#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpi s SER 2 N 0.00 -0.47 0.16 6.12 1.04 -1.26 -5.11 113.70 114.18 1wpi s SER 2 Ca 0.00 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1wpi s SER 2 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1wpi s SER 2 CO 0.00 -0.58 0.00 0.49 0.98 0.00 0.00 173.24 174.13 1wpi n PHE 3 N 0.31 -4.80 -0.03 5.02 3.72 -1.26 -4.71 117.46 115.71 1wpi n PHE 3 Ca -0.13 2.88 -0.16 0.00 -0.05 0.00 0.00 57.45 60.00 1wpi n PHE 3 Cb 0.60 -3.58 -0.08 0.00 -0.94 0.00 0.00 39.48 35.47 1wpi n PHE 3 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 1wpi h TRP 4 N 4.40 0.67 -0.05 1.38 -0.00 -1.99 -3.27 115.95 117.08 1wpi h TRP 4 Ca 0.00 -0.29 -0.02 0.00 -0.00 0.00 0.00 58.89 58.58 1wpi h TRP 4 Cb 0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 29.16 29.05 1wpi h TRP 4 CO 0.00 1.06 -0.07 0.87 -0.00 0.00 0.00 178.44 180.30 1wpi h LYS 5 N 0.08 0.13 -3.01 0.49 1.79 -1.89 -3.48 116.57 110.68 1wpi h LYS 5 Ca -0.03 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1wpi h LYS 5 Cb 1.11 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1wpi h LYS 5 CO 0.10 0.62 -0.27 -2.37 -1.08 0.00 0.00 179.45 176.45 1wpi n THR 6 N -4.72 -0.69 -3.74 -0.16 5.66 -1.24 -4.96 114.28 104.43 1wpi n THR 6 Ca -0.08 0.13 -0.13 0.00 -3.05 0.00 0.00 64.05 60.93 1wpi n THR 6 Cb 0.31 -1.19 -0.11 0.00 -1.55 0.00 0.00 70.33 67.80 1wpi n THR 6 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1wpi s LEU 7 N -0.27 0.47 -0.21 1.09 2.34 -1.26 -5.11 118.68 115.74 1wpi s LEU 7 Ca 0.00 0.74 -0.37 0.00 0.06 0.00 0.00 54.13 54.57 1wpi s LEU 7 Cb 0.00 1.23 -0.13 0.00 -0.56 0.00 0.00 46.19 46.72 1wpi s LEU 7 CO 0.00 -0.14 1.87 1.67 -1.06 0.00 0.00 176.35 178.69 1wpi n GLN 8 N 3.22 1.61 -2.00 1.48 -0.06 -1.26 -4.22 117.38 116.16 1wpi n GLN 8 Ca -0.16 0.57 0.00 0.00 -2.00 0.00 0.00 57.00 55.42 1wpi n GLN 8 Cb 0.57 -2.40 0.00 0.00 -4.06 0.00 0.00 30.24 24.35 1wpi n GLN 8 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1wpi n ARG 9 N 6.36 -5.51 -3.02 3.69 5.12 -1.26 -4.90 116.66 117.14 1wpi n ARG 9 Ca 0.27 3.93 -0.40 0.00 -1.93 0.00 0.00 57.85 59.72 1wpi n ARG 9 Cb 0.22 -4.27 -0.05 0.00 -1.16 0.00 0.00 32.46 27.20 1wpi n ARG 9 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1wpi s GLN 10 N -1.28 4.45 0.51 5.56 -2.07 -1.26 -5.05 119.66 120.52 1wpi s GLN 10 Ca 0.00 0.94 -0.19 0.00 -1.82 0.00 0.00 55.36 54.29 1wpi s GLN 10 Cb 0.00 -3.43 -0.07 0.00 -1.09 0.00 0.00 33.01 28.42 1wpi s GLN 10 CO 0.00 0.11 1.04 -1.25 -1.32 0.00 0.00 175.29 173.87 1wpi s PRO 11 N 0.62 3.71 -0.01 9.60 0.04 -1.26 -4.87 135.00 142.82 1wpi s PRO 11 Ca 0.38 1.32 -0.01 0.00 0.04 0.00 0.00 61.00 62.73 1wpi s PRO 11 Cb -0.18 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 1wpi s PRO 11 CO 0.20 -0.50 -0.03 0.54 0.04 0.00 0.00 177.00 177.24 1wpi n ARG 12 N -1.20 0.05 -3.68 4.56 1.74 -1.26 -4.98 116.66 111.89 1wpi n ARG 12 Ca 0.09 0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.81 1wpi n ARG 12 Cb 0.53 -0.58 -0.12 0.00 -1.02 0.00 0.00 32.46 31.26 1wpi n ARG 12 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1wpi s THR 13 N -2.05 4.36 -0.35 0.55 2.01 -1.26 -4.15 115.64 114.75 1wpi s THR 13 Ca -0.03 -0.65 -0.13 0.00 0.31 0.00 0.00 61.69 61.19 1wpi s THR 13 Cb 0.01 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1wpi s THR 13 CO 0.04 -0.01 0.25 -0.63 -0.69 0.00 0.00 174.62 173.58 1wpi s ILE 14 N 1.55 5.27 -0.48 1.82 -1.09 -1.21 -4.04 121.20 123.03 1wpi s ILE 14 Ca 0.03 -0.28 -0.16 0.00 -2.23 0.00 0.00 60.65 58.01 1wpi s ILE 14 Cb -0.18 -3.74 0.07 0.00 -1.58 0.00 0.00 42.46 37.03 1wpi s ILE 14 CO 0.05 -0.05 0.43 -0.55 -1.23 0.00 0.00 174.94 173.59 1wpi s SER 15 N 1.72 6.16 0.06 3.58 0.15 0.40 -2.12 113.70 123.65 1wpi s SER 15 Ca 0.06 -1.26 0.06 0.00 0.70 0.00 0.00 55.95 55.51 1wpi s SER 15 Cb -0.18 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 1wpi s SER 15 CO 0.10 -0.68 -0.10 -0.76 1.20 0.00 0.00 173.24 173.00 1wpi s LEU 16 N 1.80 3.03 0.15 3.45 2.01 -0.67 0.13 118.68 128.58 1wpi s LEU 16 Ca 0.06 -0.30 0.10 0.00 0.01 0.00 0.00 54.13 53.99 1wpi s LEU 16 Cb -0.23 -1.79 -0.04 0.00 0.01 0.00 0.00 46.19 44.13 1wpi s LEU 16 CO 0.08 0.23 -0.23 -0.36 1.01 0.00 0.00 176.35 177.07 1wpi s PHE 17 N -1.10 2.09 -0.11 0.29 0.08 0.66 -2.80 117.98 117.10 1wpi s PHE 17 Ca 0.19 -0.40 -0.06 0.00 0.12 0.00 0.00 56.93 56.78 1wpi s PHE 17 Cb -0.11 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 41.21 1wpi s PHE 17 CO 0.10 0.35 0.13 0.99 -0.10 0.00 