#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 -6.07 -3.88 1.61 7.64 -1.26 -5.10 113.62 106.56 1uem n SER 2 Ca 0.00 0.46 -0.10 0.00 1.01 0.00 0.00 58.87 60.24 1uem n SER 2 Cb 0.00 -3.99 -0.09 0.00 -1.01 0.00 0.00 64.21 59.11 1uem n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uem s SER 3 N -1.95 0.07 0.83 6.43 0.01 -1.26 -5.17 113.70 112.67 1uem s SER 3 Ca 0.14 -0.35 -0.12 0.00 1.31 0.00 0.00 55.95 56.93 1uem s SER 3 Cb -0.04 0.24 0.09 0.00 0.21 0.00 0.00 66.02 66.52 1uem s SER 3 CO 0.53 -0.47 1.11 -0.83 0.41 0.00 0.00 173.24 173.99 1uem s GLY 4 N -1.82 1.61 -0.30 3.44 0.00 -1.26 -5.07 107.32 103.91 1uem s GLY 4 Ca -0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 44.72 44.29 1uem s GLY 4 CO -0.02 0.15 0.12 -0.45 0.00 0.00 0.00 173.10 172.90 1uem s SER 5 N -3.96 3.75 0.00 1.64 0.15 -1.26 -4.94 113.70 109.08 1uem s SER 5 Ca 0.62 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.81 1uem s SER 5 Cb -0.14 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 1uem s SER 5 CO 0.54 -0.43 0.41 -1.20 1.20 0.00 0.00 173.24 173.77 1uem n SER 6 N 5.05 0.00 -4.40 5.45 7.64 -1.26 -5.05 113.62 121.05 1uem n SER 6 Ca -0.04 -1.17 -0.45 0.00 1.01 0.00 0.00 58.87 58.23 1uem n SER 6 Cb 0.42 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1uem n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uem s GLY 7 N -0.17 2.67 -1.21 0.23 0.00 -1.26 -4.96 107.32 102.62 1uem s GLY 7 Ca 0.00 -3.44 -0.19 0.00 0.00 0.00 0.00 44.72 41.10 1uem s GLY 7 CO 0.00 1.67 1.96 0.58 0.00 0.00 0.00 173.10 177.31 1uem n LYS 8 N 4.49 2.42 -4.30 2.90 2.85 -1.26 -4.83 118.16 120.43 1uem n LYS 8 Ca 0.27 -2.61 -0.18 0.00 -1.05 0.00 0.00 58.31 54.74 1uem n LYS 8 Cb 0.43 -3.35 -0.10 0.00 -0.65 0.00 0.00 35.03 31.35 1uem n LYS 8 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1uem s ASN 9 N 4.52 2.29 0.72 -5.58 0.02 -1.26 -5.15 114.94 110.51 1uem s ASN 9 Ca 0.55 -0.94 -0.13 0.00 -1.02 0.00 0.00 52.86 51.33 1uem s ASN 9 Cb 0.08 -0.10 0.03 0.00 0.02 0.00 0.00 41.25 41.29 1uem s ASN 9 CO 0.05 -0.17 1.11 -0.31 0.02 0.00 0.00 177.10 177.80 1uem s TYR 10 N -2.66 2.51 0.75 2.20 2.02 -1.26 -5.02 117.35 115.89 1uem s TYR 10 Ca 0.17 1.57 -0.13 0.00 -0.37 0.00 0.00 57.07 58.31 1uem s TYR 10 Cb -0.02 -3.16 0.05 0.00 -0.40 0.00 0.00 41.96 38.43 1uem s TYR 10 CO 0.05 -1.85 1.12 0.34 -1.57 0.00 0.00 175.55 173.64 1uem s ASP 11 N -2.84 4.46 0.00 2.29 -1.08 -1.26 -5.03 116.67 113.21 1uem s ASP 11 Ca 0.65 2.01 0.00 0.00 -0.52 0.00 0.00 52.55 54.69 1uem s ASP 11 Cb -0.20 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 1uem s ASP 11 CO 0.48 -2.07 0.00 0.18 0.52 0.00 0.00 175.17 174.28 1uem n LEU 12 N -3.12 0.00 -4.75 -1.34 4.77 -1.26 -5.10 117.00 106.19 1uem n LEU 12 Ca 0.10 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.77 1uem n LEU 12 Cb 0.52 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.70 1uem n LEU 12 CO 0.50 0.00 0.72 -0.44 -1.33 0.00 0.00 177.39 176.84 1uem s SER 13 N 0.75 4.38 0.00 -1.43 0.01 -1.26 -4.90 113.70 111.25 1uem s SER 13 Ca 0.00 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.25 1uem s SER 13 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1uem s SER 13 CO 0.00 -2.12 0.40 0.47 0.41 0.00 0.00 173.24 172.40 1uem n ASP 14 N -3.23 0.56 -4.76 2.44 9.92 -1.26 -4.82 116.55 115.40 1uem n ASP 14 Ca 0.10 -1.36 -0.31 0.00 -0.53 0.00 0.00 54.79 52.69 1uem n ASP 14 Cb 0.52 -0.28 -0.07 0.00 -0.64 0.00 0.00 41.12 40.65 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 -0.18 3.75 0.87 0.64 1.43 -1.26 -4.39 118.68 119.54 1uem s LEU 15 Ca 0.00 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 1uem s LEU 15 Cb 0.00 -2.35 0.12 0.00 0.03 0.00 0.00 46.19 43.99 1uem s LEU 15 CO 0.00 0.21 1.14 -2.16 0.23 0.00 0.00 176.35 175.77 1uem s PRO 16 N -2.13 1.37 0.42 1.29 0.04 -1.26 -4.88 135.00 129.85 