#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1chp n PRO 2 N 0.00 2.09 0.02 -2.82 -0.04 -1.26 -4.88 135.00 128.10 1chp n PRO 2 Ca 0.00 0.74 0.11 0.00 -0.04 0.00 0.00 63.50 64.31 1chp n PRO 2 Cb 0.00 -2.36 0.06 0.00 -0.04 0.00 0.00 33.50 31.16 1chp n PRO 2 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1chp n GLN 3 N 1.41 0.17 -3.95 0.54 -0.06 -1.26 -4.95 117.38 109.28 1chp n GLN 3 Ca 0.09 -0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.99 1chp n GLN 3 Cb 0.34 -1.56 -0.03 0.00 -4.06 0.00 0.00 30.24 24.93 1chp n GLN 3 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1chp s ASN 4 N -3.54 0.14 0.31 1.69 4.22 -1.26 -5.05 114.94 111.44 1chp s ASN 4 Ca 0.06 -1.06 0.02 0.00 -2.14 0.00 0.00 52.86 49.74 1chp s ASN 4 Cb 0.15 0.69 0.49 0.00 1.28 0.00 0.00 41.25 43.86 1chp s ASN 4 CO 0.79 -1.34 1.83 -0.29 -2.04 0.00 0.00 177.10 176.05 1chp h ILE 5 N 2.12 1.22 -0.25 0.54 2.10 -1.95 -2.19 117.51 119.10 1chp h ILE 5 Ca -0.27 -0.86 -0.04 0.00 1.08 0.00 0.00 64.86 64.77 1chp h ILE 5 Cb 1.25 0.89 -0.01 0.00 -1.09 0.00 0.00 36.82 37.86 1chp h ILE 5 CO 0.35 0.30 -0.01 0.74 -1.08 0.00 0.00 178.15 178.46 1chp h THR 6 N 0.61 1.26 -0.24 2.19 2.02 -1.99 -0.10 112.91 116.67 1chp h THR 6 Ca 0.13 -0.92 -0.11 0.00 0.77 0.00 0.00 66.41 66.27 1chp h THR 6 Cb 0.36 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1chp h THR 6 CO 0.01 0.29 -0.33 0.44 0.37 0.00 0.00 175.52 176.30 1chp h ASP 7 N 0.23 0.51 -0.29 4.18 3.32 -1.97 -2.25 116.42 120.16 1chp h ASP 7 Ca 0.07 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1chp h ASP 7 Cb 0.43 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1chp h ASP 7 CO 0.01 0.81 0.10 0.25 -1.72 0.00 0.00 179.24 178.69 1chp h LEU 8 N 0.43 0.42 -0.76 1.55 6.46 -1.31 -3.17 115.31 118.92 1chp h LEU 8 Ca 0.05 -0.19 -0.07 0.00 -0.12 0.00 0.00 57.88 57.55 1chp h LEU 8 Cb 0.78 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 1chp h LEU 8 CO 0.06 0.50 0.14 0.00 -0.62 0.00 0.00 178.44 178.52 1chp n ALA 10 N -2.46 1.17 1.29 0.00 0.00 -0.86 -2.22 120.51 117.43 1chp n ALA 10 Ca 0.05 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.66 1chp n ALA 10 Cb 0.27 -1.13 0.61 0.00 0.00 0.00 0.00 19.45 19.20 1chp n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1chp n GLU 11 N -1.69 0.42 -4.49 0.00 1.02 -1.02 -4.89 120.64 110.00 1chp n GLU 11 Ca 0.01 -0.11 -0.24 0.00 -0.02 0.00 0.00 57.16 56.80 1chp n GLU 11 Cb 0.05 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.87 1chp n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1chp s TYR 12 N -2.65 2.25 0.08 -0.32 1.51 -0.94 -5.13 117.35 112.15 1chp s TYR 12 Ca 0.24 -0.47 -0.05 0.00 -1.01 0.00 0.00 57.07 55.78 1chp s TYR 12 Cb 0.20 -1.16 -0.05 0.00 -0.11 0.00 0.00 41.96 40.84 1chp s TYR 12 CO 0.51 0.58 0.32 -1.01 -1.11 0.00 0.00 175.55 174.84 1chp s HIS 13 N -2.65 3.52 -1.12 2.71 3.76 -1.26 -4.37 115.29 115.88 1chp s HIS 13 Ca 0.30 0.53 -0.00 0.00 -0.15 0.00 0.00 55.06 55.74 1chp s HIS 13 Cb -0.00 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.71 1chp s HIS 13 CO 0.15 0.52 0.05 0.09 -0.85 0.00 0.00 174.74 174.69 1chp n ASN 14 N 0.49 -4.17 -4.44 1.40 3.02 -1.26 -4.95 115.26 105.34 1chp n ASN 14 Ca -0.06 -0.03 -0.25 0.00 -0.03 0.00 0.00 54.58 54.21 1chp n ASN 14 Cb 0.52 -3.32 -0.11 0.00 -0.61 0.00 0.00 39.78 36.26 1chp n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1chp s THR 15 N -2.70 2.39 -0.06 3.41 -4.23 -1.25 -0.06 115.64 113.14 1chp s THR 15 Ca 0.02 -2.22 -0.23 