.00 0.00 55.95 57.62 1uem s SER 13 Cb 0.00 -1.55 -0.15 0.00 0.21 0.00 0.00 66.02 64.53 1uem s SER 13 CO 0.00 -1.11 1.45 0.44 0.41 0.00 0.00 173.24 174.43 1uem h ASP 14 N -0.16 0.14 -3.88 2.44 5.19 -2.03 -3.46 116.42 114.66 1uem h ASP 14 Ca -0.45 -0.33 -0.56 0.00 -0.62 0.00 0.00 57.03 55.07 1uem h ASP 14 Cb 1.27 -0.04 0.14 0.00 0.18 0.00 0.00 39.33 40.88 1uem h ASP 14 CO 0.60 0.43 0.50 0.18 -3.12 0.00 0.00 179.24 177.84 1uem n LEU 15 N -4.83 5.05 -4.71 1.55 4.77 -1.26 -4.06 117.00 113.50 1uem n LEU 15 Ca -0.07 0.96 -0.33 0.00 -0.03 0.00 0.00 56.01 56.55 1uem n LEU 15 Cb 0.20 -1.53 0.11 0.00 -2.33 0.00 0.00 43.42 39.87 1uem n LEU 15 CO 0.35 -0.82 0.75 -2.16 -1.33 0.00 0.00 177.39 174.17 1uem s PRO 16 N -2.79 1.83 0.66 3.23 0.04 -1.26 -4.90 135.00 131.82 1uem s PRO 16 Ca 0.71 1.60 -0.17 0.00 0.04 0.00 0.00 61.00 63.19 1uem s PRO 16 Cb -0.43 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1uem s PRO 16 CO 0.50 -2.03 1.21 0.20 0.04 0.00 0.00 177.00 176.92 1uem s GLY 17 N -2.42 2.55 0.35 0.56 0.00 -1.08 -4.24 107.32 103.05 1uem s GLY 17 Ca 0.70 0.96 -0.28 0.00 0.00 0.00 0.00 44.72 46.10 1uem s GLY 17 CO 0.50 1.36 1.27 2.56 0.00 0.00 0.00 173.10 178.79 1uem s PRO 18 N -3.63 4.24 0.67 2.90 0.04 -1.26 -4.43 135.00 133.53 1uem s PRO 18 Ca 0.76 2.12 -0.16 0.00 0.04 0.00 0.00 61.00 63.76 1uem s PRO 18 Cb -0.30 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1uem s PRO 18 CO 0.40 -0.25 1.17 -1.25 0.04 0.00 0.00 177.00 177.11 1uem s PRO 19 N -1.94 2.61 1.10 0.56 0.04 -1.26 -4.24 135.00 131.87 1uem s PRO 19 Ca 0.52 1.63 -0.18 0.00 0.04 0.00 0.00 61.00 63.01 1uem s PRO 19 Cb -0.38 -1.90 0.25 0.00 0.04 0.00 0.00 34.50 32.51 1uem s PRO 19 CO 0.49 -1.44 1.20 -1.12 0.04 0.00 0.00 177.00 176.17 1uem s SER 20 N -2.12 1.83 -0.29 6.66 0.01 -1.17 -4.22 113.70 114.40 1uem s SER 20 Ca 0.72 0.48 -0.41 0.00 1.31 0.00 0.00 55.95 58.06 1uem s SER 20 Cb -0.26 -0.64 -0.16 0.00 0.21 0.00 0.00 66.02 65.17 1uem s SER 20 CO 0.40 -3.55 1.72 1.17 0.41 0.00 0.00 173.24 173.40 1uem n LYS 21 N -4.35 1.06 -1.95 12.44 4.81 -1.26 -4.57 118.16 124.34 1uem n LYS 21 Ca 0.14 0.39 -0.41 0.00 -0.87 0.00 0.00 58.31 57.56 1uem n LYS 21 Cb 0.59 -2.06 -0.02 0.00 0.02 0.00 0.00 35.03 33.57 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 3.44 4.23 -0.17 1.64 0.04 -1.26 -4.72 135.00 138.19 1uem s PRO 22 Ca 0.99 2.39 0.01 0.00 0.04 0.00 0.00 61.00 64.43 1uem s PRO 22 Cb -1.10 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 30.40 1uem s PRO 22 CO 0.67 -0.42 -0.20 -0.65 0.04 0.00 0.00 177.00 176.43 1uem s GLN 23 N -1.17 3.00 0.56 4.56 -0.21 0.11 -4.34 119.66 122.16 1uem s GLN 23 Ca 0.56 -0.83 -0.20 0.00 0.02 0.00 0.00 55.36 54.91 1uem s GLN 23 Cb -0.43 -2.54 -0.05 0.00 1.00 0.00 0.00 33.01 30.98 1uem s GLN 23 CO 0.51 -0.17 1.20 0.14 -2.12 0.00 0.00 175.29 174.86 1uem s VAL 24 N 1.19 2.75 0.00 1.09 -7.23 -1.26 -0.37 120.40 116.56 1uem s VAL 24 Ca 0.02 0.49 0.00 0.00 -1.81 0.00 0.00 61.98 60.68 1uem s VAL 24 Cb -0.14 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.59 1uem s VAL 24 CO -0.11 -0.08 0.00 0.35 -0.31 0.00 0.00 175.10 174.96 1uem n THR 25 N -1.30 0.00 -2.11 5.32 -2.24 0.45 -4.89 114.28 109.51 1uem n THR 25 Ca 0.12 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.51 1uem n THR 25 Cb 0.49 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 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 6.28 -0.02 3.42 2.15 -1.26 -4.86 116.67 123.37 1uem s ASP 26 Ca 0.00 2.56 -0.02 0.00 0.43 