#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pc2 s GLU 2 N 0.00 1.84 1.47 3.17 2.02 -1.26 -4.92 118.70 121.02 1pc2 s GLU 2 Ca 0.00 -0.53 -0.24 0.00 0.02 0.00 0.00 54.97 54.21 1pc2 s GLU 2 Cb 0.00 -5.05 0.38 0.00 0.10 0.00 0.00 34.13 29.56 1pc2 s GLU 2 CO 0.00 -4.60 0.89 0.00 0.02 0.00 0.00 175.26 171.57 1pc2 n ALA 3 N 17.10 -5.18 -1.77 5.21 0.00 -1.26 -4.89 120.51 129.73 1pc2 n ALA 3 Ca 0.43 -1.56 -0.40 0.00 0.00 0.00 0.00 53.44 51.92 1pc2 n ALA 3 Cb 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 19.45 19.77 1pc2 n ALA 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1pc2 s VAL 4 N -2.17 2.45 -1.23 0.00 -7.23 -1.26 -4.91 120.40 106.05 1pc2 s VAL 4 Ca 0.68 0.43 -0.11 0.00 -1.81 0.00 0.00 61.98 61.16 1pc2 s VAL 4 Cb -0.12 -3.26 0.18 0.00 0.56 0.00 0.00 36.38 33.75 1pc2 s VAL 4 CO 0.56 0.08 1.63 0.18 -0.31 0.00 0.00 175.10 177.24 1pc2 n LEU 5 N 0.26 5.95 -0.43 1.32 7.99 -1.26 -4.76 117.00 126.07 1pc2 n LEU 5 Ca 0.03 -4.60 0.00 0.00 -0.01 0.00 0.00 56.01 51.43 1pc2 n LEU 5 Cb 0.42 -1.53 0.00 0.00 -0.11 0.00 0.00 43.42 42.20 1pc2 n LEU 5 CO 0.58 1.09 0.25 -3.20 -1.51 0.00 0.00 177.39 174.61 1pc2 n ASN 6 N 4.53 0.75 -3.06 -1.43 2.85 -1.26 -4.91 115.26 112.73 1pc2 n ASN 6 Ca 0.37 -1.76 -0.00 0.00 -0.11 0.00 0.00 54.58 53.08 1pc2 n ASN 6 Cb 0.39 -0.38 -0.00 0.00 1.24 0.00 0.00 39.78 41.03 1pc2 n ASN 6 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1pc2 n GLU 7 N -0.02 -1.26 0.00 1.20 2.13 -1.26 -4.88 120.64 116.54 1pc2 n GLU 7 Ca 0.00 1.33 0.00 0.00 0.66 0.00 0.00 57.16 59.15 1pc2 n GLU 7 Cb 0.19 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.22 1pc2 n GLU 7 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1pc2 n LEU 8 N 1.68 0.00 -4.24 4.31 4.77 -1.26 -4.57 117.00 117.69 1pc2 n LEU 8 Ca -0.03 0.75 -0.35 0.00 -0.03 0.00 0.00 56.01 56.35 1pc2 n LEU 8 Cb 0.29 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 40.99 1pc2 n LEU 8 CO 0.08 -0.25 -0.41 -0.69 -1.33 0.00 0.00 177.39 174.79 1pc2 s VAL 9 N -1.98 3.01 0.26 4.08 1.01 -1.26 -5.09 120.40 120.42 1pc2 s VAL 9 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 1pc2 s VAL 9 Cb 0.00 -2.44 -0.10 0.00 0.00 0.00 0.00 36.38 33.84 1pc2 s VAL 9 CO 0.00 0.32 1.42 -0.44 0.00 0.00 0.00 175.10 176.40 1pc2 s SER 10 N 1.39 6.67 0.54 3.32 0.01 -1.26 -4.82 113.70 119.55 1pc2 s SER 10 Ca 0.03 2.66 0.34 0.00 1.31 0.00 0.00 55.95 60.29 1pc2 s SER 10 Cb -0.15 -2.63 1.51 0.00 0.21 0.00 0.00 66.02 64.96 1pc2 s SER 10 CO -0.05 -0.68 1.85 0.58 0.41 0.00 0.00 173.24 175.35 1pc2 h VAL 11 N 3.49 0.48 -0.56 3.43 2.07 -1.99 0.50 116.25 123.67 1pc2 h VAL 11 Ca -0.46 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1pc2 h VAL 11 Cb 1.22 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1pc2 h VAL 11 CO 0.76 0.00 0.13 -0.33 0.02 0.00 0.00 177.57 178.15 1pc2 h GLU 12 N 0.00 0.90 -0.31 1.57 5.08 -1.98 0.25 114.58 120.10 1pc2 h GLU 12 Ca 0.48 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1pc2 h GLU 12 Cb 1.94 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 1pc2 h GLU 12 CO -0.01 0.84 -0.14 -0.44 -1.00 0.00 0.00 179.01 178.26 1pc2 h ASP 13 N 0.80 0.66 -0.41 1.42 5.19 -0.38 0.63 116.42 124.34 1pc2 h ASP 13 Ca 0.18 -0.41 -0.06 0.00 -0.62 0.00 0.00 57.03 56.12 1pc2 h ASP 13 Cb 0.35 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 1pc2 h ASP 13 CO 0.00 0.92 0.02 0.25 -3.12 0.00 0.00 179.24 177.31 1pc2 h LEU 14 N 0.40 0.68 -0.06 1.55 6.46 -1.19 -2.41 115.31 120.74 1pc2 h LEU 14 Ca 0.07 -0.29 -0.25 0.00 -0.12 0.00 0.00 57.88 57.28 1pc2 h LEU 14 Cb 0.67 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1pc2 h LEU 14 CO 0.04 0.81 -1.04 -0.07 -0.62 0.00 0.00 178.44 177.56 1pc2 h LEU 15 N 0.54 0.70 -0.54 2.25 3.38 -0.93 -2.29 115.31 118.42 1pc2 h LEU 15 Ca 0.12 -0.58 0.10 0.00 0.09 0.00 0.00 57.88 57.61 1pc2 h LEU 15 Cb 0.44 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 1pc2 h LEU 15 CO 0.02 1.39 0.05 0.50 0.09 0.00 0.00 178.44 180.48 1pc2 h LYS 16 N 0.28 0.16 0.00 1.13 3.11 0.38 0.85 116.57 122.48 1pc2 h LYS 16 Ca -0.11 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.62 1pc2 h LYS 16 Cb 1.69 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.87 1pc2 h LYS 16 CO 0.19 0.11 -0.44 0.74 -2.81 0.00 0.00 179.45 177.24 1pc2 h PHE 17 N 0.17 0.00 -0.28 1.91 0.04 -1.45 -2.78 116.94 114.54 1pc2 h PHE 17 Ca 0.28 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.88 1pc2 h PHE 17 Cb 0.42 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 1pc2 h PHE 17 CO -0.29 0.44 -0.48 1.49 -0.60 0.00 0.00 178.31 178.86 1pc2 h GLU 18 N 0.00 0.77 -0.55 1.51 4.81 0.33 -3.01 114.58 118.44 1pc2 h GLU 18 Ca -0.00 -0.45 0.08 0.00 -0.13 0.00 0.00 59.36 58.86 1pc2 h GLU 18 Cb 0.91 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.26 1pc2 h GLU 18 CO 0.06 1.07 0.18 0.87 -0.73 0.00 0.00 179.01 180.46 1pc2 h LYS 19 N 0.60 0.33 -0.31 1.92 1.79 0.76 -0.18 116.57 121.50 1pc2 h LYS 19 Ca 0.03 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.52 1pc2 h LYS 19 Cb 1.06 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.59 1pc2 h LYS 19 CO 0.10 0.22 0.06 -0.22 -1.08 0.00 0.00 179.45 178.54 1pc2 h LYS 20 N 0.34 0.17 -0.43 3.15 3.64 -1.49 0.14 116.57 122.10 1pc2 h LYS 20 Ca 0.27 