0.00 175.22 176.69 1wpi s THR 18 N -1.45 5.37 -0.37 0.64 2.01 -0.17 -2.19 115.64 119.48 1wpi s THR 18 Ca 0.15 0.14 0.11 0.00 0.31 0.00 0.00 61.69 62.40 1wpi s THR 18 Cb -0.09 -3.34 0.34 0.00 0.01 0.00 0.00 72.50 69.42 1wpi s THR 18 CO 0.07 0.61 0.71 -3.20 -0.69 0.00 0.00 174.62 172.11 1wpi n ASN 19 N 1.95 0.66 -1.04 3.53 5.15 -1.23 -4.10 115.26 120.19 1wpi n ASN 19 Ca -0.19 -2.98 0.10 0.00 -0.60 0.00 0.00 54.58 50.90 1wpi n ASN 19 Cb 0.55 -0.56 -0.05 0.00 -0.53 0.00 0.00 39.78 39.18 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1wpi n ASP 20 N 0.44 -4.41 0.00 1.20 -0.08 -1.26 -2.95 116.55 109.49 1wpi n ASP 20 Ca 0.24 0.82 0.00 0.00 -1.51 0.00 0.00 54.79 54.34 1wpi n ASP 20 Cb 0.64 -3.47 0.00 0.00 2.34 0.00 0.00 41.12 40.63 1wpi n ASP 20 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1wpi n ILE 21 N -3.75 0.00 0.00 5.18 5.41 -1.26 -2.77 119.36 122.16 1wpi n ILE 21 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1wpi n ILE 21 Cb 0.39 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.32 1wpi n ILE 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wpi n ALA 22 N -1.39 0.00 -0.37 -1.39 0.00 -1.26 -4.74 120.51 111.36 1wpi n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wpi n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wpi n ALA 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wpi n SER 23 N 0.00 0.00 -4.34 0.00 2.88 -1.26 -3.08 113.62 107.82 1wpi n SER 23 Ca 0.00 0.49 -0.46 0.00 -1.33 0.00 0.00 58.87 57.58 1wpi n SER 23 Cb 0.00 -0.16 -0.04 0.00 -0.75 0.00 0.00 64.21 63.26 1wpi n SER 23 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1wpi s ASN 24 N -2.48 6.31 0.33 -3.46 -0.87 -1.26 -4.89 114.94 108.62 1wpi s ASN 24 Ca 0.00 -1.88 0.03 0.00 -1.57 0.00 0.00 52.86 49.44 1wpi s ASN 24 Cb 0.00 -2.24 0.64 0.00 -0.02 0.00 0.00 41.25 39.63 1wpi s ASN 24 CO 0.00 -0.88 1.93 0.40 -2.57 0.00 0.00 177.10 175.98 1wpi h ILE 25 N 5.69 1.03 0.00 0.60 5.03 -1.92 2.55 117.51 130.49 1wpi h ILE 25 Ca -0.20 -0.31 -0.01 0.00 -0.12 0.00 0.00 64.86 64.23 1wpi h ILE 25 Cb 1.08 0.07 -0.00 0.00 -3.03 0.00 0.00 36.82 34.94 1wpi h ILE 25 CO 1.00 0.16 -0.03 0.07 -0.68 0.00 0.00 178.15 178.67 1wpi h LYS 26 N 0.89 0.00 0.45 2.37 -0.00 -1.91 -3.09 116.57 115.28 1wpi h LYS 26 Ca 0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.99 1wpi h LYS 26 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.49 1wpi h LYS 26 CO -0.13 0.76 -0.22 0.66 -0.00 0.00 0.00 179.45 180.52 1wpi h SER 27 N -1.00 -0.51 -1.60 7.07 4.64 -1.89 -2.74 113.55 117.52 1wpi h SER 27 Ca -0.01 0.02 0.49 0.00 -0.47 0.00 0.00 61.79 61.82 1wpi h SER 27 Cb 0.77 0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 62.90 1wpi h SER 27 CO -0.01 -0.33 1.11 -0.61 -0.87 0.00 0.00 176.83 176.13 1wpi h GLN 28 N -0.68 0.03 0.00 4.77 4.15 0.42 1.24 115.11 125.04 1wpi h GLN 28 Ca -0.06 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1wpi h GLN 28 Cb 0.46 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1wpi h GLN 28 CO 0.10 0.02 0.00 1.17 -1.93 0.00 0.00 178.83 178.19 1wpi n LYS 29 N -4.29 0.00 -0.12 1.69 4.81 -1.04 -3.33 118.16 115.88 1wpi n LYS 29 Ca 0.39 0.18 -0.25 0.00 -0.87 0.00 0.00 58.31 57.77 1wpi n LYS 29 Cb 1.68 -0.96 -0.10 0.00 0.02 0.00 0.00 35.03 35.67 1wpi n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wpi n LEU 31 N -4.34 0.11 -0.06 0.00 7.99 0.41 0.25 117.00 121.36 1wpi n LEU 31 Ca -0.43 0.99 -0.14 0.00 -0.01 0.00 0.00 56.01 56.43 1wpi n LEU 31 Cb 0.77 -0.49 -0.12 0.00 -0.11 0.00 0.00 43.42 43.47 1wpi n LEU 31 CO 0.09 -1.05 0.41 1.56 -1.51 0.00 0.00 177.39 176.88 1wpi h GLN 32 N 0.00 -0.00 -0.79 3.23 1.08 -1.13 -0.44 115.11 117.06 1wpi h GLN 32 Ca 0.72 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 58.05 1wpi h GLN 32 Cb 2.55 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 29.89 1wpi h GLN 32 CO -0.24 0.93 0.39 1.25 -0.95 0.00 0.00 178.83 180.20 1wpi h LEU 33 N -0.95 0.46 0.00 1.46 5.85 0.32 0.68 115.31 123.13 1wpi h LEU 33 Ca -0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1wpi h LEU 33 Cb 0.93 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1wpi h LEU 33 CO 0.00 0.21 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.21 1wpi h LEU 34 N 0.59 0.00 0.00 2.25 4.07 -0.33 -3.16 115.31 118.72 1wpi h LEU 34 Ca 0.42 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.37 1wpi h LEU 34 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1wpi h LEU 34 CO -0.34 0.00 0.07 1.17 -1.08 0.00 0.00 178.44 178.26 1wpi n LYS 35 