#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1chp s PRO 2 N 0.00 3.95 0.00 -2.82 0.02 -1.26 -4.95 135.00 129.95 1chp s PRO 2 Ca 0.00 1.90 0.22 0.00 0.02 0.00 0.00 61.00 63.14 1chp s PRO 2 Cb 0.00 -2.63 0.06 0.00 0.02 0.00 0.00 34.50 31.95 1chp s PRO 2 CO 0.00 -0.42 1.10 1.04 -0.33 0.00 0.00 177.00 178.39 1chp n GLN 3 N -0.05 1.63 -3.99 5.54 6.02 -1.26 -4.92 117.38 120.35 1chp n GLN 3 Ca 0.05 -1.29 -0.10 0.00 -0.01 0.00 0.00 57.00 55.64 1chp n GLN 3 Cb 0.46 -1.43 -0.04 0.00 1.02 0.00 0.00 30.24 30.25 1chp n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1chp s ASN 4 N -2.16 0.09 0.22 1.08 4.22 -1.26 -5.08 114.94 112.06 1chp s ASN 4 Ca 0.21 -1.04 -0.03 0.00 -2.14 0.00 0.00 52.86 49.86 1chp s ASN 4 Cb 0.18 0.63 0.21 0.00 1.28 0.00 0.00 41.25 43.55 1chp s ASN 4 CO 0.44 -1.23 1.64 -0.29 -2.04 0.00 0.00 177.10 175.61 1chp h ILE 5 N 2.19 1.27 -0.01 0.54 2.10 -1.97 -2.54 117.51 119.09 1chp h ILE 5 Ca -0.27 -1.34 0.00 0.00 1.08 0.00 0.00 64.86 64.33 1chp h ILE 5 Cb 1.25 1.25 -0.00 0.00 -1.09 0.00 0.00 36.82 38.23 1chp h ILE 5 CO 0.36 0.44 0.00 0.74 -1.08 0.00 0.00 178.15 178.62 1chp h THR 6 N 0.63 1.00 -0.32 2.19 2.02 -1.99 -0.77 112.91 115.67 1chp h THR 6 Ca 0.09 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1chp h THR 6 Cb 0.74 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1chp h THR 6 CO 0.06 0.00 0.15 0.44 0.37 0.00 0.00 175.52 176.54 1chp h ASP 7 N 0.01 0.43 -0.59 4.18 3.32 -1.98 -2.93 116.42 118.86 1chp h ASP 7 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1chp h ASP 7 Cb 0.00 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1chp h ASP 7 CO -0.00 0.45 0.38 0.25 -1.72 0.00 0.00 179.24 178.60 1chp h LEU 8 N 0.38 0.69 -1.39 1.55 6.46 -1.36 -2.88 115.31 118.77 1chp h LEU 8 Ca 0.11 -0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1chp h LEU 8 Cb 0.14 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 1chp h LEU 8 CO -0.01 0.52 0.44 0.00 -0.62 0.00 0.00 178.44 178.77 1chp n ALA 10 N -2.44 2.02 1.17 0.00 0.00 -1.09 -2.41 120.51 117.76 1chp n ALA 10 Ca 0.08 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1chp n ALA 10 Cb 0.12 -1.26 0.23 0.00 0.00 0.00 0.00 19.45 18.54 1chp n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1chp n GLU 11 N -1.10 1.40 -4.26 0.00 4.07 -0.92 -4.94 120.64 114.89 1chp n GLU 11 Ca 0.11 -1.02 -0.25 0.00 -0.06 0.00 0.00 57.16 55.93 1chp n GLU 11 Cb 0.08 -1.48 -0.08 0.00 -0.06 0.00 0.00 31.44 29.90 1chp n GLU 11 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1chp s TYR 12 N -2.30 2.58 -0.11 4.31 2.02 -1.01 -5.12 117.35 117.72 1chp s TYR 12 Ca 0.26 -0.58 -0.11 0.00 -0.37 0.00 0.00 57.07 56.26 1chp s TYR 12 