1uem s PRO 16 Ca 0.26 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.54 1uem s PRO 16 Cb -0.12 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.55 1uem s PRO 16 CO 0.18 -2.36 1.39 0.41 0.04 0.00 0.00 177.00 176.66 1uem n GLY 17 N -0.06 0.89 3.76 0.56 0.00 -0.56 -4.72 105.19 105.06 1uem n GLY 17 Ca 0.11 0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.27 3.42 1.03 1.61 0.04 -1.26 -4.38 135.00 133.18 1uem s PRO 18 Ca 0.59 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 63.39 1uem s PRO 18 Cb -0.48 -2.24 0.21 0.00 0.04 0.00 0.00 34.50 32.03 1uem s PRO 18 CO 0.59 -0.85 1.09 -2.14 0.04 0.00 0.00 177.00 175.72 1uem s PRO 19 N -2.93 0.17 0.87 0.56 0.02 -1.26 -4.21 135.00 128.21 1uem s PRO 19 Ca 0.69 1.14 -0.12 0.00 0.02 0.00 0.00 61.00 62.74 1uem s PRO 19 Cb -0.31 -1.66 0.11 0.00 0.02 0.00 0.00 34.50 32.66 1uem s PRO 19 CO 0.36 -3.08 1.12 -1.12 -0.33 0.00 0.00 177.00 173.95 1uem s SER 20 N -2.69 3.89 -0.03 2.53 0.01 -1.01 -4.21 113.70 112.19 1uem s SER 20 Ca 0.67 1.11 -0.30 0.00 1.31 0.00 0.00 55.95 58.74 1uem s SER 20 Cb -0.23 -1.75 -0.08 0.00 0.21 0.00 0.00 66.02 64.17 1uem s SER 20 CO 0.61 -2.32 2.02 1.17 0.41 0.00 0.00 173.24 175.13 1uem n LYS 21 N -3.64 2.61 -1.31 12.44 4.81 -1.26 -4.56 118.16 127.26 1uem n LYS 21 Ca 0.07 0.92 -0.32 0.00 -0.87 0.00 0.00 58.31 58.10 1uem n LYS 21 Cb 0.58 -3.02 0.10 0.00 0.02 0.00 0.00 35.03 32.70 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 4.86 2.10 0.07 1.64 0.04 -1.26 -4.80 135.00 137.65 1uem s PRO 22 Ca 0.92 1.45 0.08 0.00 0.04 0.00 0.00 61.00 63.49 1uem s PRO 22 Cb -0.44 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 1uem s PRO 22 CO 0.42 -1.80 -0.21 -0.65 0.04 0.00 0.00 177.00 174.79 1uem s GLN 23 N -4.41 1.32 -0.07 4.56 -0.21 0.89 -4.54 119.66 117.21 1uem s GLN 23 Ca 0.67 -1.05 -0.11 0.00 0.02 0.00 0.00 55.36 54.89 1uem s GLN 23 Cb -0.22 -1.52 -0.05 0.00 1.00 0.00 0.00 33.01 32.23 1uem s GLN 23 CO 0.50 0.37 0.27 0.14 -2.12 0.00 0.00 175.29 174.46 1uem s VAL 24 N -0.94 5.28 0.00 1.09 -7.23 -1.26 -0.50 120.40 116.85 1uem s VAL 24 Ca 0.08 0.51 0.00 0.00 -1.81 0.00 0.00 61.98 60.76 1uem s VAL 24 Cb -0.09 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.29 1uem s VAL 24 CO 0.03 0.58 0.00 0.35 -0.31 0.00 0.00 175.10 175.75 1uem n THR 25 N 2.06 0.00 -2.27 5.32 -2.24 -0.93 -4.98 114.28 111.24 1uem n THR 25 Ca -0.17 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1uem n THR 25 Cb 0.54 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.88 6.93 -0.01 3.42 2.15 -1.26 -4.93 116.67 123.86 1uem s ASP 26 Ca 0.00 2.22 0.00 0.00 0.43 0.00 0.00 52.55 55.21 1uem s ASP 26 Cb 0.00 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 40.04 1uem s ASP 26 CO 0.00 -0.56 0.00 0.54 -0.17 0.00 0.00 175.17 174.98 1uem s VAL 27 N 0.92 0.03 0.00 1.11 0.11 -1.26 -0.47 120.40 120.84 1uem s VAL 27 Ca 0.61 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 1uem s VAL 27 Cb -0.34 -0.07 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 1uem s VAL 27 CO 0.31 0.04 0.00 0.35 -3.33 0.00 0.00 175.10 172.47 1uem n THR 28 N 3.39 0.00 0.00 5.04 -2.24 -0.47 -4.85 114.28 115.15 1uem n THR 28 Ca -0.17 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1uem n THR 28 Cb 0.57 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.90 0.00 -0.00 -0.78 2.85 -1.26 -4.51 118.16 112.55 1uem n LYS 29 Ca 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.31 1uem n LYS 29 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 1uem n LYS 29 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1uem n ASN 30 N -0.20 1.57 -4.01 -5.58 5.03 -1.26 -3.08 115.26 107.73 1uem n ASN 30 Ca 0.00 -0.34 -0.08 0.00 0.87 0.00 0.00 54.58 55.03 1uem n ASN 30 Cb 0.00 1.28 -0.09 0.00 -1.02 0.00 0.00 39.78 39.95 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 -2.71 0.35 -0.19 6.41 0.01 -1.26 -0.13 113.70 116.18 1uem s SER 31 Ca -0.00 -0.85 -0.10 0.00 1.31 0.00 0.00 55.95 56.30 1uem s SER 31 Cb 0.08 0.24 0.07 0.00 0.21 0.00 0.00 66.02 66.61 1uem s SER 31 CO 0.45 -0.62 0.46 0.54 0.41 0.00 0.00 173.24 174.48 1uem s VAL 32 N -3.74 -0.09 0.11 3.43 0.11 -0.49 -1.37 120.40 118.35 1uem s VAL 32 Ca 0.05 0.08 -0.23 0.00 -2.93 0.00 0.00 61.98 58.95 1uem s VAL 32 Cb 0.06 -0.69 -0.07 0.00 -1.53 0.00 0.00 36.38 34.15 1uem s VAL 32 CO -0.10 0.03 0.70 -0.89 -3.33 0.00 0.00 175.10 171.52 1uem s THR 33 N 1.58 4.58 -0.03 5.04 2.01 0.38 -0.86 115.64 128.33 1uem s THR 33 Ca -0.09 1.51 0.03 0.00 0.31 0.00 0.00 61.69 63.46 1uem s THR 33 Cb -0.08 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1uem s THR 33 CO -0.14 0.50 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.41 1uem s LEU 34 N -0.89 2.89 -0.06 4.42 1.43 -0.30 -2.19 118.68 123.97 1uem s LEU 34 Ca 0.34 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1uem s LEU 34 Cb -0.21 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.40 1uem s LEU 34 CO 0.23 0.33 -0.09 -0.55 0.23 0.00 0.00 176.35 176.49 1uem s SER 35 N -0.96 1.50 0.21 2.29 0.15 0.35 -1.64 113.70 115.60 1uem s SER 35 Ca 0.13 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.53 1uem s SER 35 Cb -0.11 -0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 63.47 1uem s SER 35 CO 0.03 -0.00 0.15 -1.66 1.20 0.00 0.00 173.24 172.95 1uem s TRP 36 N 0.79 1.18 0.00 3.44 -2.14 -0.82 -0.08 118.94 121.32 1uem s TRP 36 Ca -0.13 -1.38 -0.04 0.00 2.66 0.00 0.00 56.10 57.21 1uem s TRP 36 Cb -0.15 -0.55 -0.04 0.00 -3.10 0.00 0.00 33.47 29.63 1uem s TRP 36 CO 0.02 -0.67 0.23 -0.65 -2.66 0.00 0.00 176.95 173.22 1uem s GLN 37 N -4.11 3.51 0.23 3.25 -0.21 -1.26 -4.84 119.66 116.23 1uem s GLN 37 Ca 0.39 -0.21 -0.30 0.00 0.02 0.00 0.00 55.36 55.26 1uem s GLN 37 Cb 0.06 -3.08 -0.09 0.00 1.00 0.00 0.00 33.01 30.91 1uem s GLN 37 CO 0.13 0.66 0.96 -1.25 -2.12 0.00 0.00 175.29 173.67 1uem s PRO 38 N -1.89 4.82 1.00 2.91 0.04 -1.26 -2.41 135.00 138.20 1uem s PRO 38 Ca 0.28 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 1uem s PRO 38 Cb -0.13 -3.28 0.24 0.00 0.04 0.00 0.00 34.50 31.37 1uem s PRO 38 CO 0.18 0.45 1.14 0.41 0.04 0.00 0.00 177.00 179.22 1uem n GLY 39 N 1.54 -2.01 3.86 0.56 0.00 -1.26 -4.85 105.19 103.03 1uem n GLY 39 Ca -0.01 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.33 4.76 0.55 2.61 2.01 -1.26 -4.91 115.64 116.07 1uem s THR 40 Ca 0.68 0.77 -0.09 0.00 0.31 0.00 0.00 61.69 63.35 1uem s THR 40 Cb -0.04 -3.64 0.13 0.00 0.01 0.00 0.00 72.50 68.97 1uem s THR 40 CO 0.50 -0.23 0.60 -0.81 -0.69 0.00 0.00 174.62 173.99 1uem n PRO 41 N -0.51 -1.38 0.00 4.92 -0.04 -1.26 -1.50 135.00 135.23 1uem n PRO 41 Ca 0.03 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1uem n PRO 41 Cb 0.53 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 33.24 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 -0.24 2.61 0.33 0.55 0.00 -1.26 -4.66 105.19 102.51 1uem n GLY 42 Ca 0.08 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.37 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 0.88 -3.29 2.61 1.35 -1.91 -3.43 112.91 109.11 1uem h THR 43 Ca 0.00 -0.04 -0.38 0.00 -0.55 0.00 0.00 66.41 65.44 1uem h THR 43 Cb 0.00 0.75 -0.14 0.00 -1.73 0.00 0.00 68.15 67.03 1uem h THR 43 CO 0.00 0.02 -0.66 -0.76 -0.25 0.00 0.00 175.52 173.87 1uem s LEU 44 N -9.03 2.24 0.08 3.87 1.43 -1.26 -5.13 118.68 110.88 1uem s LEU 44 Ca -0.06 -1.19 -0.26 0.00 -1.03 0.00 0.00 54.13 51.59 1uem s LEU 44 Cb 0.19 -0.30 -0.06 0.00 0.03 0.00 0.00 46.19 46.05 1uem s LEU 44 CO 0.71 -0.48 0.80 -2.16 0.23 0.00 0.00 176.35 175.45 1uem s PRO 45 N -3.84 4.55 0.62 1.29 0.04 -1.26 -4.90 135.00 131.49 1uem s PRO 45 Ca 0.27 1.15 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 1uem s PRO 45 Cb 0.05 