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.72 1pc2 h LYS 20 Cb 0.33 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1pc2 h LYS 20 CO -0.30 0.11 0.29 0.35 -2.27 0.00 0.00 179.45 177.64 1pc2 h PHE 21 N 0.18 0.27 0.08 1.91 3.04 -1.05 -0.57 116.94 120.80 1pc2 h PHE 21 Ca 0.14 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 1pc2 h PHE 21 Cb 0.15 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.57 1pc2 h PHE 21 CO -0.17 0.14 -0.04 1.96 -2.02 0.00 0.00 178.31 178.18 1pc2 h GLN 22 N 0.27 -0.11 -0.08 1.11 4.20 0.77 -1.96 115.11 119.30 1pc2 h GLN 22 Ca 0.19 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.94 1pc2 h GLN 22 Cb 0.43 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1pc2 h GLN 22 CO -0.04 0.43 -0.07 0.77 -0.67 0.00 0.00 178.83 179.26 1pc2 h SER 23 N -0.83 -0.21 0.06 1.46 0.02 -0.38 0.66 113.55 114.33 1pc2 h SER 23 Ca -0.01 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1pc2 h SER 23 Cb 0.59 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1pc2 h SER 23 CO 0.02 -0.09 -0.13 -0.33 -1.14 0.00 0.00 176.83 175.16 1pc2 h GLU 24 N -0.08 -0.24 -0.85 3.45 4.39 -1.23 -1.31 114.58 118.72 1pc2 h GLU 24 Ca 0.06 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.82 1pc2 h GLU 24 Cb 0.16 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.81 1pc2 h GLU 24 CO -0.13 -0.16 0.56 -0.22 -1.16 0.00 0.00 179.01 177.89 1pc2 h LYS 25 N -0.25 0.99 -0.95 2.33 3.64 -0.56 -0.55 116.57 121.21 1pc2 h LYS 25 Ca 0.03 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.46 1pc2 h LYS 25 Cb 0.28 -0.22 -0.08 0.00 -0.41 0.00 0.00 32.23 31.79 1pc2 h LYS 25 CO -0.09 0.65 0.59 0.00 -2.27 0.00 0.00 179.45 178.33 1pc2 h ALA 26 N 1.52 1.41 0.00 5.00 0.00 0.14 1.19 119.26 128.51 1pc2 h ALA 26 Ca 0.35 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1pc2 h ALA 26 Cb 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1pc2 h ALA 26 CO -0.11 0.21 0.01 0.00 0.00 0.00 0.00 179.25 179.36 1pc2 h ALA 27 N 1.51 1.01 0.00 0.00 0.00 -0.34 -3.44 119.26 118.00 1pc2 h ALA 27 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1pc2 h ALA 27 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pc2 h ALA 27 CO -0.26 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.40 1pc2 n GLY 28 N -1.28 0.98 3.28 0.00 0.00 0.41 -5.07 105.19 103.51 1pc2 n GLY 28 Ca -0.02 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1pc2 n GLY 28 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pc2 s SER 29 N -2.00 -0.13 -0.04 1.61 0.15 -1.15 -5.00 113.70 107.13 1pc2 s SER 29 Ca 0.00 -0.38 -0.01 0.00 0.70 0.00 0.00 55.95 56.26 1pc2 s SER 29 Cb 0.00 0.43 0.03 0.00 -1.71 0.00 0.00 66.02 64.76 1pc2 s SER 29 CO 0.00 -0.79 0.01 -0.69 1.20 0.00 0.00 173.24 172.97 1pc2 s VAL 30 N -3.68 0.16 0.29 4.45 1.01 -1.26 -1.82 120.40 119.55 1pc2 s VAL 30 Ca 0.03 0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 1pc2 s VAL 30 Cb 0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 36.01 1pc2 s VAL 30 CO -0.11 0.18 1.07 -0.44 0.00 0.00 0.00 175.10 175.80 1pc2 s SER 31 N 1.50 7.24 0.39 3.32 0.01 -1.26 -4.91 113.70 119.99 1pc2 s SER 31 Ca -0.03 2.19 0.12 0.00 1.31 0.00 0.00 55.95 59.54 1pc2 s SER 31 Cb -0.13 -2.62 0.92 0.00 0.21 0.00 0.00 66.02 64.40 1pc2 s SER 31 CO -0.03 -0.16 1.92 0.11 0.41 0.00 0.00 173.24 175.49 1pc2 h LYS 32 N 3.66 0.55 -0.86 12.44 1.57 -2.00 0.55 116.57 132.47 1pc2 h LYS 32 Ca -0.47 -0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.44 1pc2 h LYS 32 Cb 1.21 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 33.33 1pc2 h LYS 32 CO 0.66 0.36 0.56 0.77 -0.57 0.00 0.00 179.45 181.24 1pc2 h SER 33 N 0.56 0.53 0.01 0.86 0.02 -1.99 0.34 113.55 113.88 1pc2 h SER 33 Ca 0.37 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.33 1pc2 h SER 33 Cb 0.67 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1pc2 h SER 33 CO -0.14 0.25 -0.11 0.74 -1.14 0.00 0.00 176.83 176.43 1pc2 h THR 34 N 0.55 1.64 -0.85 -2.27 2.02 -1.27 -2.34 112.91 110.39 1pc2 h THR 34 Ca 0.44 -2.03 0.03 0.00 0.77 0.00 0.00 66.41 65.62 1pc2 h THR 34 Cb 0.88 2.99 -0.05 0.00 -1.74 0.00 0.00 68.15 70.22 1pc2 h THR 34 CO -0.18 0.54 0.56 -0.61 0.37 0.00 0.00 175.52 176.20 1pc2 h GLN 35 N -0.73 1.05 0.18 6.66 4.15 -1.09 0.66 115.11 125.99 1pc2 h GLN 35 Ca -0.02 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1pc2 h GLN 35 Cb 0.94 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1pc2 h GLN 35 CO 0.02 0.69 -0.09 0.35 -1.93 0.00 0.00 178.83 177.88 1pc2 h PHE 36 N 1.08 -0.22 0.00 3.99 3.04 -0.42 -2.27 116.94 122.14 1pc2 h PHE 36 Ca 0.34 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.28 1pc2 h PHE 36 Cb 0.00 0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.59 1pc2 h PHE 36 CO -0.00 0.15 0.00 0.93 -2.02 0.00 0.00 178.31 177.37 1pc2 h GLU 37 N -0.65 0.00 0.05 1.11 5.08 -1.23 -3.07 114.58 115.86 1pc2 h GLU 37 Ca -0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.07 1pc2 h GLU 37 Cb 0.47 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.75 1pc2 h GLU 37 CO 0.04 0.00 -1.08 -0.92 -1.00 0.00 0.00 179.01 176.05 1pc2 h TYR 38 N 0.00 1.00 -0.41 4.33 3.20 0.41 -3.09 116.97 122.40 1pc2 h TYR 38 Ca 0.00 -0.58 -0.10 0.00 3.14 0.00 0.00 58.73 61.19 1pc2 h TYR 38 Cb 0.62 