0.00 0.00 52.55 55.52 1uem s ASP 26 Cb 0.00 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1uem s ASP 26 CO 0.00 -0.87 0.06 0.54 -0.17 0.00 0.00 175.17 174.74 1uem s VAL 27 N -1.32 0.02 0.00 1.11 0.11 -1.26 -0.48 120.40 118.58 1uem s VAL 27 Ca 0.58 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 1uem s VAL 27 Cb -0.36 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1uem s VAL 27 CO 0.45 -0.08 0.00 0.35 -3.33 0.00 0.00 175.10 172.49 1uem n THR 28 N 2.77 0.00 0.30 5.04 -2.24 -0.08 -4.82 114.28 115.25 1uem n THR 28 Ca -0.14 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.80 1uem n THR 28 Cb 0.59 0.00 0.93 0.00 -2.10 0.00 0.00 70.33 69.74 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 -1.75 -0.76 116.57 115.38 1uem h LYS 29 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1uem h LYS 29 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1uem h LYS 29 CO 0.00 0.03 -0.01 0.27 -2.00 0.00 0.00 179.45 177.74 1uem n ASN 30 N -3.61 0.00 -4.53 7.07 0.23 -1.26 -2.51 115.26 110.65 1uem n ASN 30 Ca -0.03 -1.02 -0.25 0.00 -0.53 0.00 0.00 54.58 52.75 1uem n ASN 30 Cb 0.13 -0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.72 1uem n ASN 30 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1uem s SER 31 N -0.02 3.65 -0.19 0.53 0.01 -1.26 -1.75 113.70 114.67 1uem s SER 31 Ca 0.00 -1.18 -0.13 0.00 1.31 0.00 0.00 55.95 55.94 1uem s SER 31 Cb 0.00 -0.33 0.06 0.00 0.21 0.00 0.00 66.02 65.95 1uem s SER 31 CO 0.00 -0.19 0.48 0.54 0.41 0.00 0.00 173.24 174.48 1uem s VAL 32 N -2.63 -0.01 -0.36 3.43 0.11 -0.69 -0.90 120.40 119.35 1uem s VAL 32 Ca 0.32 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 59.19 1uem s VAL 32 Cb 0.02 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1uem s VAL 32 CO 0.16 0.02 0.74 -0.89 -3.33 0.00 0.00 175.10 171.79 1uem s THR 33 N 0.95 4.78 -0.03 5.04 2.01 0.37 -0.74 115.64 128.02 1uem s THR 33 Ca -0.06 0.78 -0.15 0.00 0.31 0.00 0.00 61.69 62.58 1uem s THR 33 Cb -0.06 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 1uem s THR 33 CO -0.08 -0.40 0.39 -0.76 -0.69 0.00 0.00 174.62 173.09 1uem s LEU 34 N 2.97 4.44 -0.04 4.42 1.43 0.19 -0.41 118.68 131.67 1uem s LEU 34 Ca 0.29 0.90 0.06 0.00 -1.03 0.00 0.00 54.13 54.34 1uem s LEU 34 Cb -0.14 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 1uem s LEU 34 CO 0.16 0.29 -0.22 -0.55 0.23 0.00 0.00 176.35 176.26 1uem s SER 35 N -0.83 3.40 0.21 2.29 0.15 0.50 -1.26 113.70 118.16 1uem s SER 35 Ca 0.23 -0.39 -0.00 0.00 0.70 0.00 0.00 55.95 56.49 1uem s SER 35 Cb -0.16 -0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 63.43 1uem s SER 35 CO 0.12 0.30 0.14 -1.66 1.20 0.00 0.00 173.24 173.35 1uem s TRP 36 N -0.49 1.23 -0.01 3.44 -2.14 -0.40 0.04 118.94 120.62 1uem s TRP 36 Ca 0.06 -1.40 -0.09 0.00 2.66 0.00 0.00 56.10 57.33 1uem s TRP 36 Cb -0.11 -0.59 -0.05 0.00 -3.10 0.00 0.00 33.47 29.62 1uem s TRP 36 CO 0.01 -0.65 0.30 1.14 -2.66 0.00 0.00 176.95 175.09 1uem s GLN 37 N -4.09 3.67 0.02 3.25 1.03 -1.26 -4.78 119.66 117.50 1uem s GLN 37 Ca 0.39 0.09 -0.30 0.00 0.04 0.00 0.00 55.36 55.58 1uem s GLN 37 Cb 0.07 -3.13 -0.05 0.00 0.03 0.00 0.00 33.01 29.93 1uem s GLN 37 CO 0.14 0.67 1.17 -1.25 -2.54 0.00 0.00 175.29 173.48 1uem s PRO 38 N -1.44 4.42 0.88 9.60 0.04 -1.26 -3.07 135.00 144.17 1uem s PRO 38 Ca 0.25 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 1uem s PRO 38 Cb -0.14 -3.43 0.12 0.00 0.04 0.00 0.00 34.50 31.09 1uem s PRO 38 CO 0.13 -0.30 1.12 0.20 