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 1uem s PRO 45 CO 0.08 0.33 1.25 0.00 0.04 0.00 0.00 177.00 178.70 1uem s ALA 46 N -0.28 2.47 0.10 8.56 0.00 -1.26 -4.13 121.76 127.22 1uem s ALA 46 Ca 0.39 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1uem s ALA 46 Cb -0.22 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1uem s ALA 46 CO 0.25 -1.37 0.00 0.45 0.00 0.00 0.00 175.76 175.09 1uem n SER 47 N -1.73 0.53 -2.46 0.00 2.88 0.23 -4.95 113.62 108.11 1uem n SER 47 Ca 0.15 0.16 -0.10 0.00 -1.33 0.00 0.00 58.87 57.75 1uem n SER 47 Cb 0.49 -0.10 -0.01 0.00 -0.75 0.00 0.00 64.21 63.84 1uem n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uem n ALA 48 N -3.29 -0.63 -2.61 -1.46 0.00 -1.22 -4.97 120.51 106.33 1uem n ALA 48 Ca 0.00 -1.14 -0.28 0.00 0.00 0.00 0.00 53.44 52.02 1uem n ALA 48 Cb 0.12 0.92 -0.10 0.00 0.00 0.00 0.00 19.45 20.39 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 -3.57 2.14 0.16 0.00 2.02 -0.06 -0.28 117.35 117.76 1uem s TYR 49 Ca 0.19 -0.88 0.10 0.00 -0.37 0.00 0.00 57.07 56.11 1uem s TYR 49 Cb -0.02 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1uem s TYR 49 CO 0.14 0.21 -0.23 0.42 -1.57 0.00 0.00 175.55 174.51 1uem s ILE 50 N -2.94 2.16 -0.03 2.71 1.01 0.37 -0.61 121.20 123.87 1uem s ILE 50 Ca 0.26 -1.89 0.06 0.00 0.00 0.00 0.00 60.65 59.08 1uem s ILE 50 Cb 0.07 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 1uem s ILE 50 CO 0.13 -0.09 -0.21 -0.63 0.00 0.00 0.00 174.94 174.13 1uem s ILE 51 N -1.53 1.71 0.34 2.92 1.01 0.16 -1.33 121.20 124.49 1uem s ILE 51 Ca 0.16 -0.90 0.10 0.00 0.00 0.00 0.00 60.65 60.01 1uem s ILE 51 Cb -0.08 -1.44 -0.06 0.00 0.01 0.00 0.00 42.46 40.88 1uem s ILE 51 CO 0.08 0.48 -0.09 -1.61 0.00 0.00 0.00 174.94 173.80 1uem s GLU 52 N -0.26 1.84 0.12 2.79 2.02 -0.05 -2.05 118.70 123.10 1uem s GLU 52 Ca 0.02 -1.90 -0.03 0.00 0.02 0.00 0.00 54.97 53.07 1uem s GLU 52 Cb -0.11 -1.74 -0.03 0.00 0.10 0.00 0.00 34.13 32.36 1uem s GLU 52 CO 0.01 0.16 0.10 0.00 0.02 0.00 0.00 175.26 175.55 1uem s ALA 53 N -2.59 0.51 -0.28 5.21 0.00 -0.68 -1.68 121.76 122.25 1uem s ALA 53 Ca 0.33 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 1uem s ALA 53 Cb 0.01 0.70 0.11 0.00 0.00 0.00 0.00 23.12 23.95 1uem s ALA 53 CO 0.17 -0.50 0.65 0.12 0.00 0.00 0.00 175.76 176.20 1uem s PHE 54 N -3.99 -1.19 -1.96 0.00 2.19 -0.02 -1.64 117.98 111.37 1uem s PHE 54 Ca 0.17 2.19 0.16 0.00 0.33 0.00 0.00 56.93 59.79 1uem s PHE 54 Cb 0.06 0.70 0.18 0.00 -1.31 0.00 0.00 43.02 42.66 1uem s PHE 54 CO -0.02 -0.60 1.08 0.45 1.83 0.00 0.00 175.22 177.96 1uem n SER 55 N 4.99 2.55 0.00 6.13 2.88 -1.26 -0.24 113.62 128.66 1uem n SER 55 Ca -0.15 -1.74 0.00 0.00 -1.33 0.00 0.00 58.87 55.65 1uem n SER 55 Cb 0.53 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1uem n SER 55 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1uem n GLN 56 N 0.95 -0.62 0.00 -1.46 7.27 -1.26 -4.45 117.38 117.80 1uem n GLN 56 Ca 0.11 0.10 0.00 0.00 0.07 0.00 0.00 57.00 57.28 1uem n GLN 56 Cb 0.43 -3.61 0.00 0.00 2.41 0.00 0.00 30.24 29.47 1uem n GLN 56 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1uem n SER 57 N 0.10 0.00 0.00 1.69 2.88 -1.26 -4.29 113.62 112.73 1uem n SER 57 Ca 0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 1uem n SER 57 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1uem n SER 57 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1uem n VAL 58 N 0.00 0.00 -0.64 2.46 0.24 -1.26 -4.67 118.33 114.46 1uem n VAL 58 Ca 0.00 0.34 0.05 0.00 -2.04 0.00 0.00 64.34 62.69 1uem n VAL 58 Cb 0.28 -0.71 0.07 0.00 -1.47 0.00 0.00 33.84 32.01 1uem n VAL 58 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1uem n SER 59 N -0.72 2.04 -2.14 -1.34 7.64 -1.26 -4.98 113.62 112.85 1uem n SER 59 Ca 0.00 -2.51 -0.15 0.00 1.01 0.00 0.00 58.87 57.22 1uem n SER 