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1pc2 h TYR 38 CO 0.00 1.41 -0.15 0.00 -1.64 0.00 0.00 178.16 177.78 1pc2 h ALA 39 N 0.34 0.96 -0.61 1.82 0.00 -1.34 -2.62 119.26 117.82 1pc2 h ALA 39 Ca -0.15 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.50 1pc2 h ALA 39 Cb 1.75 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 1pc2 h ALA 39 CO 0.21 0.61 0.30 2.35 0.00 0.00 0.00 179.25 182.71 1pc2 h TRP 40 N 0.68 0.53 -0.72 0.00 7.01 -1.55 0.21 115.95 122.11 1pc2 h TRP 40 Ca 0.11 0.03 0.10 0.00 2.11 0.00 0.00 58.89 61.23 1pc2 h TRP 40 Cb 0.64 -0.15 -0.07 0.00 -2.10 0.00 0.00 29.16 27.48 1pc2 h TRP 40 CO 0.03 0.22 0.36 0.00 -2.79 0.00 0.00 178.44 176.26 1pc2 h LEU 42 N 0.60 0.88 -1.92 0.00 3.38 -1.17 -3.14 115.31 113.94 1pc2 h LEU 42 Ca 0.36 -0.76 0.03 0.00 0.09 0.00 0.00 57.88 57.59 1pc2 h LEU 42 Cb 0.39 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1pc2 h LEU 42 CO -0.28 1.57 0.38 0.58 0.09 0.00 0.00 178.44 180.78 1pc2 h VAL 43 N 0.33 0.08 -0.53 1.22 2.07 -0.14 0.59 116.25 119.87 1pc2 h VAL 43 Ca -0.16 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.11 1pc2 h VAL 43 Cb 1.82 0.64 -0.15 0.00 -1.52 0.00 0.00 31.29 32.07 1pc2 h VAL 43 CO 0.22 0.00 0.14 0.54 0.02 0.00 0.00 177.57 178.49 1pc2 n ARG 44 N -3.06 2.17 -2.47 1.57 3.00 -1.04 -4.87 116.66 111.97 1pc2 n ARG 44 Ca 0.00 -3.11 -0.28 0.00 -0.01 0.00 0.00 57.85 54.46 1pc2 n ARG 44 Cb 0.46 -1.94 0.01 0.00 0.00 0.00 0.00 32.46 30.99 1pc2 n ARG 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1pc2 s SER 45 N -2.07 6.04 0.00 0.55 1.04 0.21 -4.38 113.70 115.09 1pc2 s SER 45 Ca 0.48 0.92 0.29 0.00 0.48 0.00 0.00 55.95 58.12 1pc2 s SER 45 Cb 0.42 -2.10 1.26 0.00 0.10 0.00 0.00 66.02 65.71 1pc2 s SER 45 CO 0.04 -0.77 1.89 1.17 0.98 0.00 0.00 173.24 176.56 1pc2 n LYS 46 N -2.43 0.44 -4.36 4.02 4.81 -1.26 -4.78 118.16 114.60 1pc2 n LYS 46 Ca 0.02 -0.10 -0.35 0.00 -0.87 0.00 0.00 58.31 57.01 1pc2 n LYS 46 Cb 0.56 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.02 1pc2 n LYS 46 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1pc2 s TYR 47 N -2.63 3.16 0.05 5.64 2.02 -1.26 -5.02 117.35 119.31 1pc2 s TYR 47 Ca 0.25 0.19 -0.19 0.00 -0.37 0.00 0.00 57.07 56.95 1pc2 s TYR 47 Cb 0.20 -1.78 -0.15 0.00 -0.40 0.00 0.00 41.96 39.83 1pc2 s TYR 47 CO 0.50 0.47 1.31 -2.95 -1.57 0.00 0.00 175.55 173.31 1pc2 h ASN 48 N 5.11 0.50 -0.96 2.29 -1.07 -1.97 -3.10 115.58 116.38 1pc2 h ASN 48 Ca -0.51 -0.54 0.22 0.00 0.07 0.00 0.00 56.30 55.54 1pc2 h ASN 48 Cb 1.19 -0.14 -0.08 0.00 -2.07 0.00 0.00 38.32 37.22 1pc2 h ASN 48 CO 0.54 0.94 0.63 0.44 0.07 0.00 0.00 177.43 180.05 1pc2 h ASP 49 N 0.07 0.46 0.53 6.14 5.19 -1.98 0.67 116.42 127.49 1pc2 h ASP 49 Ca 0.01 0.06 -0.16 0.00 -0.62 0.00 0.00 57.03 56.31 1pc2 h ASP 49 Cb 0.85 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 1pc2 h ASP 49 CO 0.06 0.15 -0.72 0.44 -3.12 0.00 0.00 179.24 176.05 1pc2 h ASP 50 N 0.44 0.19 0.03 6.45 3.32 -1.89 -2.23 116.42 122.73 1pc2 h ASP 50 Ca 0.52 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.37 1pc2 h ASP 50 Cb 1.25 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.75 1pc2 h ASP 50 CO -0.23 0.85 -0.27 0.40 -1.72 0.00 0.00 179.24 178.27 1pc2 h ILE 51 N 0.11 1.62 -0.97 0.35 2.04 -0.29 -0.52 117.51 119.85 1pc2 h ILE 51 Ca -0.02 -2.17 0.17 0.00 1.00 0.00 0.00 64.86 63.84 1pc2 h ILE 51 Cb 1.28 3.04 -0.09 0.00 -0.74 0.00 0.00 36.82 40.31 1pc2 h ILE 51 CO 0.11 0.59 0.61 -0.09 0.00 0.00 0.00 178.15 179.36 1pc2 h ARG 52 N -0.64 0.70 -0.19 2.37 2.43 0.08 0.70 114.38 119.83 1pc2 h ARG 52 Ca -0.04 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.92 1pc2 h ARG 52 Cb 1.11 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1pc2 h ARG 52 CO 0.05 0.46 -0.56 -0.22 -1.51 0.00 0.00 179.97 178.19 1pc2 h LYS 53 N 0.72 0.58 -0.75 0.20 3.64 -1.38 -2.91 116.57 116.67 1pc2 h LYS 53 Ca 0.52 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1pc2 h LYS 53 Cb 0.86 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1pc2 h LYS 53 CO -0.29 0.99 0.30 0.78 -2.27 0.00 0.00 179.45 178.96 1pc2 h GLY 54 N 1.03 1.20 1.70 5.01 0.00 0.20 0.18 103.07 112.38 1pc2 h GLY 54 Ca 0.01 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.63 1pc2 h GLY 54 CO 0.11 0.61 -0.11 -2.22 0.00 0.00 0.00 176.54 174.92 1pc2 h ILE 55 N 1.09 1.20 0.00 2.60 5.03 -0.58 -1.87 117.51 124.99 1pc2 h ILE 55 Ca 0.25 -0.88 -0.00 0.00 -0.12 0.00 0.00 64.86 64.11 1pc2 h ILE 55 Cb 0.21 1.16 0.00 0.00 -3.03 0.00 0.00 36.82 35.16 1pc2 h ILE 55 CO -0.02 0.28 -0.00 0.58 -0.68 0.00 0.00 178.15 178.31 1pc2 h VAL 56 N 0.35 1.39 -0.56 1.67 2.07 -1.15 -1.44 116.25 118.58 1pc2 h VAL 56 Ca 0.07 -1.16 0.11 0.00 0.82 0.00 0.00 66.70 66.54 1pc2 h VAL 56 Cb 0.42 2.18 -0.11 0.00 -1.52 0.00 0.00 31.29 32.26 1pc2 h VAL 56 CO 0.02 0.30 -0.15 -0.07 0.02 0.00 0.00 177.57 177.69 1pc2 h LEU 57 N -0.50 -0.55 -0.36 2.57 3.38 -0.63 0.22 115.31 119.43 1pc2 h LEU 57 Ca -0.00 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1pc2 h LEU 57 Cb 0.50 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1pc2 h LEU 57 CO 0.00 -0.19 0.12 -0.07 0.09 0.00 0.00 178.44 178.39 1pc2 h LEU 58 N -0.01 0.52 -0.72 1.67 3.38 -1.33 -2.84 115.31 115.98 1pc2 h LEU 58 Ca 0.27 