Cb 0.19 -1.86 -0.05 0.00 -0.40 0.00 0.00 41.96 39.85 1chp s TYR 12 CO 0.46 0.28 0.25 -1.58 -1.57 0.00 0.00 175.55 173.39 1chp s HIS 13 N -2.61 3.58 -1.35 2.71 5.65 -1.26 -4.37 115.29 117.64 1chp s HIS 13 Ca 0.39 0.66 -0.09 0.00 0.25 0.00 0.00 55.06 56.27 1chp s HIS 13 Cb 0.05 -2.17 0.01 0.00 -1.18 0.00 0.00 32.58 29.29 1chp s HIS 13 CO 0.21 0.53 1.18 0.09 -0.65 0.00 0.00 174.74 176.11 1chp n ASN 14 N 2.51 -6.38 -4.94 9.88 3.02 -1.26 -4.90 115.26 113.20 1chp n ASN 14 Ca -0.16 -0.54 -0.19 0.00 -0.03 0.00 0.00 54.58 53.67 1chp n ASN 14 Cb 0.53 -5.01 -0.01 0.00 -0.61 0.00 0.00 39.78 34.68 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 -3.32 3.07 -0.24 3.41 -4.23 -1.26 -1.09 115.64 111.98 1chp s THR 15 Ca 0.59 -1.16 -0.24 0.00 -1.18 0.00 0.00 61.69 59.69 1chp s THR 15 Cb -0.26 -3.07 0.07 0.00 1.34 0.00 0.00 72.50 70.58 1chp s THR 15 CO 0.72 -0.04 0.69 -1.58 -0.54 0.00 0.00 174.62 173.87 1chp s GLN 16 N -4.21 0.82 -0.07 3.99 0.74 -0.30 -4.81 119.66 115.82 1chp s GLN 16 Ca 0.50 0.91 -0.13 0.00 0.05 0.00 0.00 55.36 56.69 1chp s GLN 16 Cb -0.07 0.40 -0.05 0.00 1.10 0.00 0.00 33.01 34.39 1chp s GLN 16 CO 0.30 -0.11 0.32 0.42 -0.55 0.00 0.00 175.29 175.66 1chp s ILE 17 N 0.25 5.22 -0.10 -2.34 -1.09 -1.26 -1.35 121.20 120.53 1chp s ILE 17 Ca -0.01 0.62 0.04 0.00 -2.23 0.00 0.00 60.65 59.07 1chp s ILE 17 Cb -0.04 -3.62 -0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1chp s ILE 17 CO 0.02 0.53 -0.24 -1.00 -1.23 0.00 0.00 174.94 173.02 1chp s HIS 18 N -0.62 2.55 -0.33 3.97 3.76 0.10 -4.97 115.29 119.75 1chp s HIS 18 Ca 0.20 -1.01 -0.10 0.00 -0.15 0.00 0.00 55.06 54.00 1chp s HIS 18 Cb -0.15 -1.70 -0.00 0.00 1.11 0.00 0.00 32.58 31.84 1chp s HIS 18 CO 0.09 -0.40 0.17 0.99 -0.85 0.00 0.00 174.74 174.75 1chp s THR 19 N 0.28 4.69 -0.22 1.30 2.01 -1.26 -1.22 115.64 121.23 1chp s THR 19 Ca -0.17 -0.47 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 1chp s THR 19 Cb -0.18 -3.44 -0.09 0.00 0.01 0.00 0.00 72.50 68.81 1chp s THR 19 CO 0.08 0.00 -0.31 0.18 -0.69 0.00 0.00 174.62 173.88 1chp n LEU 20 N 5.00 1.74 -3.79 4.42 7.99 0.45 -5.00 117.00 127.80 1chp n LEU 20 Ca -0.13 0.30 -0.26 0.00 -0.01 0.00 0.00 56.01 55.91 1chp n LEU 20 Cb 0.49 -0.71 0.01 0.00 -0.11 0.00 0.00 43.42 43.10 1chp n LEU 20 CO 0.35 0.32 -0.14 0.59 -1.51 0.00 0.00 177.39 177.00 1chp n ASN 21 N -4.14 -2.01 -3.46 -1.43 5.03 0.62 -4.96 115.26 104.91 1chp n ASN 21 Ca -0.40 -0.95 -0.10 0.00 0.87 0.00 0.00 54.58 54.00 1chp n ASN 21 Cb 0.75 -3.48 -0.02 0.00 -1.02 0.00 0.00 39.78 36.01 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 -4.11 -0.47 0.61 6.41 2.15 -0.74 -4.89 116.67 115.63 1chp s ASP 22 Ca 0.14 0.01 -0.12 