#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 -0.58 0.46 7.83 0.01 -1.26 -5.18 113.70 114.98 1wpi s SER 2 Ca 0.00 0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.53 1wpi s SER 2 Cb 0.00 1.42 0.02 0.00 0.21 0.00 0.00 66.02 67.66 1wpi s SER 2 CO 0.00 -0.11 0.53 -0.36 0.41 0.00 0.00 173.24 173.71 1wpi s PHE 3 N 2.94 2.42 -0.03 2.43 0.40 -1.26 -5.04 117.98 119.84 1wpi s PHE 3 Ca 0.14 -0.53 -0.10 0.00 -0.60 0.00 0.00 56.93 55.85 1wpi s PHE 3 Cb -0.06 -2.24 -0.30 0.00 0.51 0.00 0.00 43.02 40.92 1wpi s PHE 3 CO -0.18 -0.46 0.72 -1.49 0.70 0.00 0.00 175.22 174.51 1wpi h TRP 4 N 0.70 0.68 0.00 0.36 -0.00 -2.02 -3.26 115.95 112.40 1wpi h TRP 4 Ca -0.38 -0.50 -0.03 0.00 -0.00 0.00 0.00 58.89 57.98 1wpi h TRP 4 Cb 1.28 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 30.41 1wpi h TRP 4 CO 0.49 1.61 -0.14 0.87 -0.00 0.00 0.00 178.44 181.28 1wpi h LYS 5 N 0.10 0.00 0.00 0.49 1.79 -1.89 -3.47 116.57 113.59 1wpi h LYS 5 Ca -0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1wpi h LYS 5 Cb 2.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.74 1wpi h LYS 5 CO 0.18 0.14 0.00 0.25 -1.08 0.00 0.00 179.45 178.94 1wpi n THR 6 N -3.26 0.00 -1.19 -0.16 -2.24 -1.23 -4.94 114.28 101.25 1wpi n THR 6 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1wpi n THR 6 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1wpi n THR 6 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1wpi n LEU 7 N 0.00 -2.90 -4.08 3.22 -0.00 -1.26 -4.97 117.00 107.02 1wpi n LEU 7 Ca 0.00 0.57 -0.37 0.00 -0.00 0.00 0.00 56.01 56.21 1wpi n LEU 7 Cb 0.00 -1.44 0.07 0.00 -0.00 0.00 0.00 43.42 42.05 1wpi n LEU 7 CO 0.00 -0.54 -1.61 1.67 -0.00 0.00 0.00 177.39 176.91 1wpi n GLN 8 N 0.36 -0.36 -2.34 1.96 -0.06 -1.26 -4.58 117.38 111.10 1wpi n GLN 8 Ca 0.00 -0.10 -0.03 0.00 -2.00 0.00 0.00 57.00 54.87 1wpi n GLN 8 Cb 0.00 -1.19 -0.02 0.00 -4.06 0.00 0.00 30.24 24.97 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 1.34 -4.36 -3.02 3.69 3.00 -1.26 -4.93 116.66 111.12 1wpi n ARG 9 Ca -0.01 3.28 -0.40 0.00 -0.01 0.00 0.00 57.85 60.70 1wpi n ARG 9 Cb 0.69 -4.46 -0.05 0.00 0.00 0.00 0.00 32.46 28.64 1wpi n ARG 9 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1wpi s GLN 10 N -0.74 4.32 0.47 5.56 -2.07 -1.26 -5.01 119.66 120.92 1wpi s GLN 10 Ca -0.14 0.83 -0.21 0.00 -1.82 0.00 0.00 55.36 54.02 1wpi s GLN 10 Cb 0.01 -3.53 -0.09 0.00 -1.09 0.00 0.00 33.01 28.32 1wpi s GLN 10 CO 0.38 -0.15 1.04 -1.25 -1.32 0.00 0.00 175.29 173.99 1wpi s PRO 11 N 1.58 3.87 0.00 9.60 0.04 -1.26 -4.51 135.00 144.32 1wpi s PRO 11 Ca 0.35 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1wpi s PRO 11 Cb -0.17 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1wpi s PRO 11 CO 0.14 -0.38 0.00 0.54 0.04 0.00 0.00 177.00 177.34 1wpi n ARG 12 N -0.79 0.00 -4.07 4.56 1.74 -1.26 -4.89 116.66 111.94 1wpi n ARG 12 Ca 0.08 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.85 1wpi n ARG 12 Cb 0.52 -0.58 -0.16 0.00 -1.02 0.00 0.00 32.46 31.21 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 -1.87 1.85 -0.49 0.55 2.01 -1.26 -4.48 115.64 111.95 1wpi s THR 13 Ca 0.00 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 60.99 1wpi s THR 13 Cb 0.00 -1.71 0.06 0.00 0.01 0.00 0.00 72.50 70.86 1wpi s THR 13 CO 0.00 0.48 0.54 -0.63 -0.69 0.00 0.00 174.62 174.32 1wpi s ILE 14 N 1.37 5.00 -0.45 1.82 -1.09 -1.22 -3.43 121.20 123.20 1wpi s ILE 14 Ca 0.04 -0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 57.73 1wpi s ILE 14 Cb -0.13 -4.22 0.08 0.00 -1.58 0.00 0.00 42.46 36.61 1wpi s ILE 14 CO -0.12 -0.70 0.32 -0.44 -1.23 0.00 0.00 174.94 172.77 1wpi s SER 15 N 2.56 5.82 -0.01 3.58 0.01 -0.03 -1.07 113.70 124.55 1wpi s SER 15 Ca 0.12 -1.51 0.08 0.00 1.31 0.00 0.00 55.95 55.95 1wpi s SER 15 Cb -0.20 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 1wpi s SER 15 CO 0.11 -0.60 -0.26 -0.22 0.41 0.00 0.00 173.24 172.68 1wpi s LEU 16 N 1.49 2.07 0.31 2.44 2.96 -1.08 0.38 118.68 127.25 1wpi s LEU 16 Ca 0.04 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.53 1wpi s LEU 16 Cb -0.24 -1.33 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1wpi s LEU 16 CO 0.03 0.31 0.27 -0.36 -1.32 0.00 0.00 176.35 175.28 1wpi s PHE 17 N -0.63 2.97 -0.09 5.38 0.08 0.42 -2.73 117.98 123.38 1wpi s PHE 17 Ca 0.10 -0.24 -0.06 0.00 0.12 0.00 0.00 56.93 56.85 1wpi s PHE 17 Cb -0.10 