0.00 -1.18 0.00 0.00 61.69 58.09 1chp s THR 15 Cb -0.01 -2.20 0.05 0.00 1.34 0.00 0.00 72.50 71.68 1chp s THR 15 CO 0.03 -0.27 0.51 0.00 -0.54 0.00 0.00 174.62 174.35 1chp s GLN 16 N -3.10 0.84 0.11 3.99 -2.07 0.57 -4.85 119.66 115.14 1chp s GLN 16 Ca 0.25 0.17 -0.14 0.00 -1.82 0.00 0.00 55.36 53.82 1chp s GLN 16 Cb -0.06 0.39 -0.07 0.00 -1.09 0.00 0.00 33.01 32.18 1chp s GLN 16 CO 0.12 -0.23 0.50 0.42 -1.32 0.00 0.00 175.29 174.79 1chp s ILE 17 N -0.99 4.92 -0.10 3.63 -1.09 -1.26 -0.96 121.20 125.34 1chp s ILE 17 Ca -0.10 0.77 0.02 0.00 -2.23 0.00 0.00 60.65 59.10 1chp s ILE 17 Cb -0.03 -3.72 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1chp s ILE 17 CO 0.06 0.31 -0.14 -1.00 -1.23 0.00 0.00 174.94 172.94 1chp s HIS 18 N -1.39 1.84 -0.39 3.97 3.76 0.77 -4.97 115.29 118.88 1chp s HIS 18 Ca 0.35 -0.84 -0.12 0.00 -0.15 0.00 0.00 55.06 54.29 1chp s HIS 18 Cb -0.15 -1.35 0.03 0.00 1.11 0.00 0.00 32.58 32.22 1chp s HIS 18 CO 0.18 -0.45 0.23 0.99 -0.85 0.00 0.00 174.74 174.85 1chp s THR 19 N 1.00 4.72 -0.27 1.30 2.01 -1.26 -0.65 115.64 122.50 1chp s THR 19 Ca -0.07 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 1chp s THR 19 Cb -0.15 -3.65 -0.15 0.00 0.01 0.00 0.00 72.50 68.56 1chp s THR 19 CO -0.01 -0.27 -0.28 0.18 -0.69 0.00 0.00 174.62 173.54 1chp n LEU 20 N 5.03 2.52 -4.04 4.42 7.99 0.12 -4.99 117.00 128.04 1chp n LEU 20 Ca -0.12 0.07 -0.28 0.00 -0.01 0.00 0.00 56.01 55.68 1chp n LEU 20 Cb 0.46 -0.86 -0.03 0.00 -0.11 0.00 0.00 43.42 42.88 1chp n LEU 20 CO 0.38 0.78 -0.21 0.59 -1.51 0.00 0.00 177.39 177.41 1chp n ASN 21 N -3.69 -0.84 -3.60 -1.43 5.03 -0.28 -4.94 115.26 105.50 1chp n ASN 21 Ca -0.49 -1.03 -0.13 0.00 0.87 0.00 0.00 54.58 53.80 1chp n ASN 21 Cb 0.94 -2.86 -0.05 0.00 -1.02 0.00 0.00 39.78 36.79 1chp n ASN 21 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1chp s ASP 22 N -4.14 -0.36 0.71 6.41 2.15 -0.85 -4.90 116.67 115.69 1chp s ASP 22 Ca 0.16 0.01 -0.11 0.00 0.43 0.00 0.00 52.55 53.04 1chp s ASP 22 Cb -0.09 0.47 0.02 0.00 -0.30 0.00 0.00 42.92 43.02 1chp s ASP 22 CO 0.91 -0.75 1.07 -1.59 -0.17 0.00 0.00 175.17 174.64 1chp s LYS 23 N -2.83 2.81 0.23 4.34 -2.85 -1.26 -1.66 119.74 118.52 1chp s LYS 23 Ca -0.03 0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 55.45 1chp s LYS 23 Cb -0.00 -1.99 -0.09 0.00 -2.06 0.00 0.00 37.83 33.69 1chp s LYS 23 CO -0.05 -1.15 1.21 0.42 0.10 0.00 0.00 175.35 175.89 1chp s ILE 24 N -3.12 3.36 -0.12 3.79 1.01 -1.26 -4.68 121.20 120.18 1chp s ILE 24 Ca 0.58 1.21 -0.19 0.00 0.00 0.00 0.00 60.65 62.26 1chp s ILE 24 Cb -0.13 -3.77 -0.26 0.00 0.01 0.00 0.00 42.46 38.31 1chp s ILE 24 CO 0.54 0.23 0.54 0.15 0.00 0.00 0.00 174.94 176.40 1chp h PHE 25 N 4.68 0.31 -3.92 3.97 3.57 -0.97 -3.48 116.94 121.11 1chp h PHE 25 Ca -0.46 -0.23 -0.16 0.00 3.53 0.00 0.00 57.97 60.66 1chp h PHE 25 Cb 1.22 -0.01 -0.20 0.00 2.79 0.00 0.00 35.95 39.74 1chp h PHE 25 CO 0.60 1.46 -0.65 -1.54 -2.23 0.00 0.00 178.31 175.96 1chp s SER 26 N -6.89 0.23 -0.07 0.41 1.04 -1.13 -4.97 113.70 102.32 1chp s SER 26 Ca -0.21 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 55.72 1chp s SER 26 Cb 0.04 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1chp s SER 26 CO 0.73 -0.37 -0.10 -0.47 0.98 0.00 0.00 173.24 174.01 1chp s TYR 27 N -1.84 1.31 -0.04 5.02 5.04 -1.26 -2.45 117.35 123.12 1chp s TYR 27 Ca -0.12 -0.49 0.05 0.00 -2.44 0.00 0.00 57.07 54.07 1chp s TYR 27 Cb -0.07 -1.00 -0.00 0.00 0.35 0.00 0.00 41.96 41.24 1chp s