N -2.41 0.00 -0.02 1.13 4.81 0.24 -2.36 118.16 119.54 1wpi n LYS 35 Ca 0.05 0.39 -0.01 0.00 -0.87 0.00 0.00 58.31 57.87 1wpi n LYS 35 Cb 0.45 -1.57 -0.00 0.00 0.02 0.00 0.00 35.03 33.93 1wpi n LYS 35 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1wpi h GLY 36 N 0.00 0.00 -6.95 3.14 0.00 -1.56 -3.47 103.07 94.23 1wpi h GLY 36 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1wpi h GLY 36 CO 0.00 0.00 -0.77 0.99 0.00 0.00 0.00 176.54 176.76 1wpi s ASP 37 N -3.95 3.32 0.23 0.19 1.01 -1.00 -5.12 116.67 111.36 1wpi s ASP 37 Ca -0.03 -1.17 -0.03 0.00 0.71 0.00 0.00 52.55 52.04 1wpi s ASP 37 Cb 0.00 -0.44 -0.03 0.00 1.01 0.00 0.00 42.92 43.47 1wpi s ASP 37 CO 0.04 -0.40 0.24 0.54 0.21 0.00 0.00 175.17 175.80 1wpi s VAL 38 N 2.00 0.00 0.00 -1.27 0.11 -1.19 -3.98 120.40 116.07 1wpi s VAL 38 Ca 0.07 -1.84 0.00 0.00 -2.93 0.00 0.00 61.98 57.27 1wpi s VAL 38 Cb -0.16 -2.44 0.00 0.00 -1.53 0.00 0.00 36.38 32.24 1wpi s VAL 38 CO -0.27 0.00 0.00 -0.24 -3.33 0.00 0.00 175.10 171.26 1wpi n SER 39 N -0.48 0.00 -3.80 3.54 2.88 -1.26 -5.06 113.62 109.45 1wpi n SER 39 Ca 0.02 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.42 1wpi n SER 39 Cb 0.64 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.96 1wpi n SER 39 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1wpi s HIS 40 N 0.00 -0.07 0.00 0.66 2.46 -1.26 -4.92 115.29 112.16 1wpi s HIS 40 Ca 0.00 0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.78 1wpi s HIS 40 Cb 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 32.58 32.37 1wpi s HIS 40 CO 0.00 -0.09 0.00 -2.13 -2.47 0.00 0.00 174.74 170.05 1wpi n ARG 41 N 3.71 0.00 -3.82 2.88 3.00 -1.26 -5.03 116.66 116.14 1wpi n ARG 41 Ca -0.21 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.55 1wpi n ARG 41 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.97 1wpi n ARG 41 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 1wpi s PHE 42 N 0.00 -0.01 -0.29 -0.14 -0.71 -1.26 -4.86 117.98 110.70 1wpi s PHE 42 Ca 0.00 -0.35 -0.10 0.00 -1.04 0.00 0.00 56.93 55.43 1wpi s PHE 42 Cb 0.00 0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 42.17 1wpi s PHE 42 CO 0.00 -0.98 0.17 -0.51 -1.34 0.00 0.00 175.22 172.56 1wpi s ASP 43 N -2.91 5.74 -0.22 1.98 1.01 -1.26 -5.04 116.67 115.97 1wpi s ASP 43 Ca 0.13 -0.26 -0.10 0.00 0.71 0.00 0.00 52.55 53.03 1wpi s ASP 43 Cb -0.02 -2.06 -0.05 0.00 1.01 0.00 0.00 42.92 41.81 1wpi s ASP 43 CO 0.01 -0.12 0.13 -0.69 0.21 0.00 0.00 175.17 174.71 1wpi s VAL 44 N 1.69 5.23 -0.33 -1.27 1.01 -1.26 -3.30 120.40 122.15 1wpi s VAL 44 Ca 0.06 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 1wpi s VAL 44 Cb -0.16 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1wpi s VAL 44 CO 0.08 0.40 0.14 -1.61 0.00 0.00 0.00 175.10 174.11 1wpi s GLU 45 N 0.73 2.94 -0.38 2.72 8.01 -0.90 -5.02 118.70 126.80 1wpi s GLU 45 Ca 0.07 -0.98 -0.06 0.00 0.01 0.00 0.00 54.97 54.01 1wpi s GLU 45 Cb -0.13 -3.55 0.07 0.00 -4.31 0.00 0.00 34.13 26.22 1wpi s GLU 45 CO 0.02 -0.57 0.17 0.42 0.01 0.00 0.00 175.26 175.30 1wpi s ILE 46 N 1.52 3.70 -0.03 -1.63 1.09 -1.26 -1.66 121.20 122.92 1wpi s ILE 46 Ca 0.02 -1.50 -0.02 0.00 -1.10 0.00 0.00 60.65 58.04 1wpi s ILE 46 Cb -0.18 -3.27 0.01 0.00 -1.06 0.00 0.00 42.46 37.95 1wpi s ILE 46 CO 0.05 -0.42 0.07 0.00 -0.10 0.00 0.00 174.94 174.54 1wpi s ALA 47 N 1.32 -0.17 -0.26 9.38 0.00 -1.12 -5.02 121.76 125.89 1wpi s ALA 47 Ca 0.02 0.20 -0.10 0.00 0.00 0.00 0.00 51.96 52.08 1wpi s ALA 47 Cb -0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1wpi s ALA 47 CO 0.00 -0.04 0.15 0.54 0.00 0.00 0.00 175.76 176.42 1wpi s ASN 48 N 0.07 5.82 0.05 0.00 2.20 -1.26 -0.99 114.94 120.82 1wpi s ASN 48 Ca -0.00 -0.02 -0.27 0.00 -0.94 0.00 0.00 52.86 51.63 1wpi s ASN 48 Cb -0.01 -2.06 0.09 0.00 -2.00 0.00 0.00 41.25 37.27 1wpi s ASN 48 CO -0.00 -0.01 0.76 -0.60 -2.94 0.00 0.00 177.10 174.31 1wpi s ARG 49 N 1.51 1.01 -0.08 3.55 6.06 -1.26 -4.87 118.95 124.87 1wpi s ARG 49 Ca 0.07 -0.29 -0.30 0.00 -2.50 0.00 0.00 55.73 52.71 1wpi s ARG 49 Cb -0.15 0.47 -0.04 0.00 0.06 0.00 0.00 34.95 35.29 1wpi s ARG 49 CO 0.07 -0.43 1.49 -0.59 -2.50 0.00 0.00 175.30 173.35 1wpi s PHE 50 N -3.07 2.38 0.00 5.12 -0.71 -1.24 -4.67 117.98 115.79 1wpi s PHE 50 Ca 0.02 0.55 -0.04 0.00 -1.04 0.00 0.00 56.93 56.41 1wpi s PHE 50 Cb -0.01 -3.75 -0.17 0.00 -1.21 0.00 0.00 43.02 37.88 1wpi s PHE 50 CO -0.08 -2.95 2.65 -0.35 -1.34 0.00 0.00 175.22 173.15 1wpi n PRO 51 N 6.72 1.39 -0.58 1.99 -0.04 -1.26 -4.84 135.00 