59 Cb 0.00 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 62.96 1uem n SER 59 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1uem n ASN 60 N -0.94 -4.27 -3.89 6.43 4.13 -1.26 -4.91 115.26 110.56 1uem n ASN 60 Ca 0.08 0.20 -0.10 0.00 1.68 0.00 0.00 54.58 56.44 1uem n ASN 60 Cb 0.47 -3.68 -0.10 0.00 -1.54 0.00 0.00 39.78 34.93 1uem n ASN 60 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1uem s SER 61 N -2.09 0.08 0.30 6.41 0.01 -1.26 -4.93 113.70 112.22 1uem s SER 61 Ca 0.00 -0.33 -0.27 0.00 1.31 0.00 0.00 55.95 56.66 1uem s SER 61 Cb 0.00 0.21 -0.09 0.00 0.21 0.00 0.00 66.02 66.35 1uem s SER 61 CO 0.00 -0.43 0.97 0.26 0.41 0.00 0.00 173.24 174.46 1uem s TRP 62 N -1.85 3.72 -0.02 2.43 0.52 -1.26 -4.70 118.94 117.77 1uem s TRP 62 Ca -0.11 1.80 0.01 0.00 0.02 0.00 0.00 56.10 57.82 1uem s TRP 62 Cb -0.05 -3.01 0.01 0.00 -1.15 0.00 0.00 33.47 29.27 1uem s TRP 62 CO -0.01 0.10 -0.04 -0.65 0.02 0.00 0.00 176.95 176.36 1uem s GLN 63 N -1.77 0.52 -0.80 4.98 -0.21 -0.65 -4.98 119.66 116.74 1uem s GLN 63 Ca 0.48 -0.13 -0.25 0.00 0.02 0.00 0.00 55.36 55.47 1uem s GLN 63 Cb -0.23 -0.54 -0.02 0.00 1.00 0.00 0.00 33.01 33.23 1uem s GLN 63 CO 0.29 0.03 1.80 0.95 -2.12 0.00 0.00 175.29 176.24 1uem s THR 64 N 0.30 3.49 -0.32 -0.19 -4.23 -1.26 -1.69 115.64 111.75 1uem s THR 64 Ca -0.03 -0.15 0.20 0.00 -1.18 0.00 0.00 61.69 60.53 1uem s THR 64 Cb -0.07 -4.18 0.20 0.00 1.34 0.00 0.00 72.50 69.79 1uem s THR 64 CO -0.00 -1.12 1.46 -0.37 -0.54 0.00 0.00 174.62 174.04 1uem h VAL 65 N 6.97 0.28 -1.65 2.29 -1.51 -1.73 -3.42 116.25 117.47 1uem h VAL 65 Ca -0.05 -1.40 -0.11 0.00 -1.23 0.00 0.00 66.70 63.91 1uem h VAL 65 Cb 1.06 2.07 -0.28 0.00 -2.13 0.00 0.00 31.29 32.02 1uem h VAL 65 CO 1.24 0.16 -0.45 0.00 -1.23 0.00 0.00 177.57 177.29 1uem s ALA 66 N -3.14 -1.38 0.70 5.19 0.00 -0.96 -4.82 121.76 117.35 1uem s ALA 66 Ca 0.05 0.93 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 1uem s ALA 66 Cb 0.06 -1.89 0.05 0.00 0.00 0.00 0.00 23.12 21.34 1uem s ALA 66 CO 0.71 -1.41 1.03 -0.80 0.00 0.00 0.00 175.76 175.30 1uem s ASN 67 N 2.61 5.01 -1.04 0.00 -0.87 -1.26 -0.66 114.94 118.73 1uem s ASN 67 Ca 0.13 0.67 -0.26 0.00 -1.57 0.00 0.00 52.86 51.83 1uem s ASN 67 Cb -0.14 -1.38 0.04 0.00 -0.02 0.00 0.00 41.25 39.74 1uem s ASN 67 CO -0.20 -1.50 0.48 1.41 -2.57 0.00 0.00 177.10 174.72 1uem n HIS 68 N -2.93 -1.11 -2.50 2.20 8.25 -0.66 -4.91 115.22 113.56 1uem n HIS 68 Ca 0.07 0.10 -0.43 0.00 -0.26 0.00 0.00 57.72 57.20 1uem n HIS 68 Cb 0.59 -2.27 -0.02 0.00 1.12 0.00 0.00 29.99 29.41 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 -3.84 4.37 -0.62 1.59 1.01 0.23 -4.77 120.40 118.37 1uem s VAL 69 Ca 0.36 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.98 1uem s VAL 69 Cb -0.20 -4.15 0.39 0.00 0.00 0.00 0.00 36.38 32.43 1uem s VAL 69 CO 0.81 -0.25 1.50 0.29 0.00 0.00 0.00 175.10 177.45 1uem n LYS 70 N 6.72 3.15 -3.29 2.72 5.02 -1.26 -0.88 118.16 130.34 1uem n LYS 70 Ca 0.13 -4.09 -0.09 0.00 -2.02 0.00 0.00 58.31 52.24 1uem n LYS 70 Cb 0.46 -2.26 0.01 0.00 -0.02 0.00 0.00 35.03 33.21 1uem n LYS 70 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1uem n THR 71 N -0.50 0.00 0.06 -0.18 5.66 -1.26 -5.04 114.28 113.01 1uem n THR 71 Ca 0.45 -1.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.46 1uem n THR 71 Cb 0.48 0.81 0.01 0.00 -1.55 0.00 0.00 70.33 70.08 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 -0.44 0.10 -3.61 1.09 -2.24 -1.26 -4.97 114.28 102.95 1uem n THR 72 Ca -0.04 -0.55 -0.25 0.00 -2.27 0.00 0.00 64.05 60.94 1uem n THR 72 Cb 0.47 0.98 -0.17 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.23 0.30 -0.04 3.22 1.43 -1.26 -1.94 118.68 120.16 1uem s LEU 73 Ca 0.02 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1uem s LEU 73 Cb 0.01 -0.20 0.03 0.00 0.03 0.00 0.00 46.19 