0.04 0.00 0.00 177.00 178.19 1uem s GLY 39 N 1.20 1.59 0.42 0.56 0.00 -1.26 -4.94 107.32 104.89 1uem s GLY 39 Ca 0.57 -0.39 -0.11 0.00 0.00 0.00 0.00 44.72 44.79 1uem s GLY 39 CO 0.27 0.12 0.80 -1.59 0.00 0.00 0.00 173.10 172.70 1uem s THR 40 N -3.21 4.76 0.00 0.90 2.01 -1.26 -4.83 115.64 114.01 1uem s THR 40 Ca 0.63 0.67 0.00 0.00 0.31 0.00 0.00 61.69 63.30 1uem s THR 40 Cb -0.15 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.62 1uem s THR 40 CO 0.54 -0.56 0.00 -0.81 -0.69 0.00 0.00 174.62 173.10 1uem n PRO 41 N -1.37 1.20 0.00 4.92 -0.04 -1.26 -2.63 135.00 135.81 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 0.54 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 2.21 -0.70 0.09 0.55 0.00 -1.26 -4.62 105.19 101.47 1uem n GLY 42 Ca 0.00 0.50 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 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 0.96 -3.85 2.61 1.35 -1.91 -3.45 112.91 108.62 1uem h THR 43 Ca 0.00 -0.05 -0.18 0.00 -0.55 0.00 0.00 66.41 65.64 1uem h THR 43 Cb 0.00 0.81 -0.22 0.00 -1.73 0.00 0.00 68.15 67.01 1uem h THR 43 CO 0.00 0.03 -0.67 -0.76 -0.25 0.00 0.00 175.52 173.87 1uem s LEU 44 N -10.25 2.08 0.28 3.87 1.43 -1.26 -5.14 118.68 109.68 1uem s LEU 44 Ca -0.13 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.33 1uem s LEU 44 Cb 0.09 0.18 -0.09 0.00 0.03 0.00 0.00 46.19 46.39 1uem s LEU 44 CO 0.68 -0.25 1.00 -2.16 0.23 0.00 0.00 176.35 175.85 1uem s PRO 45 N -1.17 4.70 -0.29 1.29 0.04 -1.26 -4.78 135.00 133.53 1uem s PRO 45 Ca -0.13 1.56 -0.28 0.00 0.04 0.00 0.00 61.00 62.20 1uem s PRO 45 Cb -0.08 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 1uem s PRO 45 CO -0.00 0.34 2.01 0.00 0.04 0.00 0.00 177.00 179.38 1uem s ALA 46 N -1.27 2.74 0.04 8.56 0.00 -1.26 -4.37 121.76 126.19 1uem s ALA 46 Ca 0.45 0.46 -0.27 0.00 0.00 0.00 0.00 51.96 52.59 1uem s ALA 46 Cb -0.26 -4.06 -0.15 0.00 0.00 0.00 0.00 23.12 18.65 1uem s ALA 46 CO 0.33 -2.80 1.36 0.77 0.00 0.00 0.00 175.76 175.42 1uem h SER 47 N 14.13 -0.83 -0.87 0.00 0.02 -0.83 -3.48 113.55 121.70 1uem h SER 47 Ca -0.36 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1uem h SER 47 Cb 1.20 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1uem h SER 47 CO 1.01 -0.58 0.00 0.00 -1.14 0.00 0.00 176.83 176.12 1uem n ALA 48 N -2.52 0.00 -2.49 3.77 0.00 -1.15 -4.95 120.51 113.17 1uem n ALA 48 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.08 1uem n ALA 48 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 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 -5.46 2.24 0.31 0.00 2.02 0.79 -0.46 117.35 116.79 1uem s TYR 49 Ca 0.00 -0.52 0.10 0.00 -0.37 0.00 0.00 57.07 56.28 1uem s TYR 49 Cb 0.00 -1.22 -0.05 0.00 -0.40 0.00 0.00 41.96 40.29 1uem s TYR 49 CO 0.00 0.52 -0.03 0.42 -1.57 0.00 0.00 175.55 174.90 1uem s ILE 50 N -2.71 2.82 -0.08 2.71 1.01 0.38 -0.92 121.20 124.41 1uem s ILE 50 Ca 0.31 -2.03 0.03 0.00 0.00 0.00 0.00 60.65 58.95 1uem s ILE 50 Cb 0.01 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.77 1uem s ILE 50 CO 0.15 -0.28 -0.16 -0.63 0.00 0.00 0.00 174.94 174.02 1uem s ILE 51 N -2.47 1.42 0.12 2.92 1.01 -0.02 -1.80 121.20 122.38 1uem s ILE 51 Ca 0.33 -0.64 0.07 0.00 0.00 0.00 0.00 60.65 60.41 1uem s ILE 51 Cb -0.03 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1uem s ILE 51 CO 0.19 0.42 -0.08 -1.61 0.00 0.00 0.00 174.94 173.85 1uem s GLU 52 N 0.59 2.17 0.19 2.79 2.02 -0.13 -1.21 118.70 125.11 1uem s GLU 52 Ca -0.15 -1.05 0.06 0.00 0.02 