TYR 27 CO -0.02 -0.29 -0.18 0.99 -1.34 0.00 0.00 175.55 174.71 1chp s THR 28 N 0.84 1.51 -0.05 4.34 2.01 0.50 -4.99 115.64 119.80 1chp s THR 28 Ca -0.12 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1chp s THR 28 Cb -0.15 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.09 1chp s THR 28 CO 0.02 0.43 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.61 1chp s GLU 29 N 0.01 1.03 -0.04 4.92 2.12 -1.26 -0.54 118.70 124.94 1chp s GLU 29 Ca -0.04 -0.18 0.06 0.00 0.36 0.00 0.00 54.97 55.17 1chp s GLU 29 Cb -0.12 -0.96 -0.01 0.00 0.26 0.00 0.00 34.13 33.31 1chp s GLU 29 CO 0.02 -0.05 -0.21 0.45 -0.54 0.00 0.00 175.26 174.93 1chp s SER 30 N 0.81 2.60 0.00 -1.70 0.15 -0.08 -4.99 113.70 110.50 1chp s SER 30 Ca -0.12 -0.43 0.14 0.00 0.70 0.00 0.00 55.95 56.25 1chp s SER 30 Cb -0.15 -0.63 0.10 0.00 -1.71 0.00 0.00 66.02 63.64 1chp s SER 30 CO 0.01 0.21 0.94 0.00 1.20 0.00 0.00 173.24 175.61 1chp n LEU 31 N 2.94 2.14 -4.72 3.45 -0.00 -1.26 -2.51 117.00 117.03 1chp n LEU 31 Ca -0.17 -0.98 -0.42 0.00 -0.00 0.00 0.00 56.01 54.44 1chp n LEU 31 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1chp n LEU 31 CO 0.25 0.39 0.97 0.00 -0.00 0.00 0.00 177.39 179.00 1chp n ALA 32 N 0.72 1.64 -1.64 1.47 0.00 -1.26 -4.73 120.51 116.71 1chp n ALA 32 Ca 0.08 0.35 -0.55 0.00 0.00 0.00 0.00 53.44 53.32 1chp n ALA 32 Cb 0.36 -2.31 -0.07 0.00 0.00 0.00 0.00 19.45 17.43 1chp n ALA 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1chp n ASP 33 N 0.61 1.93 0.00 0.00 -0.08 -1.26 -0.62 116.55 117.12 1chp n ASP 33 Ca 0.04 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.42 1chp n ASP 33 Cb 0.37 -1.16 0.00 0.00 2.34 0.00 0.00 41.12 42.67 1chp n ASP 33 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1chp n LYS 34 N 3.76 -0.62 -2.71 -0.67 4.76 -1.26 -4.78 118.16 116.64 1chp n LYS 34 Ca 0.22 0.15 -0.05 0.00 -2.87 0.00 0.00 58.31 55.77 1chp n LYS 34 Cb 0.16 -3.93 0.04 0.00 -1.84 0.00 0.00 35.03 29.46 1chp n LYS 34 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1chp n ARG 35 N -1.29 1.95 -2.65 1.97 3.00 0.21 -5.00 116.66 114.84 1chp n ARG 35 Ca 0.00 -3.59 -0.42 0.00 -0.00 0.00 0.00 57.85 53.84 1chp n ARG 35 Cb 0.15 -1.67 -0.03 0.00 0.00 0.00 0.00 32.46 30.91 1chp n ARG 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1chp s GLU 36 N -3.71 3.54 0.31 -0.14 8.01 -1.11 -4.14 118.70 121.47 1chp s GLU 36 Ca 0.31 -1.18 -0.05 0.00 0.01 0.00 0.00 54.97 54.06 1chp s GLU 36 Cb 0.35 -5.12 -0.00 0.00 -4.31 0.00 0.00 34.13 25.04 1chp s GLU 36 CO -0.02 -2.09 0.46 0.00 0.01 0.00 0.00 175.26 173.61 1chp s MET 37 N 4.50 1.79 0.02 1.61 0.23 -1.05 -4.37 119.30 122.04 1chp s MET 37 Ca 0.41 -1.64 0.04 0.00 -1.03 0.00 0.00 55.69 53.47 1chp s MET 37 Cb -0.02 0.44 -0.02 0.00 -1.53 0.00 0.00 34.83 33.70 1chp s MET 37 CO -0.07 -0.74 -0.12 0.00 -2.03 0.00 0.00 175.02 172.06 1chp s ALA 38 N -3.31 0.98 -0.04 3.16 0.00 -1.24 -0.91 121.76 120.40 1chp s ALA 38 Ca 0.29 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1chp s ALA 38 Cb -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1chp s ALA 38 CO 0.17 0.20 -0.05 0.42 0.00 0.00 0.00 175.76 176.50 1chp s ILE 39 N -0.59 0.57 0.13 0.00 1.01 0.30 -1.33 121.20 121.30 1chp s ILE 39 Ca 0.02 -0.16 0.09 0.00 0.00 0.00 0.00 60.65 60.59 1chp s ILE 39 Cb -0.06 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 1chp s ILE 39 CO 0.00 0.23 -0.21 0.27 0.00 0.00 0.00 174.94 175.22 1chp s ILE 40 N 0.77 1.88 0.14 2.92 -4.36 -0.77 -0.37 121.20 121.41 