46.06 1uem s LEU 73 CO 0.02 -0.34 0.08 -0.47 0.23 0.00 0.00 176.35 175.87 1uem s TYR 74 N 2.15 -0.03 -0.61 0.29 6.14 -0.65 -4.98 117.35 119.66 1uem s TYR 74 Ca 0.03 0.28 -0.27 0.00 0.64 0.00 0.00 57.07 57.74 1uem s TYR 74 Cb -0.15 -0.24 0.01 0.00 0.42 0.00 0.00 41.96 42.00 1uem s TYR 74 CO -0.08 -0.14 1.46 0.99 0.64 0.00 0.00 175.55 178.42 1uem s THR 75 N 1.36 3.70 0.48 4.34 2.01 -1.26 -1.15 115.64 125.11 1uem s THR 75 Ca -0.06 0.53 -0.22 0.00 0.31 0.00 0.00 61.69 62.25 1uem s THR 75 Cb -0.12 -4.45 -0.07 0.00 0.01 0.00 0.00 72.50 67.86 1uem s THR 75 CO -0.04 -1.27 1.15 -0.69 -0.69 0.00 0.00 174.62 173.07 1uem s VAL 76 N 6.49 3.17 0.30 3.82 1.01 -0.04 -4.89 120.40 130.26 1uem s VAL 76 Ca 0.51 0.84 0.03 0.00 0.00 0.00 0.00 61.98 63.36 1uem s VAL 76 Cb -0.11 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1uem s VAL 76 CO 0.22 -0.05 0.16 -0.13 0.00 0.00 0.00 175.10 175.30 1uem s ARG 77 N -2.84 1.59 0.00 2.72 0.52 -1.26 -1.39 118.95 118.29 1uem s ARG 77 Ca 0.66 -1.91 0.00 0.00 -0.52 0.00 0.00 55.73 53.96 1uem s ARG 77 Cb -0.27 -0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.12 1uem s ARG 77 CO 0.32 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.59 1uem n GLY 78 N -0.58 0.56 3.77 -3.53 0.00 -0.58 -4.89 105.19 99.94 1uem n GLY 78 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.88 0.11 0.99 1.43 0.81 -5.04 118.68 118.87 1uem s LEU 79 Ca 0.00 0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 53.79 1uem s LEU 79 Cb 0.00 -3.05 -0.07 0.00 0.03 0.00 0.00 46.19 43.10 1uem s LEU 79 CO 0.00 -2.83 0.55 -0.13 0.23 0.00 0.00 176.35 174.17 1uem s ARG 80 N -5.34 4.06 0.59 1.70 0.52 -1.26 -4.46 118.95 114.75 1uem s ARG 80 Ca 0.66 0.59 -0.14 0.00 -0.52 0.00 0.00 55.73 56.31 1uem s ARG 80 Cb -0.13 -3.06 -0.05 0.00 0.52 0.00 0.00 34.95 32.23 1uem s ARG 80 CO 0.54 0.55 1.02 -1.25 0.02 0.00 0.00 175.30 176.18 1uem s PRO 81 N -1.59 3.56 -1.61 3.54 0.04 -1.18 -4.01 135.00 133.76 1uem s PRO 81 Ca 0.34 0.97 -0.05 0.00 0.04 0.00 0.00 61.00 62.31 1uem s PRO 81 Cb -0.17 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.34 1uem s PRO 81 CO 0.19 -0.60 0.14 -1.71 0.04 0.00 0.00 177.00 175.06 1uem n ASN 82 N -2.19 0.34 -3.94 6.66 2.85 -0.71 -4.95 115.26 113.32 1uem n ASN 82 Ca 0.07 -1.26 -0.20 0.00 -0.11 0.00 0.00 54.58 53.09 1uem n ASN 82 Cb 0.54 -1.68 -0.16 0.00 1.24 0.00 0.00 39.78 39.72 1uem n ASN 82 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1uem s THR 83 N -4.15 0.62 0.47 -0.44 2.01 -1.26 -4.92 115.64 107.98 1uem s THR 83 Ca 0.16 -0.22 -0.22 0.00 0.31 0.00 0.00 61.69 61.71 1uem s THR 83 Cb -0.09 -0.60 -0.07 0.00 0.01 0.00 0.00 72.50 71.75 1uem s THR 83 CO 1.00 0.22 1.17 -0.63 -0.69 0.00 0.00 174.62 175.69 1uem s ILE 84 N 0.56 3.06 0.05 1.82 -1.09 -1.26 -1.75 121.20 122.59 1uem s ILE 84 Ca -0.08 0.78 -0.00 0.00 -2.23 0.00 0.00 60.65 59.12 1uem s ILE 84 Cb -0.11 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1uem s ILE 84 CO 0.01 -0.03 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.34 1uem s TYR 85 N -1.56 0.54 0.21 3.97 1.51 -0.30 -4.38 117.35 117.34 1uem s TYR 85 Ca 0.65 -0.89 0.07 0.00 -1.01 0.00 0.00 57.07 55.89 1uem s TYR 85 Cb -0.29 -0.37 -0.04 0.00 -0.11 0.00 0.00 41.96 41.15 1uem s TYR 85 CO 0.34 -0.28 0.12 -0.51 -1.11 0.00 0.00 175.55 174.12 1uem s LEU 86 N -2.53 3.66 0.02 -1.29 1.43 0.67 -0.94 118.68 119.69 1uem s LEU 86 Ca 0.02 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1uem s LEU 86 Cb 0.02 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 1uem s LEU 86 CO -0.06 0.03 -0.04 -0.36 0.23 0.00 0.00 176.35 176.15 1uem s PHE 87 N -1.94 0.32 0.02 0.29 0.08 -1.26 -0.84 117.98 114.66 1uem s PHE 87 Ca 0.31 -0.34 -0.04 0.00 0.12 0.00 0.00 56.93 56.99 1uem s PHE 87 Cb -0.09 -0.21 -0.01 0.00 -0.57 0.00 0.00 43.02 42.14 1uem s PHE 87 CO 0.23 -0.09 0.06 -1.64 -0.10 0.00 0.00 175.22 173.67 1uem s MET 88 N -0.95 0.48 -0.02 0.44 -1.94 -0.68 -3.05 119.30 113.57 1uem s MET 88 Ca -0.08 -0.66 -0.01 0.00 -1.71 0.00 0.00 55.69 53.23 1uem s MET 88 Cb -0.07 0.18 -0.04 0.00 2.01 0.00 0.00 34.83 36.92 1uem s MET 88 CO -0.00 -0.11 0.06 0.08 -0.01 0.00 0.00 175.02 175.04 1uem s VAL 89 N -2.05 4.61 -0.01 -6.03 1.01 -1.26 -0.87 120.40 115.79 1uem s VAL 89 Ca -0.10 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1uem s VAL 89 Cb -0.05 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1uem s VAL 89 CO -0.02 0.41 -0.15 -0.13 0.00 0.00 0.00 175.10 175.21 1uem s ARG 90 N -1.52 1.20 0.29 2.72 0.52 -0.44 -0.63 118.95 121.09 1uem s ARG 90 Ca 0.20 -0.53 -0.14 0.00 -0.52 0.00 0.00 55.73 54.74 1uem s ARG 90 Cb -0.12 -1.16 -0.08 0.00 0.52 0.00 0.00 34.95 34.11 1uem s ARG 90 CO 0.11 0.31 0.69 0.00 0.02 0.00 0.00 175.30 176.43 1uem s ALA 91 N -0.33 3.39 0.05 2.13 0.00 -1.26 -0.48 121.76 125.26 1uem s ALA 91 Ca 0.05 -0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.08 1uem s ALA 91 Cb -0.06 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 1uem s ALA 91 CO -0.01 0.37 -0.22 0.42 0.00 0.00 0.00 175.76 176.32 1uem s ILE 92 N -1.88 1.79 0.34 0.00 1.01 0.62 -0.36 121.20 122.71 1uem s ILE 92 Ca 0.51 -1.28 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 1uem s ILE 92 Cb -0.11 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.81 1uem s ILE 92 CO 0.19 0.22 0.52 0.54 0.00 0.00 0.00 174.94 176.41 1uem s ASN 93 N -1.27 0.62 -1.41 3.58 4.22 -0.98 -0.60 114.94 119.10 1uem s ASN 93 Ca 0.08 -1.35 -0.14 0.00 -2.14 0.00 0.00 52.86 49.32 1uem s ASN 93 Cb -0.09 0.68 -0.01 0.00 1.28 0.00 0.00 41.25 43.11 1uem s ASN 93 CO 0.02 -1.34 2.37 -0.81 -2.04 0.00 0.00 177.10 175.30 1uem n PRO 94 N -0.53 2.89 0.00 3.55 -0.04 -1.26 -3.60 135.00 136.00 1uem n PRO 94 Ca -0.01 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 1uem n PRO 94 Cb 0.61 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 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 5.52 0.00 -0.62 0.54 6.02 -1.26 -5.08 117.38 122.50 1uem n GLN 95 Ca 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 1uem n GLN 95 Cb 0.34 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.60 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 -1.30 3.47 3.90 1.08 0.00 -1.24 -5.17 105.19 105.92 1uem n GLY 96 Ca 0.00 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 4.24 0.90 0.99 0.05 -1.26 -2.31 118.68 121.29 1uem s LEU 97 Ca 0.00 0.18 -0.12 0.00 0.05 0.00 0.00 54.13 54.24 1uem s LEU 97 Cb 0.00 -2.84 0.13 0.00 -2.05 0.00 0.00 46.19 41.43 1uem s LEU 97 CO 0.00 0.13 1.11 -0.94 -0.55 0.00 0.00 176.35 176.10 1uem s SER 98 N -2.72 3.51 0.59 1.48 1.04 0.52 -4.96 113.70 113.16 1uem s SER 98 Ca 0.34 1.20 -0.18 0.00 0.48 0.00 0.00 55.95 57.79 1uem s SER 98 Cb -0.12 -1.86 -0.07 0.00 0.10 0.00 0.00 66.02 64.06 1uem s SER 98 CO 0.27 -2.58 0.63 0.47 0.98 0.00 0.00 173.24 173.01 1uem n ASP 99 N -3.81 -0.65 -4.73 7.02 9.92 -1.26 -4.65 116.55 118.39 1uem n ASP 99 Ca 0.06 0.74 -0.31 0.00 -0.53 0.00 0.00 54.79 54.75 1uem n ASP 99 Cb 0.57 -1.23 0.12 0.00 -0.64 0.00 0.00 41.12 39.95 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 -2.30 1.73 1.11 -0.24 0.04 -1.26 -4.57 135.00 129.50 1uem s PRO 100 Ca 0.70 1.20 -0.15 0.00 0.04 0.00 0.00 61.00 62.79 1uem s PRO 100 Cb -0.43 -1.83 0.17 0.00 0.04 0.00 0.00 34.50 32.45 1uem s PRO 100 CO 0.53 -2.03 0.50 -1.13 0.04 0.00 0.00 177.00 174.92 1uem n SER 101 N -3.79 -1.92 -4.50 6.66 3.41 0.19 -4.76 113.62 108.91 1uem n SER 101 Ca 0.09 -0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 1uem n SER 101 Cb 0.53 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 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 -3.25 0.76 -1.99 4.33 -0.02 -1.26 -4.79 135.00 128.78 1uem n PRO 102 Ca 0.03 