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 1wpi s PHE 17 CO -0.01 0.28 0.15 0.99 -0.10 0.00 0.00 175.22 176.53 1wpi s THR 18 N -2.25 5.47 -0.16 0.64 2.01 -0.40 -2.54 115.64 118.42 1wpi s THR 18 Ca 0.39 0.11 0.18 0.00 0.31 0.00 0.00 61.69 62.67 1wpi s THR 18 Cb -0.07 -3.43 0.38 0.00 0.01 0.00 0.00 72.50 69.39 1wpi s THR 18 CO 0.26 0.54 1.20 0.59 -0.69 0.00 0.00 174.62 176.53 1wpi n ASN 19 N 1.72 0.30 -1.54 3.53 5.03 -1.19 -4.08 115.26 119.03 1wpi n ASN 19 Ca -0.18 -2.05 0.03 0.00 0.87 0.00 0.00 54.58 53.25 1wpi n ASN 19 Cb 0.54 -0.04 -0.02 0.00 -1.02 0.00 0.00 39.78 39.25 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1wpi n ASP 20 N -0.40 -7.88 0.00 6.41 -0.08 -1.26 -2.98 116.55 110.36 1wpi n ASP 20 Ca -0.05 1.70 0.00 0.00 -1.51 0.00 0.00 54.79 54.93 1wpi n ASP 20 Cb 0.90 -4.93 0.00 0.00 2.34 0.00 0.00 41.12 39.43 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 -2.93 0.00 0.00 5.18 -0.00 -1.26 -1.43 119.36 118.92 1wpi n ILE 21 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.73 1wpi n ILE 21 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.14 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 -1.02 0.00 -0.15 -1.39 0.00 -1.26 -4.56 120.51 112.13 1wpi n ALA 22 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1wpi n ALA 22 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.38 -4.83 0.00 2.88 -1.26 -4.17 113.62 105.86 1wpi n SER 23 Ca 0.00 0.99 -0.36 0.00 -1.33 0.00 0.00 58.87 58.17 1wpi n SER 23 Cb 0.00 -0.26 -0.07 0.00 -0.75 0.00 0.00 64.21 63.13 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 -4.18 6.09 -0.08 -3.46 0.01 -1.26 -5.01 114.94 107.05 1wpi s ASN 24 Ca -0.04 0.37 -0.24 0.00 -0.71 0.00 0.00 52.86 52.24 1wpi s ASN 24 Cb 0.04 -1.91 -0.29 0.00 0.41 0.00 0.00 41.25 39.50 1wpi s ASN 24 CO 0.22 0.38 0.82 0.40 -1.51 0.00 0.00 177.10 177.41 1wpi h ILE 25 N 3.89 1.55 0.02 0.60 1.08 -1.92 -2.66 117.51 120.08 1wpi h ILE 25 Ca -0.53 -2.47 -0.17 0.00 -0.39 0.00 0.00 64.86 61.30 1wpi h ILE 25 Cb 1.22 3.21 -0.02 0.00 -3.07 0.00 0.00 36.82 38.16 1wpi h ILE 25 CO 0.58 0.67 -0.93 0.07 -0.69 0.00 0.00 178.15 177.86 1wpi h LYS 26 N -0.57 0.05 0.22 2.37 2.10 -1.95 -2.72 116.57 116.06 1wpi h LYS 26 Ca -0.12 -0.08 0.01 0.00 -2.00 0.00 0.00 60.65 58.47 1wpi h LYS 26 Cb 1.45 0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.77 1wpi h LYS 26 CO 0.09 1.04 -0.38 1.03 -2.00 0.00 0.00 179.45 179.23 1wpi h SER 27 N -0.87 -1.08 -0.42 7.07 0.87 -1.97 -2.46 113.55 114.70 1wpi h SER 27 Ca -0.24 0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1wpi h SER 27 Cb 1.30 0.39 -0.03 0.00 -0.44 0.00 0.00 62.40 63.63 1wpi h SER 27 CO -0.10 -0.48 0.26 -0.61 -0.53 0.00 0.00 176.83 175.37 1wpi h GLN 28 N -0.68 0.51 0.00 2.24 5.75 -1.65 2.97 115.11 124.25 1wpi h GLN 28 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1wpi h GLN 28 Cb 0.66 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1wpi h GLN 28 CO -0.16 0.34 0.00 1.17 -2.65 0.00 0.00 178.83 177.53 1wpi n LYS 29 N -4.83 0.00 -0.11 1.69 4.81 -0.93 -3.02 118.16 115.77 1wpi n LYS 29 Ca 0.01 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.26 1wpi n LYS 29 Cb 0.05 -0.13 -0.12 0.00 0.02 0.00 0.00 35.03 34.85 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 -3.40 0.08 0.04 0.00 7.99 -0.23 0.27 117.00 121.75 1wpi n LEU 31 Ca -0.44 1.51 -0.14 0.00 -0.01 0.00 0.00 56.01 56.93 1wpi n LEU 31 Cb 0.99 -0.63 -0.14 0.00 -0.11 0.00 0.00 43.42 43.53 1wpi n LEU 31 CO 0.27 -1.60 -0.37 1.56 -1.51 0.00 0.00 177.39 175.74 1wpi h GLN 32 N 0.00 0.16 -0.14 3.23 1.08 0.54 0.67 115.11 120.65 1wpi h GLN 32 Ca 0.64 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 57.55 1wpi h GLN 32 Cb 1.51 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 29.04 1wpi h GLN 32 CO -0.78 0.97 0.06 1.25 -0.95 0.00 0.00 178.83 179.38 1wpi h LEU 33 N 0.04 0.19 -0.27 1.46 6.46 0.23 -2.51 115.31 120.92 1wpi h LEU 33 Ca -0.24 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 1wpi h LEU 33 Cb 1.99 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.87 1wpi h LEU 33 CO 0.13 0.29 -0.37 0.00 -0.62 0.00 0.00 178.44 177.87 1wpi n LEU 34 N -4.89 0.80 -0.33 2.25 -0.00 0.76 -4.01 117.00 111.57 1wpi n LEU 34 Ca -0.05 -0.15 0.21 0.00 -0.00 0.00 0.00 56.01 56.02 1wpi n LEU 34 Cb 0.11 -0.18 0.46 0.00 -0.00 0.00 0.00 43.42 43.82 1wpi n LEU 34 CO 0.34 0.16 1.20 0.50 -0.00 0.00 0.00 177.39 179.60 1wpi h LYS 35 N 0.66 0.45 0.00 1.47 