0.00 0.00 54.97 53.85 1uem s GLU 52 Cb -0.16 -2.31 -0.05 0.00 0.10 0.00 0.00 34.13 31.71 1uem s GLU 52 CO 0.05 0.50 -0.12 0.00 0.02 0.00 0.00 175.26 175.71 1uem s ALA 53 N -1.32 1.82 0.04 5.21 0.00 0.32 -0.40 121.76 127.44 1uem s ALA 53 Ca 0.23 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 50.61 1uem s ALA 53 Cb -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1uem s ALA 53 CO 0.15 -0.01 -0.10 0.12 0.00 0.00 0.00 175.76 175.92 1uem s PHE 54 N -3.12 0.88 -0.24 0.00 2.19 -0.93 -0.32 117.98 116.45 1uem s PHE 54 Ca 0.21 -0.41 -0.06 0.00 0.33 0.00 0.00 56.93 57.00 1uem s PHE 54 Cb 0.01 -0.52 0.12 0.00 -1.31 0.00 0.00 43.02 41.32 1uem s PHE 54 CO 0.05 -0.02 0.48 -1.54 1.83 0.00 0.00 175.22 176.02 1uem s SER 55 N -1.34 -0.49 0.31 6.13 1.04 -1.26 -0.99 113.70 117.11 1uem s SER 55 Ca -0.04 1.00 0.16 0.00 0.48 0.00 0.00 55.95 57.54 1uem s SER 55 Cb -0.09 1.61 0.39 0.00 0.10 0.00 0.00 66.02 68.04 1uem s SER 55 CO 0.01 -0.24 1.60 -0.61 0.98 0.00 0.00 173.24 174.97 1uem h GLN 56 N 8.12 0.00 -0.70 4.02 4.15 -1.94 -1.11 115.11 127.64 1uem h GLN 56 Ca -0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1uem h GLN 56 Cb 1.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1uem h GLN 56 CO 0.15 0.50 0.00 0.43 -1.93 0.00 0.00 178.83 177.98 1uem n SER 57 N -3.46 0.95 0.00 -0.69 7.64 -1.26 -4.15 113.62 112.66 1uem n SER 57 Ca 0.00 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.85 1uem n SER 57 Cb 0.63 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.09 0.00 -1.58 0.44 0.31 -1.03 -5.06 118.33 111.33 1uem n VAL 58 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1uem n VAL 58 Cb 0.22 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 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 -2.22 0.00 -3.93 4.52 7.64 -0.53 -5.05 113.62 114.06 1uem n SER 59 Ca 0.00 -1.00 -0.26 0.00 1.01 0.00 0.00 58.87 58.62 1uem n SER 59 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 -0.70 -4.04 6.43 5.15 -0.57 -4.99 115.26 116.54 1uem n ASN 60 Ca 0.00 -1.00 -0.15 0.00 -0.60 0.00 0.00 54.58 52.83 1uem n ASN 60 Cb 0.29 -3.10 -0.13 0.00 -0.53 0.00 0.00 39.78 36.32 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 -4.31 0.88 -0.42 1.20 0.01 -1.26 -5.02 113.70 104.78 1uem s SER 61 Ca 0.04 -0.40 -0.28 0.00 1.31 0.00 0.00 55.95 56.61 1uem s SER 61 Cb -0.01 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1uem s SER 61 CO 0.88 -0.10 1.55 0.26 0.41 0.00 0.00 173.24 176.24 1uem s TRP 62 N -0.94 2.18 -0.16 2.43 0.52 -1.26 -4.17 118.94 117.53 1uem s TRP 62 Ca -0.05 0.64 -0.09 0.00 0.02 0.00 0.00 56.10 56.62 1uem s TRP 62 Cb -0.07 -4.26 -0.05 0.00 -1.15 0.00 0.00 33.47 27.94 1uem s TRP 62 CO 0.00 -2.28 0.13 -0.65 0.02 0.00 0.00 176.95 174.18 1uem s GLN 63 N 5.32 3.84 -0.87 4.98 -1.52 0.57 -4.90 119.66 127.08 1uem s GLN 63 Ca 0.66 -0.18 -0.25 0.00 -1.95 0.00 0.00 55.36 53.64 1uem s GLN 63 Cb -0.16 -3.31 0.03 0.00 -0.22 0.00 0.00 33.01 29.35 1uem s GLN 63 CO 0.31 0.52 1.44 0.99 -0.25 0.00 0.00 175.29 178.30 1uem s THR 64 N -0.29 3.77 -0.61 -0.19 2.01 -1.26 -0.52 115.64 118.55 1uem s THR 64 Ca 0.11 -0.19 0.24 0.00 0.31 0.00 0.00 61.69 62.17 1uem s THR 64 Cb -0.11 -4.87 0.14 0.00 0.01 0.00 0.00 72.50 67.67 1uem s THR 64 CO 0.01 -1.78 1.45 -0.37 -0.69 0.00 0.00 174.62 173.24 1uem h VAL 65 N 6.51 0.00 -2.93 3.82 -1.51 -1.48 -3.45 116.25 117.21 1uem h VAL 65 Ca -0.03 -0.58 -0.11 0.00 -1.23 0.00 0.00 66.70 64.74 1uem h VAL 65 Cb 1.04 1.31 -0.20 0.00 -2.13 0.00 0.00 31.29 