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1pc2 h LEU 58 Cb 0.42 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1pc2 h LEU 58 CO -0.58 0.57 0.41 -0.33 0.09 0.00 0.00 178.44 178.60 1pc2 h GLU 59 N 0.43 0.74 -0.70 1.13 5.08 0.08 -1.24 114.58 120.10 1pc2 h GLU 59 Ca 0.12 -0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.54 1pc2 h GLU 59 Cb 0.23 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 1pc2 h GLU 59 CO -0.01 0.49 0.46 0.93 -1.00 0.00 0.00 179.01 179.88 1pc2 h GLU 60 N 0.76 0.50 0.00 2.33 5.08 -0.41 -1.41 114.58 121.43 1pc2 h GLU 60 Ca 0.32 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.51 1pc2 h GLU 60 Cb 0.19 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1pc2 h GLU 60 CO -0.18 0.33 -0.67 -0.07 -1.00 0.00 0.00 179.01 177.42 1pc2 h LEU 61 N 0.51 0.00 -0.33 1.33 3.38 -1.14 -3.36 115.31 115.71 1pc2 h LEU 61 Ca 0.33 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.37 1pc2 h LEU 61 Cb 0.58 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 1pc2 h LEU 61 CO -0.11 0.67 -0.28 -0.07 0.09 0.00 0.00 178.44 178.74 1pc2 h LEU 62 N 0.00 -0.93 -2.71 1.67 3.38 -0.82 1.22 115.31 117.11 1pc2 h LEU 62 Ca -0.01 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1pc2 h LEU 62 Cb 1.42 0.44 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 1pc2 h LEU 62 CO 0.09 -0.30 0.07 -0.65 0.09 0.00 0.00 178.44 177.74 1pc2 h PRO 63 N -0.25 0.00 -0.01 1.13 0.10 -1.70 -1.44 132.00 129.83 1pc2 h PRO 63 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.26 1pc2 h PRO 63 Cb 0.51 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.61 1pc2 h PRO 63 CO -0.47 0.00 -0.39 1.63 0.10 0.00 0.00 178.00 178.87 1pc2 n LYS 64 N -3.20 1.90 -3.10 1.05 5.02 0.15 -4.98 118.16 115.00 1pc2 n LYS 64 Ca -0.02 -0.59 -0.33 0.00 -2.02 0.00 0.00 58.31 55.35 1pc2 n LYS 64 Cb 0.14 -1.22 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 1pc2 n LYS 64 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1pc2 s GLY 65 N -1.91 2.39 0.00 0.72 0.00 0.37 -5.07 107.32 103.82 1pc2 s GLY 65 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.92 1pc2 s GLY 65 CO 0.42 0.33 0.00 1.44 0.00 0.00 0.00 173.10 175.29 1pc2 n SER 66 N -0.22 -0.75 -0.02 1.64 7.64 -1.26 -4.66 113.62 116.00 1pc2 n SER 66 Ca 0.03 -0.11 -0.16 0.00 1.01 0.00 0.00 58.87 59.64 1pc2 n SER 66 Cb 0.53 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.61 1pc2 n SER 66 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1pc2 h LYS 67 N 0.00 0.25 -0.69 1.43 1.57 -1.97 -2.78 116.57 114.38 1pc2 h LYS 67 Ca 0.00 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.45 1pc2 h LYS 67 Cb 0.00 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1pc2 h LYS 67 CO 0.00 0.99 0.20 0.93 -0.57 0.00 0.00 179.45 181.00 1pc2 h GLU 68 N -0.38 1.08 -0.33 3.15 5.08 -2.01 -2.26 114.58 118.90 1pc2 h GLU 68 Ca -0.05 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1pc2 h GLU 68 Cb 1.12 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1pc2 h GLU 68 CO 0.07 0.94 0.12 0.93 -1.00 0.00 0.00 179.01 180.07 1pc2 h GLU 69 N 1.01 0.46 -0.09 2.33 3.07 -1.89 -2.30 114.58 117.17 1pc2 h GLU 69 Ca 0.22 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1pc2 h GLU 69 Cb 0.32 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1pc2 h GLU 69 CO -0.00 0.40 0.05 1.96 -1.40 0.00 0.00 179.01 180.01 1pc2 h GLN 70 N 0.46 0.11 -0.85 2.33 4.20 -1.11 0.25 115.11 120.50 1pc2 h GLN 70 Ca 0.11 -0.01 0.21 0.00 0.06 0.00 0.00 58.65 59.02 1pc2 h GLN 70 Cb 0.12 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 1pc2 h GLN 70 CO -0.01 0.07 0.58 0.00 -0.67 0.00 0.00 178.83 178.80 1pc2 h ARG 71 N 0.11 0.26 0.02 1.46 3.08 -1.29 0.54 114.38 118.56 1pc2 h ARG 71 Ca 0.04 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1pc2 h ARG 71 Cb -0.00 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.00 1pc2 h ARG 71 CO -0.02 0.17 -0.30 -0.44 -1.07 0.00 0.00 179.97 178.31 1pc2 h ASP 72 N 0.27 0.23 -0.64 7.04 3.32 -0.92 -2.88 116.42 122.84 1pc2 h ASP 72 Ca 0.43 -0.83 0.09 0.00 0.02 0.00 0.00 57.03 56.73 1pc2 h ASP 72 Cb 1.25 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.66 1pc2 h ASP 72 CO -0.11 1.04 0.28 1.88 -1.72 0.00 0.00 179.24 180.60 1pc2 h TYR 73 N -0.55 0.49 -0.34 4.55 0.05 0.97 0.15 116.97 122.30 1pc2 h TYR 73 Ca -0.04 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1pc2 h TYR 73 Cb 1.10 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.70 1pc2 h TYR 73 CO 0.20 0.15 0.18 0.28 -1.05 0.00 0.00 178.16 177.92 1pc2 h VAL 74 N 0.49 1.11 0.04 -2.88 2.07 -1.02 -1.50 116.25 114.55 1pc2 h VAL 74 Ca 0.32 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1pc2 h VAL 74 Cb 0.37 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1pc2 h VAL 74 CO -0.28 0.12 -0.02 0.15 0.02 0.00 0.00 177.57 177.56 1pc2 h PHE 75 N 0.47 -0.05 -0.24 1.57 3.57 -0.49 -2.35 116.94 119.42 1pc2 h PHE 75 Ca 0.12 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1pc2 h PHE 75 Cb 0.02 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1pc2 h PHE 75 CO 0.00 0.16 -0.36 1.88 -2.23 0.00 0.00 178.31 177.76 1pc2 h TYR 76 N -0.25 0.60 -0.55 0.41 0.05 -1.17 -2.98 116.97 113.09 1pc2 h TYR 76 Ca -0.01 -0.16 0.01 0.00 0.05 0.00 0.00 58.73 58.63 1pc2 h TYR 76 Cb 