0.28 -0.38 0.00 -2.02 0.00 0.00 63.50 61.40 1uem n PRO 102 Cb 0.57 -1.61 0.01 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.62 3.62 0.00 -0.52 -1.94 -1.26 -4.40 119.30 113.17 1uem s MET 103 Ca 0.63 2.11 0.06 0.00 -1.71 0.00 0.00 55.69 56.77 1uem s MET 103 Cb -0.63 -2.49 0.25 0.00 2.01 0.00 0.00 34.83 33.97 1uem s MET 103 CO 0.58 -0.77 1.17 -1.13 -0.01 0.00 0.00 175.02 174.86 1uem n SER 104 N -0.44 0.00 -0.19 3.03 3.41 -1.17 -4.81 113.62 113.45 1uem n SER 104 Ca 0.07 0.47 0.01 0.00 -0.26 0.00 0.00 58.87 59.16 1uem n SER 104 Cb 0.45 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.48 -1.02 -4.65 4.04 2.03 -1.26 -4.89 116.55 109.32 1uem n ASP 105 Ca 0.02 0.21 -0.43 0.00 0.52 0.00 0.00 54.79 55.11 1uem n ASP 105 Cb 0.07 -0.22 -0.02 0.00 -0.72 0.00 0.00 41.12 40.22 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 -3.64 4.07 -0.08 -0.67 0.04 -1.26 -4.67 135.00 128.79 1uem s PRO 106 Ca 0.00 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.72 1uem s PRO 106 Cb 0.00 -3.87 -0.02 0.00 0.04 0.00 0.00 34.50 30.65 1uem s PRO 106 CO 0.00 -0.93 -0.18 0.14 0.04 0.00 0.00 177.00 176.07 1uem s VAL 107 N 4.09 2.65 0.13 -0.36 -7.23 -0.11 -4.91 120.40 114.66 1uem s VAL 107 Ca 0.61 -0.84 -0.18 0.00 -1.81 0.00 0.00 61.98 59.75 1uem s VAL 107 Cb -0.23 -2.04 -0.07 0.00 0.56 0.00 0.00 36.38 34.60 1uem s VAL 107 CO 0.21 0.56 0.61 -0.60 -0.31 0.00 0.00 175.10 175.58 1uem s ARG 108 N -0.18 4.17 0.70 4.82 6.06 -1.26 -1.15 118.95 132.11 1uem s ARG 108 Ca -0.01 0.72 -0.11 0.00 -2.50 0.00 0.00 55.73 53.82 1uem s ARG 108 Cb -0.13 -3.08 0.02 0.00 0.06 0.00 0.00 34.95 31.81 1uem s ARG 108 CO 0.03 0.54 1.07 0.95 -2.50 0.00 0.00 175.30 175.39 1uem s THR 109 N -1.30 3.81 1.21 4.11 -4.23 -0.72 -4.94 115.64 113.58 1uem s THR 109 Ca 0.35 0.62 -0.18 0.00 -1.18 0.00 0.00 61.69 61.30 1uem s THR 109 Cb -0.18 -3.27 0.29 0.00 1.34 0.00 0.00 72.50 70.68 1uem s THR 109 CO 0.20 -0.74 1.05 -1.10 -0.54 0.00 0.00 174.62 173.49 1uem s GLN 110 N -4.88 -1.31 0.66 3.99 -1.52 -1.26 -3.22 119.66 112.11 1uem s GLN 110 Ca 0.60 0.24 -0.13 0.00 -1.95 0.00 0.00 55.36 54.12 1uem s GLN 110 Cb -0.15 -1.56 -0.01 0.00 -0.22 0.00 0.00 33.01 31.07 1uem s GLN 110 CO 0.53 -3.83 1.06 0.34 -0.25 0.00 0.00 175.29 173.14 1uem s ASP 111 N -3.38 5.48 -0.23 5.90 2.15 -1.26 -1.74 116.67 123.57 1uem s ASP 111 Ca 0.69 1.72 -0.04 0.00 0.43 0.00 0.00 52.55 55.35 1uem s ASP 111 Cb -0.15 -2.51 -0.07 0.00 -0.30 0.00 0.00 42.92 39.88 1uem s ASP 111 CO 0.58 -1.38 3.06 -0.24 -0.17 0.00 0.00 175.17 177.03 1uem n SER 112 N -2.69 5.90 -4.57 -0.34 2.88 -1.26 -4.52 113.62 109.02 1uem n SER 112 Ca 0.08 -2.85 -0.24 0.00 -1.33 0.00 0.00 58.87 54.53 1uem n SER 112 Cb 0.53 -1.30 -0.08 0.00 -0.75 0.00 0.00 64.21 62.61 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 1.12 1.75 0.89 0.46 0.00 -1.26 -5.14 107.32 105.12 1uem s GLY 113 Ca 0.58 -1.72 -0.11 0.00 0.00 0.00 0.00 44.72 43.46 1uem s GLY 113 CO -0.11 -1.80 1.09 2.56 0.00 0.00 0.00 173.10 174.85 1uem s PRO 114 N -3.54 1.34 0.21 2.90 0.04 -1.26 -4.97 135.00 129.72 1uem s PRO 114 Ca 0.30 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1uem s PRO 114 Cb -0.06 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1uem s PRO 114 CO 0.18 -2.18 0.00 0.43 0.04 0.00 0.00 177.00 175.46 1uem n SER 115 N -3.85 -1.48 -1.30 6.66 7.64 -1.26 -5.03 113.62 115.00 1uem n SER 115 Ca 0.07 0.39 -0.14 0.00 1.01 0.00 0.00 58.87 60.20 1uem n SER 115 Cb 0.55 1.58 -0.06 0.00 -1.01 0.00 0.00 64.21 65.26 1uem n SER 115 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uem n SER 116 N -2.99 -4.35 0.00 6.43 7.64 -1.26 -5.34 113.62 113.76 1uem n SER 116 Ca 0.00 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1uem n SER 116 Cb 0.00 -3.78 0.00 0.00 -1.01 0.00 0.00 64.21 59.42 1uem n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64