0.00 0.43 0.00 0.00 52.55 53.01 1chp s ASP 22 Cb -0.05 0.49 -0.04 0.00 -0.30 0.00 0.00 42.92 43.02 1chp s ASP 22 CO 0.86 -0.78 1.03 -1.59 -0.17 0.00 0.00 175.17 174.51 1chp s LYS 23 N -3.37 3.51 0.11 4.34 -2.85 -1.26 -0.76 119.74 119.46 1chp s LYS 23 Ca 0.03 0.86 -0.31 0.00 -1.00 0.00 0.00 55.97 55.54 1chp s LYS 23 Cb -0.01 -2.07 -0.08 0.00 -2.06 0.00 0.00 37.83 33.61 1chp s LYS 23 CO -0.11 -0.64 1.38 0.42 0.10 0.00 0.00 175.35 176.51 1chp s ILE 24 N -3.01 3.33 0.03 3.79 1.01 -1.26 -4.66 121.20 120.44 1chp s ILE 24 Ca 0.57 0.96 -0.18 0.00 0.00 0.00 0.00 60.65 62.00 1chp s ILE 24 Cb -0.12 -3.61 -0.23 0.00 0.01 0.00 0.00 42.46 38.51 1chp s ILE 24 CO 0.49 0.08 1.14 0.15 0.00 0.00 0.00 174.94 176.80 1chp h PHE 25 N 6.78 0.77 -3.56 3.97 3.57 -1.01 -3.48 116.94 123.98 1chp h PHE 25 Ca -0.42 -0.41 -0.11 0.00 3.53 0.00 0.00 57.97 60.56 1chp h PHE 25 Cb 1.21 -0.09 -0.18 0.00 2.79 0.00 0.00 35.95 39.68 1chp h PHE 25 CO 0.66 1.23 -0.41 -1.54 -2.23 0.00 0.00 178.31 176.02 1chp s SER 26 N -6.92 0.04 -0.08 0.41 1.04 -1.07 -4.97 113.70 102.15 1chp s SER 26 Ca -0.12 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1chp s SER 26 Cb 0.05 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1chp s SER 26 CO 0.86 -0.54 -0.06 -0.47 0.98 0.00 0.00 173.24 174.00 1chp s TYR 27 N -2.47 1.12 -0.05 5.02 5.04 -1.26 -1.97 117.35 122.77 1chp s TYR 27 Ca -0.06 -0.44 0.06 0.00 -2.44 0.00 0.00 57.07 54.20 1chp s TYR 27 Cb -0.02 -0.96 -0.01 0.00 0.35 0.00 0.00 41.96 41.33 1chp s TYR 27 CO -0.03 -0.34 -0.25 0.99 -1.34 0.00 0.00 175.55 174.58 1chp s THR 28 N 1.30 2.07 -0.03 4.34 2.01 0.45 -4.99 115.64 120.79 1chp s THR 28 Ca -0.04 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 60.93 1chp s THR 28 Cb -0.14 -1.74 -0.00 0.00 0.01 0.00 0.00 72.50 70.63 1chp s THR 28 CO -0.03 0.57 -0.12 -0.70 -0.69 0.00 0.00 174.62 173.65 1chp s GLU 29 N -0.21 1.18 -0.03 4.92 2.12 -1.26 -0.75 118.70 124.67 1chp s GLU 29 Ca -0.02 -0.42 0.03 0.00 0.36 0.00 0.00 54.97 54.92 1chp s GLU 29 Cb -0.13 -1.09 0.00 0.00 0.26 0.00 0.00 34.13 33.17 1chp s GLU 29 CO 0.03 0.19 -0.11 0.45 -0.54 0.00 0.00 175.26 175.28 1chp s SER 30 N 0.02 1.51 0.00 -1.70 0.15 0.13 -5.00 113.70 108.82 1chp s SER 30 Ca -0.01 -0.24 0.09 0.00 0.70 0.00 0.00 55.95 56.49 1chp s SER 30 Cb -0.08 -0.42 0.15 0.00 -1.71 0.00 0.00 66.02 63.96 1chp s SER 30 CO 0.01 0.09 0.98 0.00 1.20 0.00 0.00 173.24 175.51 1chp n LEU 31 N 3.28 2.22 -4.77 3.45 -0.00 -1.26 -2.42 117.00 117.49 1chp n LEU 31 Ca -0.18 -1.42 -0.40 0.00 -0.00 0.00 0.00 56.01 54.00 1chp n LEU 31 Cb 0.54 -0.08 -0.01 0.00 -0.00 0.00 0.00 43.42 43.86 1chp n LEU 31 CO 0.25 0.50 1.00 0.00 -0.00 0.00 0.00 177.39 179.14 