0.23 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 1pc2 h TYR 76 CO -0.01 0.81 0.35 -0.07 -1.05 0.00 0.00 178.16 178.19 1pc2 h LEU 77 N 0.44 0.59 -1.69 3.88 3.38 -1.18 0.19 115.31 120.91 1pc2 h LEU 77 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1pc2 h LEU 77 Cb 0.83 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1pc2 h LEU 77 CO 0.07 0.42 0.04 0.00 0.09 0.00 0.00 178.44 179.06 1pc2 h ALA 78 N 1.22 1.76 -0.04 1.53 0.00 -1.30 0.12 119.26 122.55 1pc2 h ALA 78 Ca 0.21 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1pc2 h ALA 78 Cb -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1pc2 h ALA 78 CO -0.07 0.19 -0.34 0.28 0.00 0.00 0.00 179.25 179.32 1pc2 h VAL 79 N 0.23 1.46 -0.40 0.00 2.07 -0.99 -1.42 116.25 117.20 1pc2 h VAL 79 Ca 0.06 -1.84 -0.05 0.00 0.82 0.00 0.00 66.70 65.69 1pc2 h VAL 79 Cb 0.10 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1pc2 h VAL 79 CO -0.00 0.52 0.07 1.23 0.02 0.00 0.00 177.57 179.41 1pc2 h GLY 80 N -0.26 0.71 2.00 2.17 0.00 -0.26 -2.50 103.07 104.94 1pc2 h GLY 80 Ca -0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 1pc2 h GLY 80 CO 0.07 0.44 -0.35 3.43 0.00 0.00 0.00 176.54 180.13 1pc2 h ASN 81 N 0.52 0.00 0.30 0.19 2.35 -0.85 -2.42 115.58 115.68 1pc2 h ASN 81 Ca 0.12 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1pc2 h ASN 81 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1pc2 h ASN 81 CO 0.01 0.35 -0.30 0.22 -1.65 0.00 0.00 177.43 176.06 1pc2 h TYR 82 N 0.00 0.00 -0.06 1.19 3.20 -0.81 -2.84 116.97 117.64 1pc2 h TYR 82 Ca -0.00 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.68 1pc2 h TYR 82 Cb 0.68 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.96 1pc2 h TYR 82 CO 0.00 0.30 -0.69 0.00 -1.64 0.00 0.00 178.16 176.12 1pc2 h ARG 83 N 0.00 0.58 -1.71 1.82 2.47 -1.16 -3.22 114.38 113.15 1pc2 h ARG 83 Ca -0.00 -0.54 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 1pc2 h ARG 83 Cb 0.53 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1pc2 h ARG 83 CO 0.04 1.16 0.00 1.28 0.56 0.00 0.00 179.97 183.01 1pc2 n LEU 84 N -4.10 1.24 0.00 3.04 4.77 -1.10 -4.62 117.00 116.23 1pc2 n LEU 84 Ca -0.09 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1pc2 n LEU 84 Cb 0.71 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1pc2 n LEU 84 CO 0.50 0.22 0.00 1.17 -1.33 0.00 0.00 177.39 177.94 1pc2 n LYS 85 N 1.02 0.00 -2.47 3.23 4.81 -1.22 -4.83 118.16 118.71 1pc2 n LYS 85 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 1pc2 n LYS 85 Cb 0.18 -3.91 -0.03 0.00 0.02 0.00 0.00 35.03 31.29 1pc2 n LYS 85 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1pc2 s GLU 86 N -0.79 3.35 -0.01 1.64 0.41 -1.09 -4.77 118.70 117.44 1pc2 s GLU 86 Ca 0.00 -0.81 -0.05 0.00 -0.41 0.00 0.00 54.97 53.70 1pc2 s GLU 86 Cb 0.00 -5.11 -0.28 0.00 -1.78 0.00 0.00 34.13 26.96 1pc2 s GLU 86 CO 0.00 -2.38 0.82 1.88 -0.49 0.00 0.00 175.26 175.08 1pc2 h TYR 87 N 10.21 0.52 0.07 1.61 0.05 -1.88 -2.97 116.97 124.58 1pc2 h TYR 87 Ca 0.10 -0.38 -0.00 0.00 0.05 0.00 0.00 58.73 58.49 1pc2 h TYR 87 Cb 1.02 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.74 1pc2 h TYR 87 CO 1.24 1.45 -0.03 1.49 -1.05 0.00 0.00 178.16 181.26 1pc2 h GLU 88 N 0.08 -0.08 -0.16 4.88 4.81 -1.96 -2.74 114.58 119.40 1pc2 h GLU 88 Ca -0.27 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1pc2 h GLU 88 Cb 2.04 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.43 1pc2 h GLU 88 CO 0.17 0.36 0.05 -0.22 -0.73 0.00 0.00 179.01 178.64 1pc2 h LYS 89 N -0.56 0.25 -0.87 1.92 3.64 -1.96 -2.41 116.57 116.58 1pc2 h LYS 89 Ca -0.01 -0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.48 1pc2 h LYS 89 Cb 0.48 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 1pc2 h LYS 89 CO 0.01 0.37 0.57 0.00 -2.27 0.00 0.00 179.45 178.13 1pc2 h ALA 90 N 0.87 1.98 0.00 5.00 0.00 -1.59 0.51 119.26 126.04 1pc2 h ALA 90 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pc2 h ALA 90 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pc2 h ALA 90 CO -0.00 -0.24 0.00 -0.07 0.00 0.00 0.00 179.25 178.94 1pc2 h LEU 91 N 0.56 0.00 -0.67 0.00 3.38 -1.15 -2.27 115.31 115.17 1pc2 h LEU 91 Ca 0.44 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.33 1pc2 h LEU 91 Cb 0.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1pc2 h LEU 91 CO -0.19 0.00 0.06 0.50 0.09 0.00 0.00 178.44 178.90 1pc2 h LYS 92 N 0.00 1.09 0.03 1.13 1.63 0.50 1.42 116.57 122.38 1pc2 h LYS 92 Ca 0.00 -0.32 -0.22 0.00 -0.85 0.00 0.00 60.65 59.26 1pc2 h LYS 92 Cb 0.70 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1pc2 h LYS 92 CO 0.00 1.03 -0.97 1.88 -3.45 0.00 0.00 179.45 177.93 1pc2 h TYR 93 N 1.01 0.35 0.24 1.91 -1.99 -1.38 -2.86 116.97 114.25 1pc2 h TYR 93 Ca 0.19 -0.21 -0.33 0.00 2.00 0.00 0.00 58.73 60.37 1pc2 h TYR 93 Cb 0.50 -0.03 0.04 0.00 2.00 0.00 0.00 36.73 39.23 1pc2 h TYR 93 CO 0.04 1.07 -1.45 -0.24 -0.00 0.00 0.00 178.16 177.57 1pc2 h VAL 94 N 0.11 1.30 -0.29 -2.88 3.04 -1.02 -2.24 116.25 114.27 1pc2 h VAL 94 Ca -0.06 -2.72 -0.01 0.00 -1.01 0.00 0.00 66.70 62.90 1pc2 h VAL 94 Cb 1.64 3.02 -0.01 0.00 -2.01 0.00 0.00 31.29 33.93 1pc2 h VAL 94 CO 0.15 0.81 0.16 0.03 -1.01 0.00 0.00 177.57 177.72 1pc2 h ARG 95 N 0.15 0.40 0.00 4.17 3.08 