138.38 1wpi n PRO 51 Ca 0.16 -0.64 -0.29 0.00 -0.04 0.00 0.00 63.50 62.69 1wpi n PRO 51 Cb 0.44 -1.76 0.23 0.00 -0.04 0.00 0.00 33.50 32.36 1wpi n PRO 51 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1wpi s THR 52 N 1.36 2.04 0.53 0.52 -4.23 -1.26 -4.50 115.64 110.10 1wpi s THR 52 Ca 0.43 0.01 0.27 0.00 -1.18 0.00 0.00 61.69 61.22 1wpi s THR 52 Cb 0.20 -2.05 0.32 0.00 1.34 0.00 0.00 72.50 72.31 1wpi s THR 52 CO 0.00 -0.02 2.19 -0.50 -0.54 0.00 0.00 174.62 175.75 1wpi h TRP 53 N -2.43 0.00 -0.09 3.99 -0.00 -1.93 0.63 115.95 116.11 1wpi h TRP 53 Ca -0.56 0.00 0.03 0.00 -0.00 0.00 0.00 58.89 58.36 1wpi h TRP 53 Cb 1.32 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 30.41 1wpi h TRP 53 CO 0.33 0.04 -0.47 -0.44 -0.00 0.00 0.00 178.44 177.90 1wpi h ASP 54 N 0.00 -1.46 0.51 -3.49 3.32 -1.94 2.06 116.42 115.43 1wpi h ASP 54 Ca -0.00 0.18 -0.29 0.00 0.02 0.00 0.00 57.03 56.94 1wpi h ASP 54 Cb 0.10 0.58 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1wpi h ASP 54 CO 0.01 -0.46 -1.55 -0.61 -1.72 0.00 0.00 179.24 174.90 1wpi h GLN 55 N -0.56 0.14 0.00 3.56 5.75 -1.77 -3.28 115.11 118.95 1wpi h GLN 55 Ca 0.05 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.29 1wpi h GLN 55 Cb 0.66 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.30 1wpi h GLN 55 CO -0.39 0.92 -0.11 1.25 -2.65 0.00 0.00 178.83 177.85 1wpi h LEU 56 N 0.04 0.00 -0.96 -2.39 7.12 0.49 -2.71 115.31 116.91 1wpi h LEU 56 Ca -0.24 0.00 0.30 0.00 0.13 0.00 0.00 57.88 58.07 1wpi h LEU 56 Cb 1.98 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 41.94 1wpi h LEU 56 CO 0.13 0.11 0.28 0.06 -0.13 0.00 0.00 178.44 178.89 1wpi h GLN 57 N 0.00 0.11 -0.06 1.25 3.07 0.33 2.69 115.11 122.50 1wpi h GLN 57 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 1wpi h GLN 57 Cb 0.28 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.81 1wpi h GLN 57 CO 0.01 0.07 0.02 1.88 0.09 0.00 0.00 178.83 180.91 1wpi h TYR 58 N 0.11 0.09 0.00 0.06 0.05 -1.72 -2.73 116.97 112.83 1wpi h TYR 58 Ca 0.66 -0.01 -0.11 0.00 0.05 0.00 0.00 58.73 59.32 1wpi h TYR 58 Cb 1.49 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 39.18 1wpi h TYR 58 CO -0.25 0.23 -0.54 0.52 -1.05 0.00 0.00 178.16 177.07 1wpi h MET 59 N -0.08 0.00 -0.51 4.88 2.86 -0.17 -2.89 114.93 119.02 1wpi h MET 59 Ca 0.02 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1wpi h MET 59 Cb 0.18 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1wpi h MET 59 CO -0.00 0.54 0.34 -0.09 1.06 0.00 0.00 176.91 178.75 1wpi h ARG 60 N 0.00 0.54 0.04 1.72 1.12 0.46 -2.34 114.38 115.93 1wpi h ARG 60 Ca -0.01 -0.03 -0.11 0.00 -1.11 0.00 0.00 59.98 58.72 1wpi h ARG 60 Cb 1.04 -0.12 0.01 0.00 -0.01 0.00 0.00 29.97 30.88 1wpi h ARG 60 CO 0.07 0.36 -0.45 1.79 -3.11 0.00 0.00 179.97 178.63 1wpi h THR 61 N 0.56 1.56 -0.22 0.20 1.35 -1.31 -3.28 112.91 111.76 1wpi h THR 61 Ca 0.21 -2.23 -0.16 0.00 -0.55 0.00 0.00 66.41 63.68 1wpi h THR 61 Cb 0.13 2.98 -0.06 0.00 -1.73 0.00 0.00 68.15 69.46 1wpi h THR 61 CO -0.05 0.62 0.09 -1.54 -0.25 0.00 0.00 175.52 174.38 1wpi n SER 62 N -4.35 5.74 0.00 5.36 3.41 -0.92 -4.67 113.62 118.19 1wpi n SER 62 Ca -0.11 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 1wpi n SER 62 Cb 0.63 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1wpi n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wpi h PRO 64 N 0.00 0.31 -0.65 0.00 0.13 -1.83 -3.04 132.00 126.91 1wpi h PRO 64 Ca 0.00 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1wpi h PRO 64 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1wpi h PRO 64 CO 0.00 0.98 0.00 0.94 -0.23 0.00 0.00 178.00 179.69 1wpi n GLN 65 N -3.74 2.93 -0.16 0.86 7.27 -1.26 -4.47 117.38 118.80 1wpi n GLN 65 Ca -0.05 -2.45 -0.03 0.00 0.07 0.00 0.00 57.00 54.55 1wpi n GLN 65 Cb 0.77 -1.65 0.04 0.00 2.41 0.00 0.00 30.24 31.81 1wpi n GLN 65 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1wpi h GLY 66 N 4.48 0.38 0.25 1.69 0.00 -1.76 0.66 103.07 108.78 1wpi h GLY 66 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 1wpi h GLY 66 CO 0.09 -0.19 -0.04 -0.56 0.00 0.00 0.00 176.54 175.84 1wpi h PRO 67 N 0.01 -0.10 -1.07 4.80 0.13 -1.82 -3.16 132.00 130.78 1wpi h PRO 67 Ca 0.25 0.01 0.30 0.00 -0.87 0.00 0.00 66.00 65.69 1wpi h PRO 67 Cb 0.37 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.47 1wpi h PRO 67 CO -0.52 0.46 0.76 0.28 -0.23 0.00 0.00 178.00 178.75 1wpi h VAL 68 N -0.85 0.47 -0.20 1.56 2.07 -1.77 1.47 116.25 118.99 1wpi h VAL 68 Ca -0.01 