1chp s ALA 32 N -0.88 3.44 -0.15 1.47 0.00 -1.26 -4.80 121.76 119.58 1chp s ALA 32 Ca 0.15 1.31 -0.40 0.00 0.00 0.00 0.00 51.96 53.03 1chp s ALA 32 Cb 0.09 -3.51 -0.17 0.00 0.00 0.00 0.00 23.12 19.54 1chp s ALA 32 CO 0.13 -0.77 1.53 -3.47 0.00 0.00 0.00 175.76 173.17 1chp n ASP 33 N 0.54 1.78 0.00 0.00 2.03 -1.26 -0.50 116.55 119.14 1chp n ASP 33 Ca 0.01 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.43 1chp n ASP 33 Cb 0.42 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 1chp n ASP 33 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1chp n LYS 34 N 3.87 -0.30 -1.20 -0.67 4.76 -1.26 -4.78 118.16 118.57 1chp n LYS 34 Ca 0.24 0.08 -0.01 0.00 -2.87 0.00 0.00 58.31 55.74 1chp n LYS 34 Cb 0.13 -3.73 0.13 0.00 -1.84 0.00 0.00 35.03 29.71 1chp n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1chp n ARG 35 N -1.67 1.70 -2.20 1.97 5.12 0.35 -4.97 116.66 116.96 1chp n ARG 35 Ca 0.00 -3.25 -0.34 0.00 -1.93 0.00 0.00 57.85 52.33 1chp n ARG 35 Cb 0.08 -1.45 -0.04 0.00 -1.16 0.00 0.00 32.46 29.89 1chp n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1chp s GLU 36 N -2.74 2.83 0.35 5.56 8.01 -1.16 -4.42 118.70 127.13 1chp s GLU 36 Ca 0.39 -0.20 -0.07 0.00 0.01 0.00 0.00 54.97 55.10 1chp s GLU 36 Cb 0.38 -4.84 0.02 0.00 -4.31 0.00 0.00 34.13 25.38 1chp s GLU 36 CO -0.07 -2.85 0.56 0.00 0.01 0.00 0.00 175.26 172.91 1chp s MET 37 N 6.50 1.97 -0.01 1.61 0.23 -1.02 -4.33 119.30 124.26 1chp s MET 37 Ca 0.61 -1.62 0.03 0.00 -1.03 0.00 0.00 55.69 53.68 1chp s MET 37 Cb -0.07 0.50 -0.01 0.00 -1.53 0.00 0.00 34.83 33.72 1chp s MET 37 CO 0.05 -0.85 -0.11 0.00 -2.03 0.00 0.00 175.02 172.08 1chp s ALA 38 N -2.94 0.91 -0.05 3.16 0.00 -1.26 -0.69 121.76 120.89 1chp s ALA 38 Ca 0.26 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.77 1chp s ALA 38 Cb -0.02 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1chp s ALA 38 CO 0.17 0.22 -0.10 0.42 0.00 0.00 0.00 175.76 176.47 1chp s ILE 39 N -0.26 0.90 0.07 0.00 1.01 0.07 -1.93 121.20 121.06 1chp s ILE 39 Ca 0.04 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.40 1chp s ILE 39 Cb -0.04 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1chp s ILE 39 CO -0.00 0.29 -0.21 0.27 0.00 0.00 0.00 174.94 175.28 1chp s ILE 40 N 0.52 1.75 0.19 2.92 -4.36 -0.47 -0.41 121.20 121.34 1chp s ILE 40 Ca -0.10 -1.36 0.05 0.00 -0.26 0.00 0.00 60.65 58.98 1chp s ILE 40 Cb -0.13 -1.54 -0.05 0.00 1.25 0.00 0.00 42.46 41.99 1chp s ILE 40 CO 0.02 0.12 -0.08 0.42 0.24 0.00 0.00 174.94 175.66 1chp s THR 41 N -0.94 1.26 0.31 8.37 -4.23 -0.83 -1.18 115.64 118.40 1chp s THR 41 Ca 0.08 -2.08 0.09 0.00 -1.18 0.00 0.00 61.69 58.59 1chp s THR 41 Cb -0.09 -2.08 -0.06 0.00 1.34 0.00 0.00 72.50 71.61 1chp s THR 41 CO 0.03 -0.56 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.08 1chp s PHE 42 N -3.27 2.26 0.26 3.99 0.08 -0.69 -0.36 117.98 120.24 1chp s PHE 42 Ca 0.22 -0.52 -0.01 0.00 0.12 0.00 0.00 56.93 56.73 1chp s PHE 42 Cb 0.03 -1.24 0.51 0.00 -0.57 0.00 0.00 43.02 41.75 1chp s PHE 42 CO 0.05 0.52 1.78 -0.22 -0.10 0.00 0.00 175.22 177.25 1chp h LYS 43 N 2.14 0.66 0.00 0.44 3.64 -1.90 -1.21 116.57 120.34 1chp h LYS 43 Ca -0.41 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 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 0.44 0.00 0.27 -2.27 0.00 0.00 179.45 178.57 1chp n ASN 44 N -4.83 0.00 0.00 4.20 6.94 -1.26 -4.83 115.26 115.49 1chp n ASN 44 Ca 0.16 -0.56 0.00 0.00 -0.02 0.00 0.00 54.58 54.16 1chp n ASN 44 Cb 0.40 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 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 -0.13 2.28 3.70 4.83 0.00 -0.46 -5.05 105.19 110.38 1chp n GLY 45 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.65 1.98 -3.04 4.61 0.00 -1.26 -4.74 120.51 116.41 1chp n ALA 46 Ca 0.00 0.41 -0.28 0.00 0.00 0.00 0.00 53.44 53.57 1chp n ALA 46 Cb 0.00 -2.40 -0.16 0.00 0.00 0.00 0.00 19.45 16.88 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 0.48 1.60 0.14 0.00 2.01 -1.26 -1.71 115.64 116.90 1chp s THR 47 Ca 0.71 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.96 1chp s THR 47 Cb -0.58 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1chp s THR 47 CO 0.42 0.46 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.36 1chp s PHE 48 N 0.18 1.18 0.20 4.92 0.08 -0.33 -3.96 117.98 120.26 1chp s PHE 48 Ca -0.09 -0.80 0.03 0.00 0.12 0.00 0.00 56.93 56.19 1chp s PHE 48 Cb -0.14 -0.62 -0.05 0.00 -0.57 0.00 0.00 43.02 41.64 1chp s PHE 48 CO 0.04 0.02 -0.00 1.14 -0.10 0.00 0.00 175.22 176.32 1chp s GLN 49 N -3.77 1.23 -0.18 0.44 -2.07 -0.61 -1.37 119.66 113.33 1chp s GLN 49 Ca 0.16 -1.61 -0.01 0.00 -1.82 0.00 0.00 55.36 52.07 1chp s GLN 49 Cb 0.03 -0.46 -0.00 0.00 -1.09 0.00 0.00 33.01 31.49 1chp s GLN 49 CO -0.00 -0.11 -0.11 0.08 -1.32 0.00 0.00 175.29 173.83 1chp s VAL 50 N -3.53 2.98 0.68 3.63 1.01 -0.81 -1.19 120.40 123.18 1chp s VAL 50 Ca 0.26 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 1chp s VAL 50 Cb 0.06 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1chp s VAL 50 CO 0.07 0.48 1.21 -0.62 0.00 0.00 0.00 175.10 176.24 1chp n GLU 51 N 4.29 0.85 -2.44 2.72 1.02 -1.26 -4.05 120.64 121.77 1chp n GLU 51 Ca -0.19 0.35 -0.41 0.00 -0.02 0.00 0.00 57.16 56.89 1chp n GLU 51 Cb 0.51 -2.45 -0.04 0.00 -0.02 0.00 0.00 31.44 29.44 1chp n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1chp