0.19 -2.08 114.38 120.29 1pc2 h ARG 95 Ca -0.24 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.69 1pc2 h ARG 95 Cb 2.15 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 32.11 1pc2 h ARG 95 CO 0.27 0.34 -0.34 0.78 -1.07 0.00 0.00 179.97 179.95 1pc2 h GLY 96 N 0.35 0.00 1.41 0.04 0.00 -1.60 -2.65 103.07 100.62 1pc2 h GLY 96 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1pc2 h GLY 96 CO -0.02 0.00 0.26 -2.00 0.00 0.00 0.00 176.54 174.78 1pc2 h LEU 97 N 0.00 0.69 -0.18 3.11 5.85 -0.74 -2.18 115.31 121.87 1pc2 h LEU 97 Ca -0.00 -0.07 -0.22 0.00 0.84 0.00 0.00 57.88 58.43 1pc2 h LEU 97 Cb 0.69 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1pc2 h LEU 97 CO 0.04 0.60 -0.93 -0.07 -0.34 0.00 0.00 178.44 177.74 1pc2 h LEU 98 N 0.77 0.53 -1.99 2.25 3.38 -1.14 0.05 115.31 119.16 1pc2 h LEU 98 Ca 0.19 -0.42 0.16 0.00 0.09 0.00 0.00 57.88 57.90 1pc2 h LEU 98 Cb 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1pc2 h LEU 98 CO -0.03 1.22 0.48 -0.61 0.09 0.00 0.00 178.44 179.59 1pc2 h GLN 99 N 0.23 0.00 0.05 1.13 4.15 -1.22 0.26 115.11 119.71 1pc2 h GLN 99 Ca -0.08 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.01 1pc2 h GLN 99 Cb 1.57 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.22 1pc2 h GLN 99 CO 0.16 0.00 -1.82 0.25 -1.93 0.00 0.00 178.83 175.49 1pc2 n THR 100 N -4.02 1.63 -3.52 2.39 -2.24 -1.08 -4.71 114.28 102.74 1pc2 n THR 100 Ca 0.11 -0.38 -0.27 0.00 -2.27 0.00 0.00 64.05 61.24 1pc2 n THR 100 Cb 0.70 -1.84 -0.10 0.00 -2.10 0.00 0.00 70.33 66.99 1pc2 n THR 100 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pc2 n GLU 101 N -3.91 1.12 0.29 -0.78 -0.58 -0.02 -4.92 120.64 111.84 1pc2 n GLU 101 Ca -0.36 -3.80 0.18 0.00 -0.42 0.00 0.00 57.16 52.75 1pc2 n GLU 101 Cb 0.88 -1.87 0.86 0.00 -0.57 0.00 0.00 31.44 30.75 1pc2 n GLU 101 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1pc2 h PRO 102 N 5.06 0.00 -0.01 3.49 0.14 -0.79 -1.25 132.00 138.64 1pc2 h PRO 102 Ca 0.19 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.33 1pc2 h PRO 102 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.96 1pc2 h PRO 102 CO 0.56 0.04 -0.03 1.04 0.14 0.00 0.00 178.00 179.75 1pc2 n GLN 103 N -3.23 1.12 -2.14 0.86 6.02 -1.26 -4.74 117.38 114.01 1pc2 n GLN 103 Ca -0.01 -0.37 -0.39 0.00 -0.01 0.00 0.00 57.00 56.22 1pc2 n GLN 103 Cb 0.22 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 1pc2 n GLN 103 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1pc2 s ASN 104 N -2.13 5.45 0.22 1.08 3.84 -0.47 -4.82 114.94 118.11 1pc2 s ASN 104 Ca 0.40 0.17 -0.04 0.00 0.21 0.00 0.00 52.86 53.59 1pc2 s ASN 104 Cb 0.21 -2.54 0.21 0.00 -0.55 0.00 0.00 41.25 38.59 1pc2 s ASN 104 CO 0.39 -2.27 1.65 0.78 -2.79 0.00 0.00 177.10 174.85 1pc2 h ASN 105 N 13.93 0.77 -0.52 -4.21 2.35 -1.88 -2.65 115.58 123.37 1pc2 h ASN 105 Ca -0.26 -0.27 0.06 0.00 -0.55 0.00 0.00 56.30 55.28 1pc2 h ASN 105 Cb 1.14 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 39.25 1pc2 h ASN 105 CO 1.23 0.96 0.24 -0.61 -1.65 0.00 0.00 177.43 177.60 1pc2 h GLN 106 N 0.68 0.44 -0.48 0.81 4.15 -1.99 -0.99 115.11 117.73 1pc2 h GLN 106 Ca 0.10 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 1pc2 h GLN 106 Cb 0.69 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 1pc2 h GLN 106 CO 0.05 0.29 0.05 0.00 -1.93 0.00 0.00 178.83 177.30 1pc2 h ALA 107 N 1.31 1.19 -0.52 3.38 0.00 -1.91 -2.22 119.26 120.49 1pc2 h ALA 107 Ca 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pc2 h ALA 107 Cb 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1pc2 h ALA 107 CO -0.20 0.54 0.33 0.87 0.00 0.00 0.00 179.25 180.78 1pc2 h LYS 108 N 0.72 0.70 0.13 0.00 1.57 -0.85 -2.03 116.57 116.80 1pc2 h LYS 108 Ca 0.15 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1pc2 h LYS 108 Cb 0.37 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1pc2 h LYS 108 CO 0.01 0.48 -0.06 0.93 -0.57 0.00 0.00 179.45 180.24 1pc2 h GLU 109 N 0.71 -0.16 -0.90 3.15 5.08 -0.74 -2.31 114.58 119.40 1pc2 h GLU 109 Ca 0.19 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.70 1pc2 h GLU 109 Cb -0.05 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 1pc2 h GLU 109 CO -0.04 0.11 0.58 1.25 -1.00 0.00 0.00 179.01 179.91 1pc2 h LEU 110 N -0.43 0.69 -1.23 1.33 5.85 -1.30 0.36 115.31 120.59 1pc2 h LEU 110 Ca -0.02 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1pc2 h LEU 110 Cb 0.34 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1pc2 h LEU 110 CO 0.03 0.35 0.14 -0.08 -0.34 0.00 0.00 178.44 178.54 1pc2 h GLU 111 N 0.73 0.67 -0.03 1.25 4.22 -1.07 -0.04 114.58 120.32 1pc2 h GLU 111 Ca 0.45 -0.11 -0.03 0.00 0.08 0.00 0.00 59.36 59.75 1pc2 h GLU 111 Cb 0.68 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1pc2 h GLU 111 CO -0.21 0.59 -0.10 0.00 -2.18 0.00 0.00 179.01 177.11 1pc2 h ARG 112 N 0.66 0.12 -0.23 1.92 3.08 0.18 0.25 114.38 120.36 1pc2 h ARG 112 Ca 0.15 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.15 1pc2 h ARG 112 Cb 0.21 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1pc2 h ARG 112 CO -0.01 0.71 0.05 -0.07 -1.07 0.00 0.00 179.97 179.59 1pc2 h LEU 113 N -0.45 0.02 -0.64 3.04 3.38 -0.82 2.22 115.31 122.06 1pc2 h LEU 113 Ca -0.00 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1pc2 