31.31 1uem h VAL 65 CO 1.34 0.00 -0.22 0.00 -1.23 0.00 0.00 177.57 177.46 1uem s ALA 66 N -3.17 -0.89 0.09 5.19 0.00 -0.71 -4.76 121.76 117.51 1uem s ALA 66 Ca 0.07 0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.41 1uem s ALA 66 Cb 0.12 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1uem s ALA 66 CO 0.69 -0.28 0.09 0.54 0.00 0.00 0.00 175.76 176.80 1uem s ASN 67 N -1.33 0.30 -1.29 0.00 4.22 -1.26 -0.84 114.94 114.73 1uem s ASN 67 Ca -0.13 -0.94 -0.13 0.00 -2.14 0.00 0.00 52.86 49.53 1uem s ASN 67 Cb -0.05 0.29 0.00 0.00 1.28 0.00 0.00 41.25 42.78 1uem s ASN 67 CO 0.05 -0.70 0.57 1.41 -2.04 0.00 0.00 177.10 176.39 1uem n HIS 68 N -0.02 -1.69 -3.31 1.54 8.25 -0.90 -4.96 115.22 114.12 1uem n HIS 68 Ca -0.12 0.53 -0.38 0.00 -0.26 0.00 0.00 57.72 57.50 1uem n HIS 68 Cb 0.62 -3.45 -0.06 0.00 1.12 0.00 0.00 29.99 28.23 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 -3.74 5.19 -0.30 1.59 1.01 -0.10 -4.86 120.40 119.19 1uem s VAL 69 Ca 0.25 0.94 0.08 0.00 0.00 0.00 0.00 61.98 63.26 1uem s VAL 69 Cb -0.10 -3.81 0.52 0.00 0.00 0.00 0.00 36.38 32.98 1uem s VAL 69 CO 0.90 0.32 1.49 0.29 0.00 0.00 0.00 175.10 178.09 1uem n LYS 70 N 3.74 1.86 -4.31 2.72 4.01 -1.26 -0.15 118.16 124.77 1uem n LYS 70 Ca -0.07 -3.19 -0.18 0.00 -0.51 0.00 0.00 58.31 54.36 1uem n LYS 70 Cb 0.52 -1.83 -0.09 0.00 -0.51 0.00 0.00 35.03 33.11 1uem n LYS 70 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1uem s THR 71 N -3.26 0.26 0.00 -0.18 -1.32 -1.26 -5.06 115.64 104.82 1uem s THR 71 Ca 0.45 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 1uem s THR 71 Cb 0.41 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.89 1uem s THR 71 CO 0.00 0.00 0.49 0.35 -2.21 0.00 0.00 174.62 173.25 1uem n THR 72 N -0.54 0.00 -3.68 5.08 -2.24 -1.26 -4.89 114.28 106.74 1uem n THR 72 Ca 0.02 -0.49 -0.29 0.00 -2.27 0.00 0.00 64.05 61.02 1uem n THR 72 Cb 0.65 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.00 1.35 0.05 3.22 0.20 -1.26 -1.27 118.68 120.98 1uem s LEU 73 Ca 0.00 -1.20 0.03 0.00 0.69 0.00 0.00 54.13 53.65 1uem s LEU 73 Cb 0.00 -0.61 -0.03 0.00 -0.43 0.00 0.00 46.19 45.12 1uem s LEU 73 CO 0.00 -0.38 -0.09 -0.47 -0.29 0.00 0.00 176.35 175.13 1uem s TYR 74 N 1.85 0.76 -0.43 5.38 5.04 -0.39 -4.99 117.35 124.57 1uem s TYR 74 Ca 0.05 -0.53 -0.12 0.00 -2.44 0.00 0.00 57.07 54.03 1uem s TYR 74 Cb -0.17 -0.45 0.07 0.00 0.35 0.00 0.00 41.96 41.76 1uem s TYR 74 CO -0.20 -0.07 0.30 0.99 -1.34 0.00 0.00 175.55 175.23 1uem s THR 75 N -1.57 4.71 0.43 4.34 2.01 -1.26 -0.64 115.64 123.66 1uem s THR 75 Ca -0.07 -1.16 -0.26 0.00 0.31 0.00 0.00 61.69 60.52 1uem s THR 75 Cb -0.09 -3.80 -0.08 0.00 0.01 0.00 0.00 72.50 68.54 1uem s THR 75 CO 0.00 -0.48 1.38 -0.69 -0.69 0.00 0.00 174.62 174.14 1uem s VAL 76 N 1.54 2.27 0.29 3.82 1.01 0.08 -4.88 120.40 124.53 1uem s VAL 76 Ca 0.03 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1uem s VAL 76 Cb -0.23 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1uem s VAL 76 CO 0.05 0.04 0.22 -0.13 0.00 0.00 0.00 175.10 175.28 1uem s ARG 77 N -2.36 1.57 -0.02 2.72 0.52 -1.26 -1.70 118.95 118.42 1uem s ARG 77 Ca 0.59 -1.89 0.00 0.00 -0.52 0.00 0.00 55.73 53.91 1uem s ARG 77 Cb -0.42 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.33 1uem s ARG 77 CO 0.54 -0.56 0.00 0.41 0.02 0.00 0.00 175.30 175.71 1uem n GLY 78 N -0.51 0.47 3.75 -3.53 0.00 -1.00 -4.96 105.19 99.42 1uem n GLY 78 Ca 0.05 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.03 1.60 -0.12 0.99 1.43 -0.72 -5.06 118.68 116.77 1uem s LEU 79 Ca 0.00 0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 53.41 1uem s LEU 79 Cb 0.00 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1uem s LEU 79 CO 0.00 -3.63 0.06 -0.13 0.23 0.00 0.00 176.35 172.88 1uem s ARG 80 N -5.71 3.32 0.47 1.70 0.52 -1.26 -4.68 118.95 113.31 1uem s ARG 80 Ca 0.74 -0.31 -0.22 0.00 -0.52 0.00 0.00 55.73 55.42 1uem s ARG 80 Cb -0.05 -3.00 -0.07 0.00 0.52 0.00 0.00 34.95 32.35 1uem s ARG 80 CO 0.55 0.65 1.15 -1.25 0.02 0.00 0.00 175.30 176.41 1uem s PRO 81 N -0.69 3.70 -1.70 3.54 0.04 -1.04 -3.57 135.00 135.28 1uem s PRO 81 Ca 0.12 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.71 1uem s PRO 81 Cb -0.12 -2.33 0.15 0.00 0.04 0.00 0.00 34.50 32.24 1uem s PRO 81 CO 0.02 -0.58 0.64 -1.71 0.04 0.00 0.00 177.00 175.42 1uem n ASN 82 N -0.63 -2.32 -4.07 6.66 5.15 -0.28 -4.94 115.26 114.83 1uem n ASN 82 Ca 0.08 -1.08 -0.23 0.00 -0.60 0.00 0.00 54.58 52.75 1uem n ASN 82 Cb 0.49 -2.45 -0.16 0.00 -0.53 0.00 0.00 39.78 37.13 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 -3.44 1.08 0.41 -0.44 2.01 -1.23 -4.92 115.64 109.10 1uem s THR 83 Ca 0.62 -0.54 -0.24 0.00 0.31 0.00 0.00 61.69 61.84 1uem s THR 83 Cb -0.35 -0.93 -0.08 0.00 0.01 0.00 0.00 72.50 71.15 1uem s THR 83 CO 0.95 0.32 1.11 -0.63 -0.69 0.00 0.00 174.62 175.68 1uem s ILE 84 N 0.02 3.40 0.04 1.82 -1.09 -1.26 -2.63 121.20 121.49 1uem s ILE 84 Ca -0.01 1.10 -0.01 0.00 -2.23 0.00 0.00 60.65 59.49 1uem s ILE 84 Cb -0.09 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 1uem s ILE 84 CO 0.01 0.03 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.43 1uem s TYR 85 N -1.55 0.37 0.36 3.97 1.51 -0.13 -4.69 117.35 117.18 1uem s TYR 85 Ca 0.59 -0.77 0.08 0.00 -1.01 0.00 0.00 57.07 55.96 1uem s TYR 85 Cb -0.26 -0.27 -0.03 0.00 -0.11 0.00 0.00 41.96 41.28 1uem s TYR 85 CO 0.33 -0.30 0.26 -0.51 -1.11 0.00 0.00 175.55 174.21 1uem s LEU 86 N -2.22 3.44 -0.09 -1.29 1.43 -0.16 -0.87 118.68 118.92 1uem s LEU 86 Ca -0.04 -0.65 -0.07 0.00 -1.03 0.00 0.00 54.13 52.34 1uem s LEU 86 Cb -0.01 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.23 1uem s LEU 86 CO -0.06 -0.40 0.23 -0.36 0.23 0.00 0.00 176.35 176.00 1uem s PHE 87 N -2.38 -0.27 0.10 0.29 0.08 -1.26 -2.18 117.98 112.36 1uem s PHE 87 Ca 0.41 0.66 0.04 0.00 0.12 0.00 0.00 56.93 58.16 1uem s PHE 87 Cb -0.04 0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.44 1uem s PHE 87 CO 0.25 -0.15 0.10 -1.64 -0.10 0.00 0.00 175.22 173.68 1uem s MET 88 N 0.47 2.90 0.06 0.44 -1.94 0.47 -3.67 119.30 118.03 1uem s MET 88 Ca -0.03 -0.73 0.01 0.00 -1.71 0.00 0.00 55.69 53.23 1uem s MET 88 Cb -0.04 -2.71 -0.04 0.00 2.01 0.00 0.00 34.83 34.04 1uem s MET 88 CO -0.02 0.54 0.15 0.08 -0.01 0.00 0.00 175.02 175.77 1uem s VAL 89 N -1.49 5.05 -0.02 -6.03 1.01 -1.26 -0.96 120.40 116.70 1uem s VAL 89 Ca 0.30 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.82 1uem s VAL 89 Cb -0.12 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1uem s VAL 89 CO 0.23 0.15 -0.19 -0.13 0.00 0.00 0.00 175.10 175.16 1uem s ARG 90 N -2.40 1.60 0.33 2.72 0.52 -0.74 -3.29 118.95 117.69 1uem s ARG 90 Ca 0.32 -0.69 -0.14 0.00 -0.52 0.00 0.00 55.73 54.71 1uem s ARG 90 Cb -0.13 -1.53 -0.08 0.00 0.52 0.00 0.00 34.95 33.73 1uem s ARG 90 CO 0.25 0.40 0.73 0.00 0.02 0.00 0.00 175.30 176.70 1uem s ALA 91 N -0.41 3.35 0.13 2.13 0.00 -1.26 -0.47 121.76 125.22 1uem s ALA 91 Ca 0.06 -0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.07 1uem s ALA 91 Cb -0.08 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1uem s ALA 91 CO -0.00 0.27 -0.20 0.42 0.00 0.00 0.00 175.76 176.25 1uem s ILE 92 N -2.06 1.76 0.26 0.00 1.01 0.39 -0.98 121.20 121.58 1uem s ILE 92 Ca 0.53 -1.