s VAL 52 N -1.58 3.62 -0.98 2.62 1.01 -1.26 -4.91 120.40 118.91 1chp s VAL 52 Ca 0.80 1.45 -0.23 0.00 0.00 0.00 0.00 61.98 63.99 1chp s VAL 52 Cb -0.36 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1chp s VAL 52 CO 0.44 0.27 1.71 -2.16 0.00 0.00 0.00 175.10 175.36 1chp s PRO 53 N -0.67 3.09 0.87 2.72 0.04 -1.26 -4.97 135.00 134.82 1chp s PRO 53 Ca 0.49 -0.78 -0.12 0.00 0.04 0.00 0.00 61.00 60.63 1chp s PRO 53 Cb -0.32 -5.23 0.11 0.00 0.04 0.00 0.00 34.50 29.11 1chp s PRO 53 CO 0.38 -2.81 1.11 0.20 0.04 0.00 0.00 177.00 175.92 1chp s GLY 54 N 6.40 1.60 -0.04 0.56 0.00 -1.26 -4.89 107.32 109.69 1chp s GLY 54 Ca 0.58 -0.33 -0.01 0.00 0.00 0.00 0.00 44.72 44.95 1chp s GLY 54 CO -0.04 0.17 2.35 1.44 0.00 0.00 0.00 173.10 177.02 1chp n SER 55 N -3.68 5.44 0.00 1.64 7.64 -1.26 -2.43 113.62 120.97 1chp n SER 55 Ca 0.07 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.45 1chp n SER 55 Cb 0.57 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1chp n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1chp n GLN 56 N 1.59 1.94 -2.31 1.43 -0.00 -1.26 -5.05 117.38 113.71 1chp n GLN 56 Ca 0.12 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.71 1chp n GLN 56 Cb 0.59 -0.89 -0.03 0.00 -0.00 0.00 0.00 30.24 29.91 1chp n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1chp s HIS 57 N -1.64 3.35 1.33 2.61 3.76 -1.02 -5.03 115.29 118.65 1chp s HIS 57 Ca 0.00 1.43 -0.20 0.00 -0.15 0.00 0.00 55.06 56.14 1chp s HIS 57 Cb 0.00 -3.49 0.33 0.00 1.11 0.00 0.00 32.58 30.54 1chp s HIS 57 CO 0.00 -1.34 0.98 0.42 -0.85 0.00 0.00 174.74 173.95 1chp s ILE 58 N -0.45 1.44 0.06 0.60 1.09 -1.26 -4.80 121.20 117.88 1chp s ILE 58 Ca 0.51 0.00 -0.29 0.00 -1.10 0.00 0.00 60.65 59.78 1chp s ILE 58 Cb -0.35 -2.16 -0.14 0.00 -1.06 0.00 0.00 42.46 38.75 1chp s ILE 58 CO 0.41 0.00 1.44 0.44 -0.10 0.00 0.00 174.94 177.13 1chp h ASP 59 N -3.09 -1.02 0.02 3.58 3.32 -2.02 -3.05 116.42 114.15 1chp h ASP 59 Ca -0.48 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 1chp h ASP 59 Cb 1.33 0.31 -0.00 0.00 0.22 0.00 0.00 39.33 41.20 1chp h ASP 59 CO 0.34 -0.57 -0.01 0.77 -1.72 0.00 0.00 179.24 178.06 1chp h SER 60 N -0.89 0.00 -0.11 6.45 4.64 -2.00 -2.92 113.55 118.73 1chp h SER 60 Ca -0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1chp h SER 60 Cb 0.73 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1chp h SER 60 CO 0.03 0.01 0.03 1.56 -0.87 0.00 0.00 176.83 177.59 1chp h GLN 61 N 0.00 0.17 -0.89 4.77 1.08 -1.88 -1.28 115.11 117.07 1chp h GLN 61 Ca -0.00 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1chp h GLN 61 Cb 0.02 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.37 