1chp s ILE 40 Ca -0.11 -1.71 0.02 0.00 -0.26 0.00 0.00 60.65 58.60 1chp s ILE 40 Cb -0.14 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.79 1chp s ILE 40 CO 0.01 -0.10 -0.05 0.42 0.24 0.00 0.00 174.94 175.45 1chp s THR 41 N -1.40 0.81 0.36 8.37 -4.23 -1.02 -1.18 115.64 117.35 1chp s THR 41 Ca 0.11 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1chp s THR 41 Cb -0.09 -1.89 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 1chp s THR 41 CO 0.06 -0.69 0.06 -0.36 -0.54 0.00 0.00 174.62 173.14 1chp s PHE 42 N -3.56 2.58 0.34 3.99 0.40 -0.51 -0.30 117.98 120.92 1chp s PHE 42 Ca 0.18 -0.48 0.10 0.00 -0.60 0.00 0.00 56.93 56.13 1chp s PHE 42 Cb 0.05 -1.62 0.84 0.00 0.51 0.00 0.00 43.02 42.80 1chp s PHE 42 CO -0.00 0.40 1.81 -0.22 0.70 0.00 0.00 175.22 177.91 1chp h LYS 43 N 1.70 0.65 0.00 0.44 3.64 -1.91 -1.18 116.57 119.91 1chp h LYS 43 Ca -0.43 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1chp h LYS 43 Cb 1.25 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1chp h LYS 43 CO 0.68 0.43 0.00 0.27 -2.27 0.00 0.00 179.45 178.56 1chp n ASN 44 N -4.65 0.00 0.00 4.20 6.94 -1.26 -4.88 115.26 115.61 1chp n ASN 44 Ca 0.21 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 1chp n ASN 44 Cb 0.59 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 1chp n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1chp n GLY 45 N 0.23 1.89 3.71 4.83 0.00 -0.45 -5.07 105.19 110.34 1chp n GLY 45 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1chp n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1chp n ALA 46 N -1.47 2.58 -2.70 4.61 0.00 -1.26 -4.71 120.51 117.55 1chp n ALA 46 Ca 0.00 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.49 1chp n ALA 46 Cb 0.00 -2.54 -0.14 0.00 0.00 0.00 0.00 19.45 16.76 1chp n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1chp s THR 47 N 1.70 2.80 0.07 0.00 2.01 -1.26 -1.43 115.64 119.53 1chp s THR 47 Ca 0.78 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1chp s THR 47 Cb -0.50 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1chp s THR 47 CO 0.34 0.57 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.40 1chp s PHE 48 N -0.30 0.82 0.14 4.92 0.08 -0.32 -4.02 117.98 119.31 1chp s PHE 48 Ca 0.02 -0.67 0.08 0.00 0.12 0.00 0.00 56.93 56.48 1chp s PHE 48 Cb -0.13 -0.48 -0.04 0.00 -0.57 0.00 0.00 43.02 41.81 1chp s PHE 48 CO 0.03 -0.09 -0.18 1.14 -0.10 0.00 0.00 175.22 176.01 1chp s GLN 49 N -2.54 1.20 -0.32 0.44 -2.07 -0.37 -1.84 119.66 114.14 1chp s GLN 49 Ca 0.00 -1.31 -0.10 0.00 -1.82 0.00 0.00 55.36 52.13 1chp s GLN 49 Cb -0.04 -1.29 0.00 0.00 -1.09 0.00 0.00 33.01 30.59 1chp s GLN 49 CO -0.01 0.27 0.15 0.08 -1.32 0.00 0.00 175.29 174.46 1chp s VAL 50 N -1.79 4.53 0.35 3.63 1.01 -0.44 -1.12 120.40 126.57 1chp s VAL 50 Ca 0.12 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 1chp s VAL 50 Cb -0.07 -3.35 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 1chp s VAL 50 CO 0.05 0.01 1.48 1.21 0.00 0.00 0.00 175.10 177.86 1chp n GLU 51 N 4.97 2.59 -1.89 2.72 2.13 -1.26 -3.64 120.64 126.26 1chp n GLU 51 Ca -0.13 0.91 -0.42 0.00 0.66 0.00 0.00 57.16 58.18 1chp n GLU 51 Cb 0.48 -2.63 -0.03 0.00 0.27 0.00 0.00 31.44 29.53 1chp n GLU 51 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1chp s VAL 52 N -0.86 2.45 -0.37 6.31 1.01 -1.26 -4.90 120.40 122.78 1chp s VAL 52 Ca 0.56 0.34 -0.28 0.00 0.00 0.00 0.00 61.98 62.60 1chp s VAL 52 Cb -0.50 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1chp