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.45 1uem s ILE 92 Cb -0.10 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.71 1uem s ILE 92 CO 0.21 -0.16 0.40 -0.46 0.00 0.00 0.00 174.94 174.93 1uem n ASN 93 N 0.76 -1.14 0.14 3.58 6.94 -0.84 -0.11 115.26 124.60 1uem n ASN 93 Ca -0.17 -2.28 0.09 0.00 -0.02 0.00 0.00 54.58 52.20 1uem n ASN 93 Cb 0.55 2.04 0.50 0.00 -2.36 0.00 0.00 39.78 40.51 1uem n ASN 93 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1uem n PRO 94 N -0.40 0.12 -0.00 -0.53 -0.02 -1.26 -3.40 135.00 129.51 1uem n PRO 94 Ca -0.01 0.61 0.02 0.00 -2.02 0.00 0.00 63.50 62.10 1uem n PRO 94 Cb 0.42 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1uem n PRO 94 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1uem n GLN 95 N -2.14 3.47 0.00 -0.52 1.13 -1.26 -5.12 117.38 112.94 1uem n GLN 95 Ca -0.01 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1uem n GLN 95 Cb 0.03 -0.85 0.00 0.00 0.11 0.00 0.00 30.24 29.54 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 1.57 -0.28 3.10 1.08 0.00 -1.22 -5.12 105.19 104.32 1uem n GLY 96 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 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 2.35 0.92 0.99 0.05 -1.26 -1.98 118.68 119.76 1uem s LEU 97 Ca 0.00 -1.04 -0.12 0.00 0.05 0.00 0.00 54.13 53.02 1uem s LEU 97 Cb 0.00 0.22 0.14 0.00 -2.05 0.00 0.00 46.19 44.50 1uem s LEU 97 CO 0.00 -0.62 1.11 -0.94 -0.55 0.00 0.00 176.35 175.34 1uem s SER 98 N -2.94 3.34 0.22 1.48 1.04 -0.15 -4.89 113.70 111.80 1uem s SER 98 Ca 0.10 1.19 -0.14 0.00 0.48 0.00 0.00 55.95 57.59 1uem s SER 98 Cb 0.08 -1.85 -0.10 0.00 0.10 0.00 0.00 66.02 64.26 1uem s SER 98 CO -0.08 -2.68 0.10 0.47 0.98 0.00 0.00 173.24 172.03 1uem n ASP 99 N -3.88 -1.57 -4.73 7.02 8.00 -1.26 -4.87 116.55 115.26 1uem n ASP 99 Ca 0.06 0.54 -0.42 0.00 0.71 0.00 0.00 54.79 55.68 1uem n ASP 99 Cb 0.57 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 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 -0.61 4.25 0.76 -0.24 0.04 -1.26 -4.53 135.00 133.40 1uem s PRO 100 Ca 0.37 2.30 -0.14 0.00 0.04 0.00 0.00 61.00 63.56 1uem s PRO 100 Cb -0.43 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.02 1uem s PRO 100 CO 0.38 -0.50 1.21 -1.54 0.04 0.00 0.00 177.00 176.59 1uem s SER 101 N 0.75 3.98 0.42 6.66 1.04 -1.21 -4.89 113.70 120.45 1uem s SER 101 Ca 0.64 2.38 -0.26 0.00 0.48 0.00 0.00 55.95 59.19 1uem s SER 101 Cb -0.42 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.02 1uem s SER 101 CO 0.37 -2.41 1.40 -2.84 0.98 0.00 0.00 173.24 170.74 1uem s PRO 102 N -3.97 3.84 0.17 4.02 0.02 -1.26 -4.83 135.00 132.99 1uem s PRO 102 Ca 0.74 2.37 -0.33 0.00 0.02 0.00 0.00 61.00 63.80 1uem s PRO 102 Cb -0.30 -2.74 -0.14 0.00 0.02 0.00 0.00 34.50 31.34 1uem s PRO 102 CO 0.47 -0.67 1.44 -1.33 -0.33 0.00 0.00 177.00 176.57 1uem n MET 103 N 0.02 1.82 0.24 5.54 2.81 -1.26 -4.12 117.12 122.17 1uem n MET 103 Ca 0.04 0.65 0.15 0.00 -1.81 0.00 0.00 57.70 56.73 1uem n MET 103 Cb 0.42 -2.34 0.79 0.00 -0.71 0.00 0.00 33.22 31.38 1uem n MET 103 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1uem h SER 104 N 4.88 0.00 -3.81 7.83 0.87 -1.75 -3.45 113.55 118.11 1uem h SER 104 Ca -0.45 