h LEU 113 Cb 0.72 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1pc2 h LEU 113 CO 0.02 0.04 -0.14 0.40 0.09 0.00 0.00 178.44 178.86 1pc2 h ILE 114 N 0.14 1.27 -0.02 1.22 2.04 -1.04 -1.95 117.51 119.16 1pc2 h ILE 114 Ca 0.10 -1.27 -0.14 0.00 1.00 0.00 0.00 64.86 64.55 1pc2 h ILE 114 Cb 0.10 1.03 0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1pc2 h ILE 114 CO -0.13 0.44 -0.53 -0.78 0.00 0.00 0.00 178.15 177.14 1pc2 h ASP 115 N 0.82 0.51 -0.00 1.72 3.58 0.15 -2.31 116.42 120.90 1pc2 h ASP 115 Ca 0.13 -0.73 0.02 0.00 0.42 0.00 0.00 57.03 56.86 1pc2 h ASP 115 Cb 0.68 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 1pc2 h ASP 115 CO 0.05 1.17 -0.14 0.50 -2.88 0.00 0.00 179.24 177.94 1pc2 h LYS 116 N -0.11 -0.23 -0.25 0.28 3.64 0.37 -1.12 116.57 119.15 1pc2 h LYS 116 Ca -0.06 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1pc2 h LYS 116 Cb 1.24 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1pc2 h LYS 116 CO 0.11 -0.15 0.05 0.00 -2.27 0.00 0.00 179.45 177.19 1pc2 h ALA 117 N 0.71 0.26 -0.88 5.00 0.00 -1.44 0.18 119.26 123.09 1pc2 h ALA 117 Ca 0.05 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.21 1pc2 h ALA 117 Cb 0.30 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.02 1pc2 h ALA 117 CO -0.14 -0.36 0.38 1.98 0.00 0.00 0.00 179.25 181.10 1pc2 h MET 118 N 0.15 0.39 0.00 0.00 1.85 -0.74 0.77 114.93 117.35 1pc2 h MET 118 Ca 0.11 -0.02 -0.16 0.00 -0.61 0.00 0.00 59.70 59.01 1pc2 h MET 118 Cb 0.11 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.02 1pc2 h MET 118 CO -0.14 0.26 -0.87 0.87 -0.40 0.00 0.00 176.91 176.63 1pc2 h LYS 119 N 0.41 0.00 0.00 0.39 1.57 -0.44 -3.21 116.57 115.29 1pc2 h LYS 119 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1pc2 h LYS 119 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1pc2 h LYS 119 CO -0.51 0.66 -0.09 1.17 -0.57 0.00 0.00 179.45 180.11 1pc2 n LYS 120 N -3.22 0.13 0.00 3.15 4.81 0.59 -3.41 118.16 120.21 1pc2 n LYS 120 Ca -0.01 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1pc2 n LYS 120 Cb 0.84 -1.64 0.02 0.00 0.02 0.00 0.00 35.03 34.28 1pc2 n LYS 120 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1pc2 n ASP 121 N -1.85 0.00 0.00 3.14 5.75 0.24 -4.80 116.55 119.02 1pc2 n ASP 121 Ca 0.06 -0.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.99 1pc2 n ASP 121 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1pc2 n ASP 121 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pc2 n GLY 122 N -0.07 2.08 3.35 6.12 0.00 -1.22 -4.99 105.19 110.46 1pc2 n GLY 122 Ca 0.01 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1pc2 n GLY 122 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pc2 n LEU 123 N 0.00 -1.04 -1.19 0.99 4.32 -1.26 -3.83 117.00 115.00 1pc2 n LEU 123 Ca 0.00 0.37 0.13 0.00 -0.02 0.00 0.00 56.01 56.49 1pc2 n LEU 123 Cb 0.00 -1.13 -0.05 0.00 -1.62 0.00 0.00 43.42 40.62 1pc2 n LEU 123 CO 0.00 -3.95 -0.37 0.52 -1.22 0.00 0.00 177.39 172.37 1pc2 n VAL 124 N -3.09 -0.19 0.00 4.08 0.31 -1.26 -4.46 118.33 113.72 1pc2 n VAL 124 Ca 0.06 0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.83 1pc2 n VAL 124 Cb 0.53 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 1pc2 n VAL 124 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pc2 n GLY 125 N -3.74 0.46 7.00 2.92 0.00 -1.26 -4.88 105.19 105.68 1pc2 n GLY 125 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1pc2 n GLY 125 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pc2 n MET 126 N 0.00 0.00 -1.71 1.61 0.00 -1.25 -4.44 117.12 111.33 1pc2 n MET 126 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 1pc2 n MET 126 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 1pc2 n MET 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pc2 n ALA 127 N 1.33 2.58 -2.77 3.04 0.00 -1.26 -4.98 120.51 118.46 1pc2 n ALA 127 Ca 0.00 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.52 1pc2 n ALA 127 Cb 0.00 -2.51 -0.07 0.00 0.00 0.00 0.00 19.45 16.87 1pc2 n ALA 127 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pc2 s ILE 128 N 1.36 4.55 0.00 0.00 -1.09 -1.26 -4.98 121.20 119.78 1pc2 s ILE 128 Ca 0.77 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 1pc2 s ILE 128 Cb -0.52 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1pc2 s ILE 128 CO 0.34 0.19 0.00 0.52 -1.23 0.00 0.00 174.94 174.75 1pc2 n VAL 129 N 0.66 0.00 -2.78 2.92 0.31 -1.26 -5.03 118.33 113.14 1pc2 n VAL 129 Ca -0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.21 1pc2 n VAL 129 Cb 0.52 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.46 1pc2 n VAL 129 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1pc2 s GLY 130 N -0.39 -1.56 0.30 2.92 0.00 -1.26 -5.13 107.32 102.20 1pc2 s GLY 130 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 44.72 44.95 1pc2 s GLY 130 CO 0.00 4.01 0.32 0.61 0.00 0.00 0.00 173.10 178.03 1pc2 n GLY 131 N 3.08 -2.02 0.18 0.20 0.00 -1.26 -4.92 105.19 100.45 1pc2 n GLY 131 Ca 0.13 -1.55 0.03 0.00 0.00 0.00 0.00 46.02 44.63 1pc2 n GLY 131 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1pc2 h MET 132 N 0.00 0.00 -7.10 1.61 2.86 -2.08 -3.44 114.93 106.79 1pc2 h MET 132 Ca -0.11 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.04 