s VAL 52 CO 0.60 0.04 1.94 -2.84 0.00 0.00 0.00 175.10 174.83 1chp s PRO 53 N 0.66 3.08 0.00 2.72 0.02 -1.26 -4.95 135.00 135.27 1chp s PRO 53 Ca 0.68 1.40 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1chp s PRO 53 Cb -0.45 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 29.78 1chp s PRO 53 CO 0.36 -2.16 0.00 0.41 -0.33 0.00 0.00 177.00 175.27 1chp n GLY 54 N 5.57 2.30 0.08 0.52 0.00 -1.26 -5.01 105.19 107.40 1chp n GLY 54 Ca 0.25 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 1chp n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1chp h SER 55 N 0.00 0.14 0.00 1.61 4.64 -2.01 -3.32 113.55 114.62 1chp h SER 55 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1chp h SER 55 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1chp h SER 55 CO 0.00 1.16 0.00 1.67 -0.87 0.00 0.00 176.83 178.79 1chp n GLN 56 N -3.33 0.49 -3.79 4.77 -0.06 -1.26 -4.60 117.38 109.60 1chp n GLN 56 Ca -0.09 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.69 1chp n GLN 56 Cb 1.00 -1.25 -0.17 0.00 -4.06 0.00 0.00 30.24 25.76 1chp n GLN 56 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 1chp s HIS 57 N -0.37 0.61 0.00 3.69 3.76 -1.25 -5.11 115.29 116.63 1chp s HIS 57 Ca 0.00 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 1chp s HIS 57 Cb 0.00 -0.75 0.00 0.00 1.11 0.00 0.00 32.58 32.94 1chp s HIS 57 CO 0.00 -0.30 0.00 -0.89 -0.85 0.00 0.00 174.74 172.70 1chp n ILE 58 N 5.05 0.00 -0.02 0.60 5.41 -1.26 -4.87 119.36 124.27 1chp n ILE 58 Ca -0.09 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.69 1chp n ILE 58 Cb 0.50 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.34 1chp n ILE 58 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1chp n ASP 59 N 0.00 2.35 0.08 4.38 8.00 -1.26 -3.76 116.55 126.34 1chp n ASP 59 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 1chp n ASP 59 Cb 0.00 1.29 -0.07 0.00 -0.02 0.00 0.00 41.12 42.32 1chp n ASP 59 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1chp h SER 60 N 0.00 0.00 1.31 -2.24 4.64 -2.01 -3.18 113.55 112.07 1chp h SER 60 Ca -0.09 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.13 1chp h SER 60 Cb 0.89 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 1chp h SER 60 CO 0.01 0.79 -0.72 -0.61 -0.87 0.00 0.00 176.83 175.43 1chp h GLN 61 N 0.00 0.00 -0.46 4.77 4.15 -1.94 -3.16 115.11 118.47 1chp h GLN 61 Ca -0.04 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.27 1chp h GLN 61 Cb 1.64 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.31 1chp h GLN 61 CO 0.10 0.34 -0.16 0.87 -1.93 0.00 0.00 178.83 178.05 1chp h LYS 62 N 0.00 0.88 -0.23 1.69 1.57 -1.64 -1.81 116.57 117.03 1chp h LYS 62 Ca -0.04 -0.33 -0.16 0.00 -1.87 0.00 0.00 60.65 58.25 1chp h LYS 62 Cb 1.35 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1chp h LYS 62 CO 0.05 0.97 -0.48 1.57 -0.57 0.00 0.00 179.45 180.99 1chp h LYS 63 N 0.78 0.72 -0.15 3.15 2.10 -1.62 -2.55 116.57 119.00 1chp h LYS 63 Ca 0.12 -0.48 -0.04 0.00 -2.00 0.00 0.00 60.65 58.25 1chp h LYS 63 Cb 0.68 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.07 1chp h LYS 63 CO 0.05 1.10 -0.09 0.00 -2.00 0.00 0.00 179.45 178.50 1chp h ALA 64 N 0.62 1.56 -0.38 0.07 0.00 -1.50 0.13 119.26 119.76 1chp h ALA 64 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1chp h ALA 64 Cb 1.