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.28 1uem h SER 104 Cb 1.28 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.15 1uem h SER 104 CO 0.81 0.00 -0.60 -0.67 -0.53 0.00 0.00 176.83 175.83 1uem n ASP 105 N -2.56 -3.93 -4.67 6.23 2.03 -1.26 -4.89 116.55 107.50 1uem n ASP 105 Ca -0.02 0.69 -0.43 0.00 0.52 0.00 0.00 54.79 55.55 1uem n ASP 105 Cb 0.12 -2.43 -0.02 0.00 -0.72 0.00 0.00 41.12 38.06 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 -3.48 4.26 0.35 -0.67 0.05 -1.26 -4.68 135.00 129.58 1uem s PRO 106 Ca 0.00 1.70 -0.02 0.00 0.05 0.00 0.00 61.00 62.73 1uem s PRO 106 Cb 0.00 -3.71 -0.04 0.00 0.05 0.00 0.00 34.50 30.80 1uem s PRO 106 CO 0.00 -0.64 0.59 0.54 0.05 0.00 0.00 177.00 177.54 1uem s VAL 107 N 3.12 5.05 -0.11 -0.36 0.11 -0.05 -4.91 120.40 123.24 1uem s VAL 107 Ca 0.56 -0.20 -0.04 0.00 -2.93 0.00 0.00 61.98 59.37 1uem s VAL 107 Cb -0.23 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.76 1uem s VAL 107 CO 0.18 -0.54 0.03 -0.60 -3.33 0.00 0.00 175.10 170.84 1uem s ARG 108 N -4.16 3.30 0.95 1.54 6.06 -1.26 -0.96 118.95 124.42 1uem s ARG 108 Ca 0.42 -0.36 -0.11 0.00 -2.50 0.00 0.00 55.73 53.17 1uem s ARG 108 Cb -0.10 -2.94 0.16 0.00 0.06 0.00 0.00 34.95 32.13 1uem s ARG 108 CO 0.36 0.59 1.09 0.95 -2.50 0.00 0.00 175.30 175.79 1uem s THR 109 N -0.56 2.43 0.86 4.11 -4.23 -1.08 -4.96 115.64 112.20 1uem s THR 109 Ca 0.10 0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 60.62 1uem s THR 109 Cb -0.12 -2.44 0.13 0.00 1.34 0.00 0.00 72.50 71.41 1uem s THR 109 CO 0.02 -0.18 1.22 -1.10 -0.54 0.00 0.00 174.62 174.04 1uem s GLN 110 N -4.77 1.43 0.85 3.99 -1.52 -0.29 -3.35 119.66 115.99 1uem s GLN 110 Ca 0.65 -0.17 -0.11 0.00 -1.95 0.00 0.00 55.36 53.78 1uem s GLN 110 Cb -0.20 -1.94 0.10 0.00 -0.22 0.00 0.00 33.01 30.75 1uem s GLN 110 CO 0.59 -1.90 1.10 0.16 -0.25 0.00 0.00 175.29 174.98 1uem s ASP 111 N -4.71 3.84 -0.13 5.90 -4.77 -1.26 -1.12 116.67 114.42 1uem s ASP 111 Ca 0.67 1.72 0.16 0.00 -3.30 0.00 0.00 52.55 51.80 1uem s ASP 111 Cb -0.08 -2.38 0.41 0.00 -1.09 0.00 0.00 42.92 39.78 1uem s ASP 111 CO 0.50 -2.44 1.31 -1.54 0.70 0.00 0.00 175.17 173.70 1uem n SER 112 N -3.78 3.26 -3.95 2.11 3.41 -1.26 -4.26 113.62 109.16 1uem n SER 112 Ca 0.08 -2.85 -0.29 0.00 -0.26 0.00 0.00 58.87 55.55 1uem n SER 112 Cb 0.54 -0.44 0.27 0.00 -0.26 0.00 0.00 64.21 64.31 1uem n SER 112 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1uem s GLY 113 N -2.00 1.48 -1.24 5.00 0.00 -1.26 -4.85 107.32 104.45 1uem s GLY 113 Ca 0.35 -0.53 -0.14 0.00 0.00 0.00 0.00 44.72 44.39 1uem s GLY 113 CO 0.08 0.34 2.28 -1.55 0.00 0.00 0.00 173.10 174.25 1uem n PRO 114 N -5.26 2.57 -1.38 2.90 -0.04 -1.26 -4.95 135.00 127.58 1uem n PRO 114 Ca 0.08 -2.17 -0.36 0.00 -0.04 0.00 0.00 63.50 61.02 1uem n PRO 114 Cb 0.57 -2.98 0.09 0.00 -0.04 0.00 0.00 33.50 31.14 1uem n PRO 114 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1uem n SER 115 N 5.67 0.74 -4.39 3.54 7.64 -1.26 -4.95 113.62 120.62 1uem n SER 115 Ca 0.56 0.68 -0.45 0.00 1.01 0.00 0.00 58.87 60.67 1uem n SER 115 Cb 0.32 -1.44 -0.01 0.00 -1.01 0.00 0.00 64.21 62.07 1uem n SER 115 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uem s SER 116 N -1.65 6.90 0.00 6.43 1.04 -1.26 -5.24 113.70 119.92 1uem s SER 116 Ca 0.75 -2.75 0.00 0.00 0.48 0.00 0.00 55.95 54.42 1uem s SER 116 Cb -0.35 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1uem s SER 116 CO 0.49 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.64