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 1wpi h VAL 68 Cb 0.60 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1wpi h VAL 68 CO 0.02 0.02 -0.26 0.28 0.02 0.00 0.00 177.57 177.65 1wpi h SER 69 N 0.09 0.38 0.24 0.57 0.02 0.35 0.70 113.55 115.90 1wpi h SER 69 Ca 0.53 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.35 1wpi h SER 69 Cb 1.94 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.38 1wpi h SER 69 CO -0.07 0.64 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.07 1wpi h LEU 70 N 0.34 -0.28 -1.54 5.07 3.38 0.20 -0.02 115.31 122.47 1wpi h LEU 70 Ca 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1wpi h LEU 70 Cb 0.64 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1wpi h LEU 70 CO 0.05 0.23 0.15 0.06 0.09 0.00 0.00 178.44 179.02 1wpi h GLN 71 N -0.98 0.46 0.00 1.13 3.07 -1.18 0.43 115.11 118.04 1wpi h GLN 71 Ca -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1wpi h GLN 71 Cb 0.46 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.92 1wpi h GLN 71 CO 0.06 0.37 0.00 0.00 0.09 0.00 0.00 178.83 179.34 1wpi h ARG 72 N 0.46 0.00 -0.35 0.06 2.47 0.38 -3.16 114.38 114.25 1wpi h ARG 72 Ca 0.12 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.69 1wpi h ARG 72 Cb 0.07 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 1wpi h ARG 72 CO -0.02 0.00 -0.36 1.96 0.56 0.00 0.00 179.97 182.11 1wpi h GLN 73 N 0.00 0.81 -7.50 0.04 4.20 0.11 -3.45 115.11 109.33 1wpi h GLN 73 Ca 0.00 -0.41 -0.47 0.00 0.06 0.00 0.00 58.65 57.83 1wpi h GLN 73 Cb 0.75 0.00 0.11 0.00 0.30 0.00 0.00 27.48 28.65 1wpi h GLN 73 CO 0.00 1.04 0.35 -1.50 -0.67 0.00 0.00 178.83 178.05 1wpi s ILE 74 N -4.39 2.43 -0.05 2.54 2.07 -1.15 -4.91 121.20 117.74 1wpi s ILE 74 Ca -0.10 0.14 -0.09 0.00 -1.41 0.00 0.00 60.65 59.20 1wpi s ILE 74 Cb 0.12 -2.97 -0.05 0.00 0.13 0.00 0.00 42.46 39.69 1wpi s ILE 74 CO 0.86 -0.18 0.38 1.55 -1.91 0.00 0.00 174.94 175.64 1wpi h PRO 75 N -1.20 -0.30 -3.28 3.50 0.13 -1.86 -3.33 132.00 125.66 1wpi h PRO 75 Ca -0.48 0.02 -0.29 0.00 -0.87 0.00 0.00 66.00 64.38 1wpi h PRO 75 Cb 1.31 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1wpi h PRO 75 CO 0.62 -0.20 1.95 1.63 -0.23 0.00 0.00 178.00 181.77 1wpi n LYS 76 N -4.70 1.70 0.21 0.86 4.01 -1.26 -4.55 118.16 114.44 1wpi n LYS 76 Ca -0.04 -1.18 -0.11 0.00 -0.51 0.00 0.00 58.31 56.47 1wpi n LYS 76 Cb 0.12 -2.27 -0.05 0.00 -0.51 0.00 0.00 35.03 32.32 1wpi n LYS 76 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1wpi h LEU 77 N 7.84 -0.71 -1.39 -0.35 4.07 -1.74 0.88 115.31 123.91 1wpi h LEU 77 Ca 0.37 0.05 0.19 0.00 0.08 0.00 0.00 57.88 58.57 1wpi h LEU 77 Cb 0.28 0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 1wpi h LEU 77 CO 1.18 -0.40 0.85 -0.78 -1.08 0.00 0.00 178.44 178.22 1wpi h ASP 78 N -0.63 0.00 0.00 -0.43 3.58 -1.88 7.44 116.42 124.50 1wpi h ASP 78 Ca -0.05 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 1wpi h ASP 78 Cb 0.51 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 1wpi h ASP 78 CO 0.03 0.00 -0.11 0.28 -2.88 0.00 0.00 179.24 176.56 1wpi h SER 79 N 0.00 0.00 -0.00 2.28 0.02 -1.45 -3.27 113.55 111.14 1wpi h SER 79 Ca 0.31 -0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 61.01 1wpi h SER 79 Cb 2.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.56 1wpi h SER 79 CO -0.00 0.61 -0.59 1.62 -1.14 0.00 0.00 176.83 177.32 1wpi h VAL 80 N -1.00 1.43 0.00 2.27 3.04 0.37 1.83 116.25 124.19 1wpi h VAL 80 Ca -0.01 -2.08 0.00 0.00 -1.01 0.00 0.00 66.70 63.61 1wpi h VAL 80 Cb 0.20 2.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.08 1wpi h VAL 80 CO -0.00 0.60 0.31 0.17 -1.01 0.00 0.00 177.57 177.64 1wpi h LEU 81 N -0.11 0.00 0.00 3.16 8.10 1.54 -3.36 115.31 124.64 1wpi h LEU 81 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1wpi h LEU 81 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.53 1wpi h LEU 81 CO 0.12 0.00 0.00 1.17 -4.11 0.00 0.00 178.44 175.62 1wpi n LYS 82 N -2.15 0.00 0.00 0.17 3.00 -1.12 -4.96 118.16 113.09 1wpi n LYS 82 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1wpi n LYS 82 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.36 1wpi n LYS 82 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1wpi n TYR 83 N 0.00 0.00 0.00 5.64 4.01 -1.00 -4.90 117.16 120.91 1wpi n TYR 83 Ca 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1wpi n TYR 83 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1wpi n TYR 83 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1wpi n LYS 84 N -0.01 3.15 -0.12 -0.72 0.00 0.62 -2.97 118.16 118.11 1wpi n LYS 84 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 58.31 58.41 1wpi n LYS 84 Cb 0.22 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.42 1wpi n LYS 84 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1wpi n HIS 85 N 0.00 0.19 -0.29 5.64 8.25 -1.25 0.43 115.22 128.19 1wpi n HIS 85 Ca 0.00 0.19 0.34 0.00 -0.26 0.00 0.00 57.72 57.99 1wpi n HIS 85 Cb 0.00 -0.53 0.73 0.00 1.12 0.00 0.00 29.99 31.31 1wpi n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wpi h THR 86 N 0.00 0.32 0.00 1.59 1.03 -1.74 -2.86 112.91 111.24 1wpi h THR 86 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.63 1wpi h THR 86 Cb 0.73 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 68.17 1wpi h THR 86 CO -0.12 0.00 0.00 -0.67 -0.01 0.00 0.00 175.52 174.72 1wpi n ASP 87 N -3.99 0.00 -0.38 0.00 2.03 1.48 -3.96 116.55 111.74 1wpi n ASP 87 Ca 0.25 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1wpi n ASP 87 Cb 1.26 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.66 1wpi n ASP 87 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wpi n PRO 88 N 0.00 0.75 0.02 -0.67 -0.04 -1.26 -2.73 135.00 131.07 1wpi n PRO 88 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1wpi n PRO 88 Cb 0.00 -1.28 -0.14 0.00 -0.04 0.00 0.00 33.50 32.04 1wpi n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wpi h THR 89 N 0.00 0.85 0.00 0.52 1.03 -1.77 -3.39 112.91 110.15 1wpi h THR 89 Ca 0.00 -2.40 0.00 0.00 -0.01 0.00 0.00 66.41 64.00 1wpi h THR 89 Cb 0.28 2.63 0.00 0.00 -1.07 0.00 0.00 68.15 69.99 1wpi h THR 89 CO 0.00 0.80 -1.49 0.49 -0.01 0.00 0.00 175.52 175.31 1wpi n PHE 90 N -3.69 0.00 0.00 0.00 3.72 -1.08 -4.41 117.46 111.99 1wpi n PHE 90 Ca -0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 1wpi n PHE 90 Cb 1.00 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 39.26 1wpi n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wpi n GLY 91 N 1.50 -1.38 0.00 1.37 0.00 -1.11 -0.91 105.19 104.66 1wpi n GLY 91 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1wpi n GLY 91 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wpi n MET 92 N 0.00 0.00 -3.74 1.61 -0.00 -1.26 -1.35 117.12 112.38 1wpi n MET 92 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.70 57.33 1wpi n MET 92 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 33.22 33.11 1wpi n MET 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1wpi s ASP 93 N 0.00 5.32 -0.14 3.17 1.01 -1.26 -3.66 116.67 121.10 1wpi s ASP 93 Ca 0.00 -1.93 -0.17 0.00 0.71 0.00 0.00 52.55 51.16 1wpi s ASP 93 Cb 0.00 -1.86 -0.24 0.00 1.01 0.00 0.00 42.92 41.83 1wpi s ASP 93 CO 0.00 -0.54 0.43 0.17 0.21 0.00 0.00 175.17 175.44 1wpi h LEU 94 N 8.12 0.23 -2.09 1.23 -0.00 0.27 -3.33 115.31 119.75 1wpi h LEU 94 Ca -0.15 -0.77 0.10 0.00 -0.00 0.00 0.00 57.88 57.06 1wpi h LEU 94 Cb 1.05 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.63 1wpi h LEU 94 CO 0.71 1.57 0.31 -0.61 -0.00 0.00 0.00 178.44 180.42 1wpi h GLN 95 N -0.53 0.00 0.00 0.17 4.15 -1.83 1.57 115.11 118.65 1wpi h GLN 95 Ca -0.31 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.03 1wpi h GLN 95 Cb 1.59 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.27 1wpi h GLN 95 CO -0.03 0.00 -0.36 0.87 -1.93 0.00 0.00 178.83 177.38 1wpi h LYS 96 N 0.00 0.00 0.04 1.69 1.79 -1.92 3.42 116.57 121.59 1wpi h LYS 96 Ca 0.16 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.24 1wpi h LYS 96 Cb 0.78 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.37 1wpi h LYS 96 CO -0.00 0.36 -2.34 0.00 -1.08 0.00 0.00 179.45 176.39 1wpi h VAL 98 N -0.01 1.52 -0.68 0.00 2.07 0.19 0.96 116.25 120.31 1wpi h VAL 98 Ca -0.54 -2.53 0.27 0.00 0.82 0.00 0.00 66.70 64.73 1wpi h VAL 98 Cb 1.93 2.37 -0.11 0.00 -1.52 0.00 0.00 31.29 33.96 1wpi h VAL 98 CO -0.05 0.73 0.38 0.00 0.02 0.00 0.00 177.57 178.65 1wpi n GLN 99 N -3.67 -0.03 0.00 1.57 -0.00 1.14 -4.33 117.38 112.05 1wpi n GLN 99 Ca -0.01 0.84 0.00 0.00 -0.00 0.00 0.00 57.00 57.83 1wpi n GLN 99 Cb 0.73 -1.54 0.00 0.00 -0.00 0.00 0.00 30.24 29.43 1wpi n GLN 99 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1wpi n ARG 100 N -4.30 0.00 0.00 2.61 -4.01 -1.23 -4.52 116.66 105.22 1wpi n ARG 100 Ca 0.24 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.05 1wpi n ARG 100 Cb 0.84 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.26 1wpi n ARG 100 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1wpi n GLY 101 N 0.00 -1.31 0.00 2.89 