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1chp h ALA 64 CO 0.11 0.32 0.05 0.82 0.00 0.00 0.00 179.25 180.54 1chp h ILE 65 N 0.22 1.25 -0.37 0.00 2.04 -1.21 0.18 117.51 119.63 1chp h ILE 65 Ca 0.05 -0.89 -0.10 0.00 1.00 0.00 0.00 64.86 64.92 1chp h ILE 65 Cb 0.31 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1chp h ILE 65 CO 0.02 0.30 -0.17 -0.33 0.00 0.00 0.00 178.15 177.96 1chp h GLU 66 N 0.49 0.69 -0.11 2.37 4.39 -1.01 -2.25 114.58 119.15 1chp h GLU 66 Ca 0.11 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1chp h GLU 66 Cb 0.39 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1chp h GLU 66 CO 0.01 0.83 0.06 -0.09 -1.16 0.00 0.00 179.01 178.65 1chp h ARG 67 N 0.62 0.16 -0.80 2.33 2.43 -0.55 -2.49 114.38 116.07 1chp h ARG 67 Ca 0.10 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.33 1chp h ARG 67 Cb 0.64 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.09 1chp h ARG 67 CO 0.05 0.21 0.46 1.98 -1.51 0.00 0.00 179.97 181.15 1chp h MET 68 N 0.07 0.76 -0.34 0.20 4.05 -0.34 0.21 114.93 119.54 1chp h MET 68 Ca 0.04 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 1chp h MET 68 Cb 0.10 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 1chp h MET 68 CO -0.01 0.50 -0.07 0.87 0.23 0.00 0.00 176.91 178.43 1chp h LYS 69 N 0.79 0.55 -0.25 0.39 1.57 -1.13 -0.83 116.57 117.66 1chp h LYS 69 Ca 0.38 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1chp h LYS 69 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1chp h LYS 69 CO -0.23 0.63 0.00 -0.44 -0.57 0.00 0.00 179.45 178.84 1chp h ASP 70 N 0.52 0.44 -0.18 0.86 3.32 -0.77 -1.75 116.42 118.86 1chp h ASP 70 Ca 0.10 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 56.87 1chp h ASP 70 Cb 0.45 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1chp h ASP 70 CO 0.02 0.64 0.03 0.74 -1.72 0.00 0.00 179.24 178.95 1chp h THR 71 N 0.22 0.91 -0.87 0.35 2.02 -0.61 -1.68 112.91 113.26 1chp h THR 71 Ca 0.07 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 1chp h THR 71 Cb 0.41 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1chp h THR 71 CO 0.01 0.02 0.43 -0.07 0.37 0.00 0.00 175.52 176.28 1chp h LEU 72 N 0.10 1.12 -0.21 2.58 3.38 -1.11 0.16 115.31 121.34 1chp h LEU 72 Ca 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1chp h LEU 72 Cb 0.08 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1chp h LEU 72 CO -0.11 0.94 0.06 -0.09 0.09 0.00 0.00 178.44 179.32 1chp h ARG 73 N 1.23 0.33 -0.09 1.13 2.43 -1.12 -0.92 114.38 117.37 1chp h ARG 73 Ca 0.30 -0.08 -0.16 0.00 -0.81 0.00 0.00 59.98 59.24 1chp h ARG 73 Cb 0.10 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1chp h ARG 73 CO -0.04 0.45 -0.62 0.97 -1.51 0.00 0.00 179.97 179.22 1chp h ILE 74 N 0.16 1.37 -0.67 1.20 6.09 -1.08 -1.94 117.51 122.64 1chp h ILE 74 Ca 0.07 -1.97 -0.06 0.00 -1.37 0.00 0.00 64.86 61.53 1chp h ILE 74 Cb 0.26 1.97 -0.03 0.00 0.47 0.00 0.00 36.82 39.49 1chp h ILE 74 CO -0.00 0.59 0.19 0.00 -3.07 0.00 0.00 178.15 175.86 1chp h ALA 75 N 1.10 1.06 0.00 0.18 0.00 -0.61 -1.30 119.26 119.70 1chp h ALA 75 Ca -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1chp h ALA 75 Cb 1.14 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1chp h ALA 75 CO 0.10 0.63 -0.00 -0.92 0.00 0.00 0.00 179.25 179.06 1chp h TYR 76 N 1.00 -0.00 0.00 0.00 3.20 -1.03 -1.22 116.97 118.92 1chp h TYR 76 Ca 0.22 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1chp h TYR 76 Cb 0.32 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 1chp h TYR 76 CO 0.02 0.30 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.62 1chp h LEU 77 N -0.30 0.00 -1.84 