1.63 -0.38 -3.21 116.57 117.20 1wpi h LYS 35 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1wpi h LYS 35 Cb 0.50 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1wpi h LYS 35 CO 0.00 0.30 0.00 0.41 -3.45 0.00 0.00 179.45 176.71 1wpi n GLY 36 N -1.42 -1.03 3.92 5.01 0.00 -1.25 -4.78 105.19 105.63 1wpi n GLY 36 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 1wpi n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wpi s ASP 37 N -2.55 5.58 0.00 1.61 1.01 -1.21 -5.09 116.67 116.01 1wpi s ASP 37 Ca 0.00 0.63 0.00 0.00 0.71 0.00 0.00 52.55 53.89 1wpi s ASP 37 Cb 0.00 -1.63 0.00 0.00 1.01 0.00 0.00 42.92 42.30 1wpi s ASP 37 CO 0.00 -1.05 0.00 0.55 0.21 0.00 0.00 175.17 174.88 1wpi n VAL 38 N -2.53 0.00 0.00 -1.27 3.14 -1.26 -4.37 118.33 112.04 1wpi n VAL 38 Ca 0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 1wpi n VAL 38 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 1wpi n VAL 38 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1wpi n SER 39 N 0.00 0.00 0.00 6.55 3.41 -1.26 -5.03 113.62 117.29 1wpi n SER 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wpi n SER 39 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wpi n SER 39 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1wpi n HIS 40 N -0.32 0.00 -4.83 7.33 8.25 -1.26 -4.79 115.22 119.61 1wpi n HIS 40 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1wpi n HIS 40 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1wpi n HIS 40 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1wpi n ARG 41 N 9.50 0.00 -2.12 -0.41 3.00 -1.26 -4.77 116.66 120.59 1wpi n ARG 41 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.85 57.57 1wpi n ARG 41 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 32.46 32.56 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 2.54 -0.26 -1.55 -0.71 -1.26 -5.03 117.98 111.70 1wpi s PHE 42 Ca 0.00 0.41 -0.10 0.00 -1.04 0.00 0.00 56.93 56.20 1wpi s PHE 42 Cb 0.00 -3.42 -0.04 0.00 -1.21 0.00 0.00 43.02 38.35 1wpi s PHE 42 CO 0.00 -1.75 0.15 -0.51 -1.34 0.00 0.00 175.22 171.76 1wpi s ASP 43 N -4.62 5.78 0.05 1.98 1.11 -1.26 -4.89 116.67 114.81 1wpi s ASP 43 Ca 0.64 -0.04 -0.19 0.00 0.18 0.00 0.00 52.55 53.14 1wpi s ASP 43 Cb -0.09 -2.06 -0.06 0.00 1.07 0.00 0.00 42.92 41.78 1wpi s ASP 43 CO 0.47 -0.02 0.54 -0.69 1.18 0.00 0.00 175.17 176.65 1wpi s VAL 44 N 1.57 4.82 -0.28 -1.27 1.01 -1.26 -3.42 120.40 121.56 1wpi s VAL 44 Ca 0.07 1.15 -0.05 0.00 0.00 0.00 0.00 61.98 63.14 1wpi s VAL 44 Cb -0.15 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1wpi s VAL 44 CO 0.08 0.54 0.04 -0.70 0.00 0.00 0.00 175.10 175.06 1wpi s GLU 45 N -0.96 3.02 -0.41 2.72 2.12 -0.23 -4.98 118.70 119.99 1wpi s GLU 45 Ca 0.28 -0.89 -0.06 0.00 0.36 0.00 0.00 54.97 54.67 1wpi s GLU 45 Cb -0.19 -3.26 0.09 0.00 0.26 0.00 0.00 34.13 31.03 1wpi s GLU 45 CO 0.18 -0.43 0.21 0.42 -0.54 0.00 0.00 175.26 175.10 1wpi s ILE 46 N 1.45 3.69 0.00 -3.70 1.09 -1.26 -2.63 121.20 119.84 1wpi s ILE 46 Ca 0.02 -1.70 0.00 0.00 -1.10 0.00 0.00 60.65 57.87 1wpi s ILE 46 Cb -0.17 -3.37 -0.00 0.00 -1.06 0.00 0.00 42.46 37.86 1wpi s ILE 46 CO 0.00 -0.56 -0.01 0.00 -0.10 0.00 0.00 174.94 174.27 1wpi s ALA 47 N 1.28 0.07 -0.28 9.38 0.00 -1.10 -5.07 121.76 126.04 1wpi s ALA 47 Ca 0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 51.96 51.80 1wpi s ALA 47 Cb -0.23 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 1wpi s ALA 47 CO -0.01 -0.01 0.17 0.54 0.00 0.00 0.00 175.76 176.46 1wpi s ASN 48 N -0.20 5.89 -0.07 0.00 2.20 -1.26 -1.27 114.94 120.23 1wpi s ASN 48 Ca -0.02 -0.05 -0.30 0.00 -0.94 0.00 0.00 52.86 51.55 1wpi s ASN 48 Cb -0.01 -2.09 0.11 0.00 -2.00 0.00 0.00 41.25 37.26 1wpi s ASN 48 CO -0.00 -0.05 0.98 -0.60 -2.94 0.00 0.00 177.10 174.48 1wpi s ARG 49 N 1.74 0.67 0.17 3.55 6.06 -1.26 -4.80 118.95 125.09 1wpi s ARG 49 Ca 0.07 -0.20 -0.30 0.00 -2.50 0.00 0.00 55.73 52.80 1wpi s ARG 49 Cb -0.16 0.31 -0.07 0.00 0.06 0.00 0.00 34.95 35.09 1wpi s ARG 49 CO 0.10 -0.28 0.94 0.12 -2.50 0.00 0.00 175.30 173.68 1wpi s PHE 50 N -2.68 3.90 -1.19 5.12 5.36 -1.21 -4.30 117.98 122.97 1wpi s PHE 50 Ca 0.05 1.85 -0.07 0.00 -0.96 0.00 0.00 56.93 57.79 1wpi s PHE 50 Cb -0.01 -3.01 -0.07 0.00 -0.34 0.00 0.00 43.02 39.59 1wpi s PHE 50 CO -0.07 0.34 2.48 -0.35 -1.46 0.00 0.00 175.22 176.16 1wpi n PRO 51 N 2.15 2.75 -1.68 10.12 -0.04 -1.26 -4.92 135.00 142.11 1wpi n PRO 