1pc2 h MET 132 Cb 0.33 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.05 1pc2 h MET 132 CO 0.08 0.42 0.41 0.00 1.06 0.00 0.00 176.91 178.88 1pc2 s ALA 133 N -3.88 2.73 1.01 6.32 0.00 -1.26 -5.01 121.76 121.67 1pc2 s ALA 133 Ca -0.02 0.69 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 1pc2 s ALA 133 Cb 0.13 -3.31 0.20 0.00 0.00 0.00 0.00 23.12 20.13 1pc2 s ALA 133 CO 0.72 -0.68 1.09 -0.51 0.00 0.00 0.00 175.76 176.38 1pc2 s LEU 134 N -3.87 1.53 0.07 0.00 1.43 -1.26 -4.93 118.68 111.64 1pc2 s LEU 134 Ca 0.70 1.14 -0.31 0.00 -1.03 0.00 0.00 54.13 54.63 1pc2 s LEU 134 Cb -0.20 -3.30 -0.07 0.00 0.03 0.00 0.00 46.19 42.64 1pc2 s LEU 134 CO 0.27 -3.19 1.43 -0.83 0.23 0.00 0.00 176.35 174.26 1pc2 s GLY 135 N -3.48 1.88 0.15 -3.19 0.00 -1.26 -4.86 107.32 96.56 1pc2 s GLY 135 Ca 0.66 1.04 0.20 0.00 0.00 0.00 0.00 44.72 46.62 1pc2 s GLY 135 CO 0.58 2.48 1.61 -0.62 0.00 0.00 0.00 173.10 177.14 1pc2 n VAL 136 N 4.31 0.90 0.00 1.40 0.31 -1.26 -4.83 118.33 119.16 1pc2 n VAL 136 Ca 0.13 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1pc2 n VAL 136 Cb 0.43 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 1pc2 n VAL 136 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pc2 n ALA 137 N -1.66 0.00 0.00 3.52 0.00 -1.26 -5.04 120.51 116.07 1pc2 n ALA 137 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1pc2 n ALA 137 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1pc2 n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pc2 n GLY 138 N 0.00 1.15 3.28 0.00 0.00 -1.26 -4.72 105.19 103.64 1pc2 n GLY 138 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1pc2 n GLY 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pc2 n LEU 139 N 0.00 -5.19 0.12 0.99 4.77 -1.26 -4.94 117.00 111.50 1pc2 n LEU 139 Ca 0.00 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1pc2 n LEU 139 Cb 0.00 -2.69 0.00 0.00 -2.33 0.00 0.00 43.42 38.40 1pc2 n LEU 139 CO 0.00 -0.80 0.00 0.00 -1.33 0.00 0.00 177.39 175.26 1pc2 n ALA 140 N -1.61 2.88 -2.78 -1.18 0.00 -1.26 -5.09 120.51 111.47 1pc2 n ALA 140 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.38 1pc2 n ALA 140 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.02 1pc2 n ALA 140 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1pc2 s GLY 141 N -4.88 -1.54 -0.11 0.00 0.00 -1.26 -5.03 107.32 94.50 1pc2 s GLY 141 Ca 0.00 1.24 0.04 0.00 0.00 0.00 0.00 44.72 46.01 1pc2 s GLY 141 CO 0.00 4.29 0.98 1.47 0.00 0.00 0.00 173.10 179.83 1pc2 n LEU 142 N 3.71 -0.89 0.00 0.66 -0.00 -1.26 -4.94 117.00 114.28 1pc2 n LEU 142 Ca 0.06 -1.99 0.00 0.00 -0.00 0.00 0.00 56.01 54.08 1pc2 n LEU 142 Cb 0.63 0.14 0.00 0.00 -0.00 0.00 0.00 43.42 44.20 1pc2 n LEU 142 CO -0.11 1.37 0.00 0.00 -0.00 0.00 0.00 177.39 178.65 1pc2 n ILE 143 N -0.51 0.00 -3.63 1.47 3.06 -1.26 -5.11 119.36 113.38 1pc2 n ILE 143 Ca -0.17 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 59.95 1pc2 n ILE 143 Cb 0.67 0.42 -0.07 0.00 0.54 0.00 0.00 39.64 41.20 1pc2 n ILE 143 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1pc2 s GLY 144 N 0.00 -0.46 -0.92 4.50 0.00 -1.26 -5.08 107.32 104.10 1pc2 s GLY 144 Ca 0.00 2.18 -0.24 0.00 0.00 0.00 0.00 44.72 46.66 1pc2 s GLY 144 CO 0.00 1.79 1.70 1.08 0.00 0.00 0.00 173.10 177.67 1pc2 s LEU 145 N 0.38 3.31 0.43 0.66 1.43 -1.26 -4.76 118.68 118.87 1pc2 s LEU 145 Ca 0.00 -0.91 0.30 0.00 -1.03 0.00 0.00 54.13 52.49 1pc2 s LEU 145 Cb -0.05 -2.56 1.39 0.00 0.03 0.00 0.00 46.19 45.00 1pc2 s LEU 145 CO -0.01 -2.17 1.90 1.05 0.23 0.00 0.00 176.35 177.35 1pc2 h GLU 146 N 10.85 0.00 -3.12 1.70 4.11 -1.99 -3.45 114.58 122.68 1pc2 h GLU 146 Ca 0.10 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.57 1pc2 h GLU 146 Cb 1.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 1pc2 h GLU 146 CO 1.30 0.00 0.17 -1.01 0.07 0.00 0.00 179.01 179.55 1pc2 s HIS 147 N -3.61 -0.07 0.49 2.06 3.76 -1.26 -5.14 115.29 111.52 1pc2 s HIS 147 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1pc2 s HIS 147 Cb 0.09 0.63 0.00 0.00 1.11 0.00 0.00 32.58 34.41 1pc2 s HIS 147 CO 0.41 -1.22 0.00 0.72 -0.85 0.00 0.00 174.74 173.80 1pc2 n HIS 148 N -0.45 -3.32 -2.92 1.40 8.25 -1.26 -4.98 115.22 111.94 1pc2 n HIS 148 Ca -0.04 1.80 0.03 0.00 -0.26 0.00 0.00 57.72 59.25 1pc2 n HIS 148 Cb 0.60 -3.02 0.00 0.00 1.12 0.00 0.00 29.99 28.69 1pc2 n HIS 148 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1pc2 s HIS 149 N -3.95 -0.60 -0.70 4.41 -3.43 -1.26 -4.95 115.29 104.82 1pc2 s HIS 149 Ca 0.00 0.16 -0.14 0.00 -0.80 0.00 0.00 55.06 54.29 1pc2 s HIS 149 Cb 0.00 0.11 -0.11 0.00 -1.43 0.00 0.00 32.58 31.14 1pc2 s HIS 149 CO 0.00 -0.39 1.88 1.58 -2.00 0.00 0.00 174.74 175.82 1pc2 n HIS 150 N 4.16 1.34 -2.86 0.38 -0.00 -1.26 -4.54 115.22 112.43 1pc2 n HIS 150 Ca 0.07 -1.65 -0.02 0.00 -0.00 0.00 0.00 57.72 56.13 1pc2 n HIS 150 Cb 0.61 -1.51 -0.01 0.00 -0.00 0.00 0.00 29.99 29.08 1pc2 n HIS 150 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1pc2 n HIS 151 N 5.96 -2.47 -0.94 1.57 -0.00 -1.26 -5.33 115.22 112.75 1pc2 n HIS 151 Ca 0.42 1.28 0.00 0.00 -0.00 0.00 0.00 57.72 59.42 1pc2 n HIS 151 Cb 0.25 -2.73 0.00 0.00 -0.00 0.00 0.00 29.99 27.51 1pc2 n HIS 151 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92