2.82 3.38 -1.21 -2.59 115.31 115.57 1chp h LEU 77 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1chp h LEU 77 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1chp h LEU 77 CO 0.00 0.15 0.00 0.35 0.09 0.00 0.00 178.44 179.03 1chp n THR 78 N -4.31 0.18 -3.70 0.22 -2.24 -0.50 -4.97 114.28 98.95 1chp n THR 78 Ca -0.03 -0.53 -0.26 0.00 -2.27 0.00 0.00 64.05 60.97 1chp n THR 78 Cb 0.22 1.09 0.06 0.00 -2.10 0.00 0.00 70.33 69.60 1chp n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1chp n GLU 79 N 1.13 -6.96 -2.55 -0.78 1.02 -0.76 -4.96 120.64 106.78 1chp n GLU 79 Ca 0.17 0.74 -0.38 0.00 -0.02 0.00 0.00 57.16 57.67 1chp n GLU 79 Cb 0.54 -5.72 -0.04 0.00 -0.02 0.00 0.00 31.44 26.19 1chp n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1chp s ALA 80 N -3.33 3.23 -0.33 0.62 0.00 -0.53 -4.82 121.76 116.59 1chp s ALA 80 Ca 0.56 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 1chp s ALA 80 Cb -0.26 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1chp s ALA 80 CO 0.77 -0.13 1.06 0.21 0.00 0.00 0.00 175.76 177.66 1chp s LYS 81 N -1.97 4.02 -0.11 0.00 2.20 -1.26 -4.19 119.74 118.43 1chp s LYS 81 Ca 0.51 0.98 -0.22 0.00 -0.36 0.00 0.00 55.97 56.88 1chp s LYS 81 Cb -0.26 -3.75 -0.03 0.00 -1.51 0.00 0.00 37.83 32.28 1chp s LYS 81 CO 0.33 -0.93 0.63 0.14 -0.36 0.00 0.00 175.35 175.16 1chp s VAL 82 N 3.67 5.07 -0.05 4.02 -7.23 -0.67 -3.27 120.40 121.93 1chp s VAL 82 Ca 0.44 1.27 -0.00 0.00 -1.81 0.00 0.00 61.98 61.88 1chp s VAL 82 Cb -0.12 -3.97 -0.00 0.00 0.56 0.00 0.00 36.38 32.85 1chp s VAL 82 CO 0.17 0.23 0.03 -0.08 -0.31 0.00 0.00 175.10 175.14 1chp h GLU 83 N 6.94 -0.02 -5.15 4.82 4.81 -1.06 -0.58 114.58 124.34 1chp h GLU 83 Ca -0.38 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.49 1chp h GLU 83 Cb 1.18 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.38 1chp h GLU 83 CO 0.76 -0.01 -0.74 0.15 -0.73 0.00 0.00 179.01 178.44 1chp s LYS 84 N -1.36 0.92 -0.04 1.92 1.02 -1.15 0.13 119.74 121.18 1chp s LYS 84 Ca -0.00 -1.19 0.03 0.00 0.02 0.00 0.00 55.97 54.83 1chp s LYS 84 Cb 0.00 -0.69 0.00 0.00 -0.52 0.00 0.00 37.83 36.62 1chp s LYS 84 CO 0.01 0.12 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.92 1chp s LEU 85 N -2.45 1.81 -0.25 3.17 1.43 0.17 -1.72 118.68 120.85 1chp s LEU 85 Ca 0.07 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 1chp s LEU 85 Cb -0.04 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.40 1chp s LEU 85 CO 0.01 0.10 0.07 0.00 0.23 0.00 0.00 176.35 176.76 1chp s VAL 87 N 1.61 1.36 -0.28 0.00 -7.23 -0.14 -0.46 120.40 115.26 1chp s VAL 87 Ca 0.06 -2.02 -0.22 0.00 -1.81 0.00 0.00 61.98 57.99 1chp s VAL 87 Cb -0.15 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 1chp s VAL 87 CO 0.04 -0.63 0.70 0.26 -0.31 0.00 0.00 175.10 175.15 1chp s TRP 88 N -2.96 3.25 -2.35 2.82 0.51 0.79 -0.31 118.94 120.69 1chp s TRP 88 Ca 0.16 0.81 0.23 0.00 -2.12 0.00 0.00 56.10 55.18 1chp s TRP 88 Cb -0.00 -3.00 0.84 0.00 -0.81 0.00 0.00 33.47 30.49 1chp s TRP 88 CO 0.03 -0.43 1.61 0.27 -0.51 0.00 0.00 176.95 177.91 1chp n ASN 89 N 5.92 1.63 -0.45 2.95 0.23 0.92 -2.44 115.26 124.02 1chp n ASN 89 Ca 0.01 -1.65 0.10 0.00 -0.53 0.00 0.00 54.58 52.51 1chp n ASN 89 Cb 0.48 -0.07 0.38 0.00 -2.08 0.00 0.00 39.78 38.49 1chp n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1chp n ASN 90 N 0.29 1.36 -4.35 0.53 6.94 -1.26 -4.83 115.26 113.93 1chp n ASN 90 Ca 0.17 -1.69 -0.26 0.00 -0.02 0.00 0.00 54.58 52.78 1chp n ASN 90 Cb 