51 Ca -0.00 -1.75 -0.45 0.00 -0.04 0.00 0.00 63.50 61.26 1wpi n PRO 51 Cb 0.48 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.32 1wpi n PRO 51 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wpi n THR 52 N 3.91 0.28 0.09 0.52 -2.24 -1.26 -4.63 114.28 110.95 1wpi n THR 52 Ca 0.59 -0.07 0.20 0.00 -2.27 0.00 0.00 64.05 62.50 1wpi n THR 52 Cb 0.18 -1.63 0.71 0.00 -2.10 0.00 0.00 70.33 67.49 1wpi n THR 52 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1wpi h TRP 53 N 5.61 0.00 -0.02 4.78 2.91 -1.93 0.80 115.95 128.10 1wpi h TRP 53 Ca -0.45 0.00 0.02 0.00 1.13 0.00 0.00 58.89 59.59 1wpi h TRP 53 Cb 1.25 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.86 1wpi h TRP 53 CO 0.61 0.00 -0.36 0.22 -1.03 0.00 0.00 178.44 177.88 1wpi h ASP 54 N 0.00 -1.12 0.62 2.65 3.58 -1.98 0.55 116.42 120.72 1wpi h ASP 54 Ca 0.20 0.13 -0.27 0.00 0.42 0.00 0.00 57.03 57.50 1wpi h ASP 54 Cb 1.24 0.43 -0.04 0.00 1.72 0.00 0.00 39.33 42.68 1wpi h ASP 54 CO -0.00 -0.34 -1.50 1.56 -2.88 0.00 0.00 179.24 176.08 1wpi h GLN 55 N -0.44 0.04 -0.04 0.28 4.20 -1.55 -3.28 115.11 114.33 1wpi h GLN 55 Ca 0.01 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1wpi h GLN 55 Cb 0.48 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 1wpi h GLN 55 CO -0.25 0.74 0.04 1.25 -0.67 0.00 0.00 178.83 179.94 1wpi h LEU 56 N 0.01 0.00 -1.56 1.46 6.46 0.67 -2.01 115.31 120.34 1wpi h LEU 56 Ca -0.21 0.00 0.47 0.00 -0.12 0.00 0.00 57.88 58.03 1wpi h LEU 56 Cb 1.95 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 41.76 1wpi h LEU 56 CO 0.10 0.00 0.99 0.06 -0.62 0.00 0.00 178.44 178.97 1wpi h GLN 57 N 0.00 0.04 -0.03 1.25 -0.00 0.05 1.54 115.11 117.95 1wpi h GLN 57 Ca 0.02 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.53 1wpi h GLN 57 Cb 0.10 -0.01 0.01 0.00 -0.00 0.00 0.00 27.48 27.58 1wpi h GLN 57 CO -0.00 0.03 -0.53 1.88 -0.00 0.00 0.00 178.83 180.21 1wpi h TYR 58 N 0.04 0.59 -0.06 0.06 0.05 -1.63 -3.19 116.97 112.83 1wpi h TYR 58 Ca 0.86 -0.30 -0.13 0.00 0.05 0.00 0.00 58.73 59.21 1wpi h TYR 58 Cb 2.91 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 40.56 1wpi h TYR 58 CO -0.00 1.10 -0.55 0.52 -1.05 0.00 0.00 178.16 178.17 1wpi h MET 59 N -0.08 0.18 -0.73 4.88 2.86 0.14 -2.93 114.93 119.24 1wpi h MET 59 Ca -0.06 -0.11 0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1wpi h MET 59 Cb 1.22 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.83 1wpi h MET 59 CO 0.11 0.68 0.40 -0.09 1.06 0.00 0.00 176.91 179.07 1wpi h ARG 60 N 0.14 0.69 -0.17 1.72 9.65 0.15 -2.03 114.38 124.53 1wpi h ARG 60 Ca -0.00 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.80 1wpi h ARG 60 Cb 1.02 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 1wpi h ARG 60 CO 0.08 0.46 -0.04 1.79 2.80 0.00 0.00 179.97 185.06 1wpi h THR 61 N 0.71 1.29 -0.61 0.20 1.35 -1.52 -3.06 112.91 111.26 1wpi h THR 61 Ca 0.34 -1.01 -0.35 0.00 -0.55 0.00 0.00 66.41 64.85 1wpi h THR 61 Cb 0.28 1.60 -0.13 0.00 -1.73 0.00 0.00 68.15 68.17 1wpi h THR 61 CO -0.22 0.30 0.20 -1.20 -0.25 0.00 0.00 175.52 174.35 1wpi n SER 62 N -4.66 6.12 -3.65 5.36 7.64 -0.82 -4.74 113.62 118.86 1wpi n SER 62 Ca -0.05 -2.95 -0.00 0.00 1.01 0.00 0.00 58.87 56.87 1wpi n SER 62 Cb 0.27 -1.22 -0.07 0.00 -1.01 0.00 0.00 64.21 62.18 1wpi n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wpi h PRO 64 N 4.22 0.18 0.00 0.00 0.13 -1.85 -3.21 132.00 131.46 1wpi h PRO 64 Ca -0.27 -0.17 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1wpi h PRO 64 Cb 1.18 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1wpi h PRO 64 CO 0.21 0.89 -1.57 1.04 -0.23 0.00 0.00 178.00 178.34 1wpi n GLN 65 N -3.70 0.64 0.00 0.86 6.02 -1.26 -4.92 117.38 115.01 1wpi n GLN 65 Ca -0.03 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1wpi n GLN 65 Cb 0.76 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1wpi n GLN 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wpi n GLY 66 N 1.27 0.29 0.11 1.08 0.00 -1.22 0.23 105.19 106.96 1wpi n GLY 66 Ca -0.05 0.31 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 1wpi n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wpi h PRO 67 N 0.00 0.27 -0.75 1.61 0.13 -1.91 -3.09 132.00 128.26 1wpi h PRO 67 Ca 0.00 -0.26 0.22 0.00 -0.87 0.00 0.00 66.00 65.09 1wpi h PRO 67 Cb 0.00 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.17 1wpi h PRO 67 CO 0.00 0.95 0.81 -0.39 -0.23 0.00 0.00 178.00 