0.00 -0.86 -4.22 105.19 101.69 1wpi n GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wpi n GLY 101 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wpi n LEU 102 N 0.00 0.00 -3.95 0.99 -0.00 0.33 -4.80 117.00 109.56 1wpi n LEU 102 Ca 0.00 0.03 -0.08 0.00 -0.00 0.00 0.00 56.01 55.95 1wpi n LEU 102 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1wpi n LEU 102 CO 0.00 0.00 -0.20 0.26 -0.00 0.00 0.00 177.39 177.45 1wpi s TRP 103 N -0.07 0.29 -0.57 1.96 0.52 -1.25 -5.03 118.94 114.79 1wpi s TRP 103 Ca 0.00 -0.76 -0.09 0.00 0.02 0.00 0.00 56.10 55.27 1wpi s TRP 103 Cb 0.00 -0.19 0.15 0.00 -1.15 0.00 0.00 33.47 32.28 1wpi s TRP 103 CO 0.00 -0.47 0.45 -0.80 0.02 0.00 0.00 176.95 176.15 1wpi s ASN 104 N -2.83 5.79 0.14 2.95 0.01 -1.26 -4.40 114.94 115.34 1wpi s ASN 104 Ca 0.05 -2.29 0.24 0.00 -0.71 0.00 0.00 52.86 50.15 1wpi s ASN 104 Cb 0.06 -2.01 0.91 0.00 0.41 0.00 0.00 41.25 40.62 1wpi s ASN 104 CO -0.10 -0.59 1.73 -0.81 -1.51 0.00 0.00 177.10 175.81 1wpi n PRO 105 N 4.39 0.14 -3.49 -0.60 -0.04 -1.25 -4.87 135.00 129.28 1wpi n PRO 105 Ca -0.00 0.24 -0.27 0.00 -0.04 0.00 0.00 63.50 63.43 1wpi n PRO 105 Cb 0.41 -1.71 -0.05 0.00 -0.04 0.00 0.00 33.50 32.11 1wpi n PRO 105 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wpi n LYS 106 N -1.96 -0.83 -4.43 0.54 -0.00 -1.11 -4.84 118.16 105.53 1wpi n LYS 106 Ca 0.04 0.09 -0.26 0.00 -0.00 0.00 0.00 58.31 58.18 1wpi n LYS 106 Cb 0.30 -2.96 -0.11 0.00 -0.00 0.00 0.00 35.03 32.26 1wpi n LYS 106 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1wpi s GLU 107 N -5.13 1.58 -0.17 -1.58 0.41 -1.23 -4.89 118.70 107.70 1wpi s GLU 107 Ca 0.48 -1.56 -0.02 0.00 -0.41 0.00 0.00 54.97 53.46 1wpi s GLU 107 Cb -0.28 -1.85 -0.01 0.00 -1.78 0.00 0.00 34.13 30.21 1wpi s GLU 107 CO 0.66 0.39 -0.09 0.00 -0.49 0.00 0.00 175.26 175.73 1wpi s ALA 108 N -1.84 2.73 -0.09 5.21 0.00 -1.26 -3.51 121.76 123.01 1wpi s ALA 108 Ca 0.23 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 51.05 1wpi s ALA 108 Cb -0.07 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 1wpi s ALA 108 CO 0.11 -0.00 0.40 -0.51 0.00 0.00 0.00 175.76 175.76 1wpi s LEU 109 N 0.76 4.34 -0.08 0.00 1.43 -0.93 -2.03 118.68 122.17 1wpi s LEU 109 Ca -0.04 0.78 0.04 0.00 -1.03 0.00 0.00 54.13 53.88 1wpi s LEU 109 Cb -0.15 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1wpi s LEU 109 CO 0.02 0.15 -0.19 0.86 0.23 0.00 0.00 176.35 177.41 1wpi s TRP 110 N -0.04 2.09 -0.22 0.29 -0.00 -1.03 -0.25 118.94 119.79 1wpi s TRP 110 Ca 0.23 -0.80 -0.10 0.00 -0.00 0.00 0.00 56.10 55.43 1wpi s TRP 110 Cb -0.15 -1.43 0.08 0.00 -0.00 0.00 0.00 33.47 31.97 1wpi s TRP 110 CO 0.10 -0.33 0.50 0.14 -0.00 0.00 0.00 176.95 177.35 1wpi s VAL 111 N 0.40 -0.31 0.23 5.86 -7.23 0.35 -1.77 120.40 117.93 1wpi s VAL 111 Ca -0.15 0.08 0.10 0.00 -1.81 0.00 0.00 61.98 60.20 1wpi s VAL 111 Cb -0.16 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 1wpi s VAL 111 CO 0.06 0.04 -0.06 -0.62 -0.31 0.00 0.00 175.10 174.21 1wpi s ASP 112 N 1.96 4.32 0.10 4.85 2.15 0.84 -0.45 116.67 130.45 1wpi s ASP 112 Ca -0.07 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 52.25 1wpi s ASP 112 Cb -0.09 -0.73 0.00 0.00 -0.30 0.00 0.00 42.92 41.79 1wpi s ASP 112 CO -0.15 0.05 0.00 1.87 -0.17 0.00 0.00 175.17 176.77 1wpi n TRP 113 N -0.49 -0.77 0.22 -5.34 -0.00 -1.26 -3.04 117.44 106.76 1wpi n TRP 113 Ca -0.08 0.14 0.14 0.00 -0.00 0.00 0.00 57.50 57.69 1wpi n TRP 113 Cb 0.58 0.36 0.73 0.00 -0.00 0.00 0.00 31.31 32.98 1wpi n TRP 113 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1wpi h GLU 114 N 0.00 0.00 -0.02 5.87 4.39 -1.95 0.50 114.58 123.37 1wpi h GLU 114 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wpi h GLU 114 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1wpi h GLU 114 CO 0.00 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.94 1wpi n ASN 115 N -2.47 1.49 -3.75 1.42 3.02 -1.26 -4.63 115.26 109.08 1wpi n ASN 115 Ca -0.02 -1.28 -0.23 0.00 -0.03 0.00 0.00 54.58 53.02 1wpi n ASN 115 Cb 0.10 -0.01 0.02 0.00 -0.61 0.00 0.00 39.78 39.28 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1wpi n LYS 116 N 0.21 -4.05 -4.29 3.52 2.85 0.17 -4.87 118.16 111.71 1wpi n LYS 116 Ca 0.03 0.56 -0.19 0.00 -1.05 0.00 0.00 58.31 57.65 1wpi n LYS 116 Cb 0.14 -4.93 -0.13 0.00 -0.65 0.00 0.00 35.03 29.46 1wpi n LYS 116 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1wpi s LEU 117 N -6.69 2.20 0.08 -5.58 0.20 -1.17 -4.96 118.68 102.77 1wpi s LEU 117 Ca 0.06 -0.50 -0.12 0.00 0.69 0.00 0.00 54.13 54.27 1wpi s LEU 117 Cb -0.02 -0.55 0.01 0.00 -0.43 0.00 0.00 46.19 45.20 1wpi s LEU 117 CO 0.83 -0.01 0.27 -0.69 -0.29 0.00 0.00 176.35 176.47 1wpi s VAL 118 N -0.97 0.11 0.00 1.68 1.01 -1.26 0.29 120.40 121.25 1wpi s VAL 118 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1wpi s VAL 118 Cb -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1wpi s VAL 118 CO 0.01 -0.48 0.00 0.61 0.00 0.00 0.00 175.10 175.24 1wpi n GLY 119 N 0.14 3.24 3.60 4.51 0.00 -0.73 -4.94 105.19 111.02 1wpi n GLY 119 Ca -0.17 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1wpi n GLY 119 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wpi s ASN 120 N 0.00 6.08 0.00 1.61 0.02 -1.24 -2.47 114.94 118.94 1wpi s ASN 120 Ca 0.00 0.07 0.00 0.00 -1.02 0.00 0.00 52.86 51.91 1wpi s ASN 120 Cb 0.00 -2.14 0.00 0.00 0.02 0.00 0.00 41.25 39.13 1wpi s ASN 120 CO 0.00 -0.07 0.00 -0.62 0.02 0.00 0.00 177.10 176.43 1wpi n GLU 121 N 5.05 0.00 0.09 -0.60 1.02 -0.86 -4.90 120.64 120.45 1wpi n GLU 121 Ca -0.13 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 56.95 1wpi n GLU 121 Cb 0.52 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.98 1wpi n GLU 121 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1wpi h PRO 122 N 0.00 0.14 0.00 3.49 0.13 -1.95 -2.98 132.00 130.83 1wpi h PRO 122 Ca 0.00 -0.14 -0.07 0.00 -0.87 0.00 0.00 66.00 64.93 1wpi h PRO 122 Cb 0.00 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1wpi h PRO 122 CO 0.00 0.86 -0.31 0.00 -0.23 0.00 0.00 178.00 178.31 1wpi h ALA 123 N 1.10 0.93 -0.31 -0.56 0.00 -1.94 -3.16 119.26 115.32 1wpi h ALA 123 Ca -0.03 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.67 1wpi h ALA 123 Cb 1.38 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 1wpi h ALA 123 CO 0.11 0.39 -0.11 -0.44 0.00 0.00 0.00 179.25 179.20 1wpi h ASP 124 N 0.00 -0.40 -0.00 0.00 3.32 -1.87 -0.50 116.42 116.97 1wpi h ASP 124 Ca -0.00 0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1wpi h ASP 124 Cb 0.94 0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.67 1wpi h ASP 124 CO 0.04 -0.15 -0.46 0.40 -1.72 0.00 0.00 179.24 177.35 1wpi h ILE 125 N -0.05 0.10 -0.65 0.35 2.04 -1.66 2.98 117.51 120.62 1wpi h ILE 125 Ca 0.16 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.13 1wpi h ILE 125 Cb 0.29 0.10 -0.12 0.00 -0.74 0.00 0.00 36.82 36.34 1wpi h ILE 125 CO -0.35 0.00 -0.32 -0.78 0.00 0.00 0.00 178.15 176.69 1wpi h ASP 126 N -0.61 -1.14 0.53 1.72 3.58 -1.49 2.78 116.42 121.79 1wpi h ASP 126 Ca 0.04 0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 1wpi h ASP 126 Cb 0.68 0.58 0.01 0.00 1.72 0.00 0.00 39.33 42.32 1wpi h ASP 126 CO -0.34 -0.30 -0.25 0.11 -2.88 0.00 0.00 179.24 175.58 1wpi h LYS 127 N -0.13 -0.69 0.00 0.28 6.56 -0.00 -3.15 116.57 119.45 1wpi h LYS 127 Ca 0.26 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 1wpi h LYS 127 Cb 0.55 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1wpi h LYS 127 CO -0.72 -0.46 0.00 0.66 -2.06 0.00 0.00 179.45 176.87 1wpi n TYR 128 N -4.46 0.00 -3.29 -1.35 4.02 0.99 -4.67 117.16 108.39 1wpi n TYR 128 Ca -0.09 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.58 1wpi n TYR 128 Cb 0.28 -0.10 -0.08 0.00 -0.02 0.00 0.00 39.34 39.42 1wpi n TYR 128 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1wpi s ILE 129 N -1.41 -0.02 0.53 -0.72 -5.25 0.77 -4.98 121.20 110.12 1wpi s ILE 129 Ca 0.00 -1.97 -0.13 0.00 -0.99 0.00 0.00 60.65 57.56 1wpi s ILE 129 Cb 0.00 -0.93 -0.10 0.00 2.95 0.00 0.00 42.46 44.38 1wpi s ILE 129 CO 0.00 -0.89 -0.70 0.00 -1.79 0.00 0.00 174.94 171.55 1wpi n ILE 130 N 3.25 0.00 0.00 8.37 0.00 0.71 -4.18 119.36 127.51 1wpi n ILE 130 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 62.75 62.89 1wpi n ILE 130 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.11 1wpi n ILE 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wpi n GLN 131 N 1.34 0.00 -2.68 9.51 0.00 -1.26 -2.30 117.38 121.99 1wpi n GLN 131 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 57.00 56.95 1wpi n GLN 131 Cb 0.37 -1.26 0.05 0.00 0.00 0.00 0.00 30.24 29.40 1wpi n GLN 131 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1wpi n ARG 132 N -0.51 0.17 0.00 2.61 0.00 -1.26 -4.53 116.66 113.15 1wpi n ARG 132 Ca 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 57.85 56.98 1wpi n ARG 132 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 32.46 32.26 1wpi n ARG 132 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80