0.34 -0.10 -0.12 0.00 -2.36 0.00 0.00 39.78 37.54 1chp n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1chp s LYS 91 N -1.81 1.31 -0.14 -3.83 -0.14 -1.25 -5.11 119.74 108.77 1chp s LYS 91 Ca 0.30 -1.32 -0.01 0.00 -1.36 0.00 0.00 55.97 53.58 1chp s LYS 91 Cb 0.16 -1.65 0.04 0.00 -1.68 0.00 0.00 37.83 34.70 1chp s LYS 91 CO 0.24 0.38 -0.01 0.99 -0.76 0.00 0.00 175.35 176.18 1chp s THR 92 N -1.30 0.69 0.83 2.17 2.01 -1.26 -3.05 115.64 115.73 1chp s THR 92 Ca 0.13 -0.32 -0.12 0.00 0.31 0.00 0.00 61.69 61.68 1chp s THR 92 Cb -0.09 -0.94 0.10 0.00 0.01 0.00 0.00 72.50 71.58 1chp s THR 92 CO 0.06 0.10 1.17 -2.84 -0.69 0.00 0.00 174.62 172.43 1chp s PRO 93 N 1.82 1.53 0.34 4.92 0.02 -1.26 -5.07 135.00 137.30 1chp s PRO 93 Ca 0.02 1.63 -0.29 0.00 0.02 0.00 0.00 61.00 62.39 1chp s PRO 93 Cb -0.14 -1.78 -0.11 0.00 0.02 0.00 0.00 34.50 32.49 1chp s PRO 93 CO -0.07 -2.27 1.53 0.72 -0.33 0.00 0.00 177.00 176.58 1chp n HIS 94 N -3.57 2.91 -3.33 6.54 8.25 -1.17 -4.55 115.22 120.30 1chp n HIS 94 Ca 0.12 0.36 -0.38 0.00 -0.26 0.00 0.00 57.72 57.57 1chp n HIS 94 Cb 0.51 -2.56 -0.06 0.00 1.12 0.00 0.00 29.99 29.00 1chp n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1chp s ALA 95 N -0.61 3.48 0.01 -1.41 0.00 -1.02 -1.24 121.76 120.97 1chp s ALA 95 Ca 0.58 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 1chp s ALA 95 Cb -0.49 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 1chp s ALA 95 CO 0.57 0.01 1.28 0.42 0.00 0.00 0.00 175.76 178.04 1chp s ILE 96 N 0.58 3.94 -0.21 0.00 1.01 -0.27 -0.15 121.20 126.10 1chp s ILE 96 Ca 0.25 1.34 0.01 0.00 0.00 0.00 0.00 60.65 62.26 1chp s ILE 96 Cb -0.15 -3.86 -0.14 0.00 0.01 0.00 0.00 42.46 38.32 1chp s ILE 96 CO 0.10 0.04 -0.19 0.00 0.00 0.00 0.00 174.94 174.89 1chp n ALA 97 N 4.77 1.54 -2.88 9.38 0.00 0.39 -4.82 120.51 128.89 1chp n ALA 97 Ca 0.11 -0.91 -0.10 0.00 0.00 0.00 0.00 53.44 52.54 1chp n ALA 97 Cb 0.45 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 1chp n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1chp s ALA 98 N -2.42 -0.72 0.01 0.00 0.00 -0.90 -4.99 121.76 112.74 1chp s ALA 98 Ca -0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1chp s ALA 98 Cb 0.07 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1chp s ALA 98 CO 0.49 -0.61 0.01 -1.50 0.00 0.00 0.00 175.76 174.14 1chp s ILE 99 N -3.82 0.09 -0.01 0.00 2.07 -1.26 -1.85 121.20 116.41 1chp s ILE 99 Ca 0.04 -0.75 0.01 0.00 -1.41 0.00 0.00 60.65 58.54 1chp s ILE 99 Cb 0.03 -0.26 0.00 0.00 0.13 0.00 0.00 42.46 42.36 1chp s ILE 99 CO -0.11 -0.41 -0.04 -0.94 -1.91 0.00 0.00 174.94 171.52 1chp s SER 100 N -1.25 0.55 -0.05 4.50 1.04 -0.70 -5.00 113.70 112.80 1chp s SER 100 Ca -0.14 -0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.26 1chp s SER 100 Cb -0.08 -0.09 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 1chp s SER 100 CO -0.00 0.04 -0.18 -0.04 0.98 0.00 0.00 173.24 174.04 1chp s MET 101 N 0.03 1.91 -0.22 4.02 -1.94 -1.26 -0.45 119.30 121.38 1chp s MET 101 Ca 0.00 -0.64 -0.04 0.00 -1.71 0.00 0.00 55.69 53.31 1chp s MET 101 Cb -0.03 -1.64 0.10 0.00 2.01 0.00 0.00 34.83 35.27 1chp s MET 101 CO -0.00 0.24 0.21 0.00 -0.01 0.00 0.00 175.02 175.46 1chp s ALA 102 N 0.07 -0.13 0.00 3.03 0.00 -1.20 -4.87 121.76 118.66 1chp s ALA 102 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1chp s ALA 102 Cb -0.12 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1chp s ALA 102 CO 0.03 -1.33 0.00 0.27 0.00 0.00 0.00 175.76 174.73