179.14 1wpi h VAL 68 N -0.32 0.21 0.19 1.56 -1.51 0.26 1.91 116.25 118.55 1wpi h VAL 68 Ca -0.04 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 65.14 1wpi h VAL 68 Cb 1.06 0.35 0.03 0.00 -2.13 0.00 0.00 31.29 30.60 1wpi h VAL 68 CO 0.07 0.00 -1.26 0.28 -1.23 0.00 0.00 177.57 175.43 1wpi h SER 69 N 0.00 0.77 0.04 4.19 0.02 -0.61 -1.93 113.55 116.03 1wpi h SER 69 Ca 0.36 -0.90 -0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1wpi h SER 69 Cb 1.97 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.26 1wpi h SER 69 CO -0.00 1.61 -0.02 -0.07 -1.14 0.00 0.00 176.83 177.21 1wpi h LEU 70 N 0.07 -0.05 -0.51 5.07 3.38 0.17 -0.50 115.31 122.94 1wpi h LEU 70 Ca -0.21 -0.41 0.09 0.00 0.09 0.00 0.00 57.88 57.44 1wpi h LEU 70 Cb 1.97 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.66 1wpi h LEU 70 CO 0.24 0.64 0.10 0.06 0.09 0.00 0.00 178.44 179.56 1wpi h GLN 71 N -0.98 0.23 0.00 1.13 3.07 0.22 0.18 115.11 118.95 1wpi h GLN 71 Ca -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.68 1wpi h GLN 71 Cb 0.45 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.95 1wpi h GLN 71 CO 0.01 0.15 -0.21 0.00 0.09 0.00 0.00 178.83 178.87 1wpi h ARG 72 N 0.23 0.00 -0.18 0.06 2.47 -1.46 -2.85 114.38 112.65 1wpi h ARG 72 Ca 0.26 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.94 1wpi h ARG 72 Cb 0.35 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1wpi h ARG 72 CO -0.34 0.21 -0.05 0.37 0.56 0.00 0.00 179.97 180.72 1wpi h GLN 73 N 0.00 0.27 -6.32 0.04 -0.00 0.11 -3.42 115.11 105.78 1wpi h GLN 73 Ca -0.00 -0.05 -0.55 0.00 -0.00 0.00 0.00 58.65 58.05 1wpi h GLN 73 Cb 0.80 -0.04 -0.04 0.00 0.00 0.00 0.00 27.48 28.19 1wpi h GLN 73 CO 0.03 0.34 0.07 -1.50 0.00 0.00 0.00 178.83 177.77 1wpi s ILE 74 N -4.89 4.63 -0.54 2.39 -1.16 -0.84 -4.84 121.20 115.95 1wpi s ILE 74 Ca -0.06 1.45 -0.06 0.00 -0.51 0.00 0.00 60.65 61.47 1wpi s ILE 74 Cb 0.16 -4.02 -0.14 0.00 0.61 0.00 0.00 42.46 39.07 1wpi s ILE 74 CO 0.73 0.50 2.68 -0.81 -2.81 0.00 0.00 174.94 175.23 1wpi n PRO 75 N 1.97 2.06 -0.71 3.50 -0.04 -1.26 -2.56 135.00 137.95 1wpi n PRO 75 Ca -0.07 -1.20 -0.02 0.00 -0.04 0.00 0.00 63.50 62.17 1wpi n PRO 75 Cb 0.50 -2.19 -0.02 0.00 -0.04 0.00 0.00 33.50 31.75 1wpi n PRO 75 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wpi n LYS 76 N 3.20 0.02 -0.12 0.54 4.76 -1.26 -4.99 118.16 120.30 1wpi n LYS 76 Ca 0.44 -0.31 -0.10 0.00 -2.87 0.00 0.00 58.31 55.48 1wpi n LYS 76 Cb 0.46 0.48 -0.07 0.00 -1.84 0.00 0.00 35.03 34.06 1wpi n LYS 76 CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 1wpi h LEU 77 N 0.02 -1.39 -1.77 -0.35 -0.00 -1.59 1.20 115.31 111.43 1wpi h LEU 77 Ca -0.17 0.18 0.53 0.00 -0.00 0.00 0.00 57.88 58.42 1wpi h LEU 77 Cb 0.79 0.57 -0.09 0.00 -0.00 0.00 0.00 40.66 41.94 1wpi h LEU 77 CO -0.09 -0.28 1.25 -0.67 -0.00 0.00 0.00 178.44 178.65 1wpi n ASP 78 N -4.65 0.04 -0.06 0.17 -0.08 -1.26 0.59 116.55 111.30 1wpi n ASP 78 Ca -0.02 1.02 -0.04 0.00 -1.51 0.00 0.00 54.79 54.24 1wpi n ASP 78 Cb 0.24 -0.51 -0.02 0.00 2.34 0.00 0.00 41.12 43.18 1wpi n ASP 78 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1wpi h SER 79 N 0.00 0.00 0.03 1.67 0.02 0.68 -3.27 113.55 112.67 1wpi h SER 79 Ca 0.88 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.75 1wpi h SER 79 Cb 3.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.95 1wpi h SER 79 CO -0.10 0.69 -0.01 1.62 -1.14 0.00 0.00 176.83 177.89 1wpi h VAL 80 N -1.00 1.31 -0.74 2.27 3.04 0.48 1.85 116.25 123.45 1wpi h VAL 80 Ca -0.02 -1.82 0.21 0.00 -1.01 0.00 0.00 66.70 64.07 1wpi h VAL 80 Cb 0.34 2.40 -0.03 0.00 -2.01 0.00 0.00 31.29 31.99 1wpi h VAL 80 CO -0.01 0.42 0.82 0.25 -1.01 0.00 0.00 177.57 178.03 1wpi h LEU 81 N -0.93 0.00 0.00 3.16 5.85 1.64 -3.33 115.31 121.70 1wpi h LEU 81 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wpi h LEU 81 Cb 0.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1wpi h LEU 81 CO 0.01 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.40 1wpi n LYS 82 N -3.51 0.00 0.00 1.25 4.76 -0.88 -4.94 118.16 114.84 1wpi n LYS 82 Ca 0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 1wpi n LYS 82 Cb 1.07 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.26 1wpi n LYS 82 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1wpi n TYR 83 N 0.00 0.00 0.00 2.13 9.36 -0.88 -4.91 117.16 122.85 1wpi n TYR 83 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1wpi n TYR 83 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1wpi n TYR 83 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1wpi n LYS 84 N 0.00 1.05 -0.20 2.98 4.81 0.62 -2.83 118.16 124.60 1wpi n LYS 84 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.60 1wpi n LYS 84 Cb 0.08 0.00 0.25 0.00 0.02 0.00 0.00 35.03 35.38 1wpi n LYS 84 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1wpi n HIS 85 N 0.00 0.00 -0.26 5.64 8.25 -1.20 0.30 115.22 127.96 1wpi n HIS 85 Ca 0.00 0.00 0.33 0.00 -0.26 0.00 0.00 57.72 57.79 1wpi n HIS 85 Cb 0.00 -0.15 0.74 0.00 1.12 0.00 0.00 29.99 31.70 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 0.41 0.00 1.59 1.03 -1.66 -3.06 112.91 111.22 1wpi h THR 86 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.68 1wpi h THR 86 Cb 1.23 0.44 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 1wpi h THR 86 CO -0.00 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 175.98 1wpi n ASP 87 N -4.12 0.00 -0.59 0.00 8.00 0.88 -3.59 116.55 117.14 1wpi n ASP 87 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1wpi n ASP 87 Cb 1.16 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.26 1wpi n ASP 87 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1wpi n PRO 88 N 0.00 0.75 -0.06 -0.24 -0.04 -1.26 -2.54 135.00 131.61 1wpi n PRO 88 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1wpi n PRO 88 Cb 0.00 -1.33 -0.13 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.04 1.05 0.00 0.52 1.03 -1.76 -3.42 112.91 110.38 1wpi h THR 89 Ca 0.00 -2.28 -0.11 0.00 -0.01 0.00 0.00 66.41 64.02 1wpi h THR 89 Cb 0.44 2.55 -0.02 0.00 -1.07 0.00 0.00 68.15 70.05 1wpi h THR 89 CO 0.00 0.51 -1.66 0.49 -0.01 0.00 0.00 175.52 174.85 1wpi n PHE 90 N -4.24 0.00 0.00 0.00 3.72 -1.16 -4.65 117.46 111.13 1wpi n PHE 90 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 1wpi n PHE 90 Cb 0.74 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 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 2.07 0.00 0.00 1.37 0.00 -1.05 -2.23 105.19 105.35 1wpi n GLY 91 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.50 1.61 -0.00 -1.26 -4.01 117.12 109.96 1wpi n MET 92 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.70 57.28 1wpi n MET 92 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 33.22 33.13 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 -1.49 5.90 0.10 3.17 1.11 -1.26 -3.32 116.67 120.87 1wpi s ASP 93 Ca 0.00 -1.38 -0.12 0.00 0.18 0.00 0.00 52.55 51.23 1wpi s ASP 93 Cb 0.00 -2.09 -0.18 0.00 1.07 0.00 0.00 42.92 41.73 1wpi s ASP 93 CO 0.00 -0.58 1.26 0.17 1.18 0.00 0.00 175.17 177.20 1wpi h LEU 94 N 8.58 0.89 -2.00 1.23 -0.00 -1.58 -3.07 115.31 119.37 1wpi h LEU 94 Ca -0.26 -0.65 0.30 0.00 -0.00 0.00 0.00 57.88 57.28 1wpi h LEU 94 Cb 1.10 -0.27 -0.04 0.00 -0.00 0.00 0.00 40.66 41.45 1wpi h LEU 94 CO 0.81 1.45 0.75 -0.61 -0.00 0.00 0.00 178.44 180.84 1wpi h GLN 95 N 0.45 0.00 0.00 0.17 4.15 -1.85 1.99 115.11 120.02 1wpi h GLN 95 Ca -0.09 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 1wpi h GLN 95 Cb 1.54 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.23 1wpi h GLN 95 CO 0.18 0.00 -0.23 0.87 -1.93 0.00 0.00 178.83 177.72 1wpi h LYS 96 N 0.00 0.00 0.01 1.69 1.79 -1.91 2.01 116.57 120.15 1wpi h LYS 96 Ca 0.50 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.55 1wpi h LYS 96 Cb 2.00 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 32.59 1wpi h LYS 96 CO -0.01 0.23 -2.30 0.00 -1.08 0.00 0.00 179.45 176.30 1wpi h VAL 98 N -0.80 1.16 -1.47 0.00 2.07 0.15 1.26 116.25 118.62 1wpi h VAL 98 Ca -0.61 -0.73 0.43 0.00 0.82 0.00 0.00 66.70 66.60 1wpi h VAL 98 Cb 1.63 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.69 1wpi h VAL 98 CO -0.32 0.21 1.27 0.00 0.02 0.00 0.00 177.57 178.75 1wpi n GLN 99 N -4.29 0.01 0.00 1.57 -0.00 0.68 -4.26 117.38 111.09 1wpi n GLN 99 Ca -0.02 1.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.98 1wpi n GLN 99 Cb 0.27 -2.39 0.00 0.00 -0.00 0.00 0.00 30.24 28.12 1wpi n GLN 99 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1wpi n ARG 100 N -3.50 0.00 0.00 2.61 0.63 -0.98 -4.93 116.66 110.49 1wpi n ARG 100 Ca 0.33 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1wpi n ARG 100 Cb 1.71 0.00 0.00 0.00 0.45 0.00 0.00 32.46 34.62 1wpi n ARG 100 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wpi n GLY 101 N 0.00 -2.79 5.36 5.14 0.00 0.43 -4.53 105.19 108.80 1wpi n GLY 101 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.82 0.99 0.00 -1.24 -4.21 117.00 108.72 1wpi n LEU 102 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.90 1wpi n LEU 102 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 1wpi n LEU 102 CO 0.00 0.00 -0.07 0.86 0.00 0.00 0.00 177.39 178.18 1wpi s TRP 103 N 0.00 -0.01 -0.48 1.96 -0.11 -1.26 -5.09 118.94 113.96 1wpi s TRP 103 Ca 0.00 -0.13 -0.16 0.00 1.22 0.00 0.00 56.10 57.03 1wpi s TRP 103 Cb 0.00 0.00 0.07 0.00 -1.50 0.00 0.00 33.47 32.04 1wpi s TRP 103 CO 0.00 -0.41 0.44 0.54 -4.62 0.00 0.00 176.95 172.90 1wpi s ASN 104 N -1.84 6.16 0.00 5.86 4.22 -1.26 -4.43 114.94 123.66 1wpi s ASN 104 Ca -0.08 -1.21 0.23 0.00 -2.14 0.00 0.00 52.86 49.66 1wpi s ASN 104 Cb -0.03 -2.21 1.22 0.00 1.28 0.00 0.00 41.25 41.52 1wpi s ASN 104 CO -0.02 -0.69 1.76 -0.81 -2.04 0.00 0.00 177.10 175.30 1wpi n PRO 105 N 5.42 0.44 -2.86 3.55 -0.04 -1.25 -4.85 135.00 135.41 1wpi n PRO 105 Ca -0.11 0.05 -0.14 0.00 -0.04 0.00 0.00 63.50 63.26 1wpi n PRO 105 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 1wpi n PRO 105 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wpi n LYS 106 N -1.21 -0.93 -4.18 0.54 4.01 -1.07 -4.81 118.16 110.51 1wpi n LYS 106 Ca 0.13 0.04 -0.17 0.00 -0.51 0.00 0.00 58.31 57.80 1wpi n LYS 106 Cb 0.15 -1.56 -0.11 0.00 -0.51 0.00 0.00 35.03 33.00 1wpi n LYS 106 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1wpi s GLU 107 N -3.88 0.85 -0.11 1.97 0.41 -0.51 -4.75 118.70 112.68 1wpi s GLU 107 Ca 0.17 -1.05 0.02 0.00 -0.41 0.00 0.00 54.97 53.70 1wpi s GLU 107 Cb -0.10 -0.75 -0.01 0.00 -1.78 0.00 0.00 34.13 31.48 1wpi s GLU 107 CO 0.38 0.15 -0.17 0.00 -0.49 0.00 0.00 175.26 175.13 1wpi s ALA 108 N -1.71 2.48 -0.39 5.21 0.00 -1.26 -3.19 121.76 122.90 1wpi s ALA 108 Ca 0.01 -0.93 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 1wpi s ALA 108 Cb -0.07 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 22.00 1wpi s ALA 108 CO 0.02 0.30 0.50 -0.51 0.00 0.00 0.00 175.76 176.07 1wpi s LEU 109 N 0.21 4.53 -0.31 0.00 2.01 -1.05 -0.75 118.68 123.31 1wpi s LEU 109 Ca -0.10 -0.29 -0.04 0.00 0.01 0.00 0.00 54.13 53.71 1wpi s LEU 109 Cb -0.16 -2.53 0.04 0.00 0.01 0.00 0.00 46.19 43.56 1wpi s LEU 109 CO 0.06 -0.55 0.04 0.86 1.01 0.00 0.00 176.35 177.76 1wpi s TRP 110 N 2.36 3.25 -0.04 0.29 -0.00 -1.11 0.16 118.94 123.85 1wpi s TRP 110 Ca 0.17 -1.68 0.04 0.00 -0.00 0.00 0.00 56.10 54.63 1wpi s TRP 110 Cb -0.16 -2.17 -0.00 0.00 -0.00 0.00 0.00 33.47 31.14 1wpi s TRP 110 CO 0.14 -0.77 -0.15 0.14 -0.00 0.00 0.00 176.95 176.31 1wpi s VAL 111 N 1.31 1.25 -0.08 5.86 -7.23 0.16 -0.84 120.40 120.84 1wpi s VAL 111 Ca -0.04 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 1wpi s VAL 111 Cb -0.19 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 1wpi s VAL 111 CO 0.00 0.37 -0.06 -1.81 -0.31 0.00 0.00 175.10 173.29 1wpi s ASP 112 N 0.07 4.66 0.00 4.85 1.11 0.70 -0.85 116.67 127.21 1wpi s ASP 112 Ca -0.03 -0.04 0.00 0.00 0.18 0.00 0.00 52.55 52.65 1wpi s ASP 112 Cb -0.11 -1.29 0.00 0.00 1.07 0.00 0.00 42.92 42.59 1wpi s ASP 112 CO 0.02 0.33 0.00 1.87 1.18 0.00 0.00 175.17 178.56 1wpi n TRP 113 N 2.47 0.00 0.00 4.23 -0.00 -1.22 -2.97 117.44 119.95 1wpi n TRP 113 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.32 1wpi n TRP 113 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.84 1wpi n TRP 113 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1wpi n GLU 114 N -0.97 0.00 0.00 5.87 -0.58 -1.26 0.31 120.64 124.01 1wpi n GLU 114 Ca 0.00 0.34 0.12 0.00 -0.42 0.00 0.00 57.16 57.20 1wpi n GLU 114 Cb 0.00 -1.66 0.15 0.00 -0.57 0.00 0.00 31.44 29.36 1wpi n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1wpi n ASN 115 N -1.34 2.29 -3.50 1.62 3.02 -1.26 -4.24 115.26 111.85 1wpi n ASN 115 Ca 0.00 -1.67 -0.24 0.00 -0.03 0.00 0.00 54.58 52.64 1wpi n ASN 115 Cb 0.16 0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.48 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 0.55 -2.79 -4.06 3.52 0.00 0.93 -4.64 118.16 111.67 1wpi n LYS 116 Ca 0.13 0.33 -0.12 0.00 -0.00 0.00 0.00 58.31 58.65 1wpi n LYS 116 Cb 0.50 -4.98 -0.11 0.00 -0.00 0.00 0.00 35.03 30.43 1wpi n LYS 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1wpi s LEU 117 N -6.44 2.28 0.18 -5.58 1.43 -1.16 -5.01 118.68 104.39 1wpi s LEU 117 Ca 0.44 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 1wpi s LEU 117 Cb -0.24 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 45.88 1wpi s LEU 117 CO 0.54 -0.25 0.42 -0.69 0.23 0.00 0.00 176.35 176.60 1wpi s VAL 118 N -1.66 0.04 0.00 -1.59 1.01 -1.25 0.25 120.40 117.21 1wpi s VAL 118 Ca -0.08 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1wpi s VAL 118 Cb -0.08 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1wpi s VAL 118 CO -0.00 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.50 1wpi n GLY 119 N -0.28 0.42 3.55 4.51 0.00 -0.02 -4.90 105.19 108.48 1wpi n GLY 119 Ca -0.09 0.65 -0.39 0.00 0.00 0.00 0.00 46.02 46.19 1wpi n GLY 119 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wpi s ASN 120 N 0.00 5.66 0.00 1.61 3.84 -1.25 -2.75 114.94 122.05 1wpi s ASN 120 Ca 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 52.86 52.96 1wpi s ASN 120 Cb 0.00 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 1wpi s ASN 120 CO 0.00 -2.15 0.00 -0.62 -2.79 0.00 0.00 177.10 171.54 1wpi n GLU 121 N 9.23 0.00 0.21 0.43 1.02 0.07 -4.89 120.64 126.71 1wpi n GLU 121 Ca 0.15 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.39 1wpi n GLU 121 Cb 0.51 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.25 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 0.00 -0.00 3.49 0.13 -1.87 -2.95 132.00 130.79 1wpi h PRO 122 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1wpi h PRO 122 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1wpi h PRO 122 CO 0.00 0.21 -0.82 0.00 -0.23 0.00 0.00 178.00 177.16 1wpi h ALA 123 N 1.79 0.62 -0.84 -0.56 0.00 -1.93 -3.04 119.26 115.29 1wpi h ALA 123 Ca -0.00 -0.71 0.21 0.00 0.00 0.00 0.00 54.91 54.40 1wpi h ALA 123 Cb 0.92 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1wpi h ALA 123 CO 0.03 0.94 0.58 0.22 0.00 0.00 0.00 179.25 181.02 1wpi h ASP 124 N 0.06 0.25 0.36 0.00 3.58 -1.79 0.75 116.42 119.63 1wpi h ASP 124 Ca -0.02 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1wpi h ASP 124 Cb 1.43 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.47 1wpi h ASP 124 CO 0.12 0.10 -0.18 0.40 -2.88 0.00 0.00 179.24 176.80 1wpi h ILE 125 N 0.25 0.51 -0.02 2.25 2.04 -1.66 -1.77 117.51 119.10 1wpi h ILE 125 Ca 0.42 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.66 1wpi h ILE 125 Cb 1.27 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1wpi h ILE 125 CO -0.11 0.10 -0.12 -0.78 0.00 0.00 0.00 178.15 177.24 1wpi h ASP 126 N -0.92 -0.36 -0.64 1.72 1.82 -1.19 0.95 116.42 117.80 1wpi h ASP 126 Ca -0.05 0.06 0.13 0.00 -0.39 0.00 0.00 57.03 56.77 1wpi h ASP 126 Cb 0.54 0.16 -0.12 0.00 0.68 0.00 0.00 39.33 40.58 1wpi h ASP 126 CO 0.08 -0.17 -0.21 0.11 -1.61 0.00 0.00 179.24 177.44 1wpi h LYS 127 N -0.20 -0.04 0.00 0.28 6.56 0.39 -3.26 116.57 120.30 1wpi h LYS 127 Ca 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 1wpi h LYS 127 Cb 0.27 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 1wpi h LYS 127 CO -0.14 -0.03 0.00 0.98 -2.06 0.00 0.00 179.45 178.20 1wpi n TYR 128 N -5.45 0.00 -3.39 -1.35 9.36 -0.67 -4.87 117.16 110.80 1wpi n TYR 128 Ca 0.07 0.00 -0.45 0.00 3.32 0.00 0.00 57.90 60.84 1wpi n TYR 128 Cb 0.35 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.03 1wpi n TYR 128 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 1wpi s ILE 129 N 0.14 5.34 0.00 2.97 -5.25 0.30 -4.88 121.20 119.82 1wpi s ILE 129 Ca 0.00 -2.58 0.00 0.00 -0.99 0.00 0.00 60.65 57.08 1wpi s ILE 129 Cb 0.00 -4.31 0.00 0.00 2.95 0.00 0.00 42.46 41.10 1wpi s ILE 129 CO 0.00 -1.01 0.00 2.30 -1.79 0.00 0.00 174.94 174.44 1wpi n ILE 130 N 3.86 0.00 -0.03 8.37 -6.64 0.45 -4.15 119.36 121.22 1wpi n ILE 130 Ca 0.13 0.00 -0.09 0.00 -1.77 0.00 0.00 62.75 61.02 1wpi n ILE 130 Cb 0.45 0.00 -0.03 0.00 -1.44 0.00 0.00 39.64 38.63 1wpi n ILE 130 CO 0.00 0.00 0.00 1.56 -1.77 0.00 0.00 176.55 176.34 1wpi h GLN 131 N 0.00 -0.30 -3.17 6.28 4.20 -1.85 -3.33 115.11 116.94 1wpi h GLN 131 Ca 0.00 0.02 -0.62 0.00 0.06 0.00 0.00 58.65 58.11 1wpi h GLN 131 Cb 0.00 0.07 -0.40 0.00 0.30 0.00 0.00 27.48 27.44 1wpi h GLN 131 CO 0.00 -0.20 -0.70 0.50 -0.67 0.00 0.00 178.83 177.76 1wpi s ARG 132 N -6.04 1.54 0.00 1.46 6.06 -1.26 -4.86 118.95 115.86 1wpi s ARG 132 Ca -0.15 -2.22 0.00 0.00 -2.50 0.00 0.00 55.73 50.86 1wpi s ARG 132 Cb 0.11 -2.72 0.00 0.00 0.06 0.00 0.00 34.95 32.41 1wpi s ARG 132 CO 0.67 -1.13 0.00 0.36 -2.50 0.00 0.00 175.30 172.70