1chp h GLN 61 CO 0.00 0.35 0.58 0.87 -0.95 0.00 0.00 178.83 179.68 1chp h LYS 62 N -0.03 1.09 -0.27 1.46 1.57 -1.43 -0.27 116.57 118.69 1chp h LYS 62 Ca 0.03 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1chp h LYS 62 Cb 0.25 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1chp h LYS 62 CO 0.00 0.72 -0.48 -0.22 -0.57 0.00 0.00 179.45 178.90 1chp h LYS 63 N 1.12 0.74 -0.10 3.15 3.64 -1.56 -2.14 116.57 121.42 1chp h LYS 63 Ca 0.36 -0.43 -0.11 0.00 -1.27 0.00 0.00 60.65 59.20 1chp h LYS 63 Cb 0.00 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1chp h LYS 63 CO -0.12 1.05 -0.43 0.00 -2.27 0.00 0.00 179.45 177.68 1chp h ALA 64 N 0.88 1.09 -0.53 5.00 0.00 -0.83 -2.10 119.26 122.77 1chp h ALA 64 Ca 0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 1chp h ALA 64 Cb 1.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1chp h ALA 64 CO 0.10 0.60 -0.14 0.82 0.00 0.00 0.00 179.25 180.63 1chp h ILE 65 N 0.19 1.27 -0.61 0.00 2.04 -0.85 -1.70 117.51 117.86 1chp h ILE 65 Ca 0.02 -1.31 -0.08 0.00 1.00 0.00 0.00 64.86 64.49 1chp h ILE 65 Cb 0.84 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1chp h ILE 65 CO 0.07 0.46 0.06 -0.33 0.00 0.00 0.00 178.15 178.40 1chp h GLU 66 N 0.90 1.03 -0.55 2.37 4.39 -1.11 -2.74 114.58 118.86 1chp h GLU 66 Ca 0.13 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 1chp h GLU 66 Cb 0.72 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 1chp h GLU 66 CO 0.06 0.98 0.33 -0.09 -1.16 0.00 0.00 179.01 179.12 1chp h ARG 67 N 0.93 0.75 -0.99 2.33 2.43 -1.20 -2.20 114.38 116.44 1chp h ARG 67 Ca 0.18 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1chp h ARG 67 Cb 0.48 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 1chp h ARG 67 CO 0.02 0.55 0.65 1.98 -1.51 0.00 0.00 179.97 181.67 1chp h MET 68 N 0.74 1.26 -0.49 0.20 4.05 -1.18 0.00 114.93 119.52 1chp h MET 68 Ca 0.20 -0.08 -0.09 0.00 -0.28 0.00 0.00 59.70 59.46 1chp h MET 68 Cb -0.00 -0.29 -0.02 0.00 -0.80 0.00 0.00 31.60 30.49 1chp h MET 68 CO -0.04 0.84 -0.04 0.87 0.23 0.00 0.00 176.91 178.77 1chp h LYS 69 N 1.30 0.85 -0.56 0.39 1.57 -1.15 -1.08 116.57 117.89 1chp h LYS 69 Ca 0.38 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1chp h LYS 69 Cb -0.09 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1chp h LYS 69 CO -0.10 0.87 0.20 -0.44 -0.57 0.00 0.00 179.45 179.41 1chp h ASP 70 N 0.78 0.80 -0.58 0.86 3.32 -0.76 -2.34 116.42 118.49 1chp h ASP 70 Ca 0.14 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1chp h ASP 70 Cb 0.53 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1chp h ASP 70 CO 0.03 0.77 0.30 0.74 -1.72 0.00 0.00 179.24 179.36 1chp h THR 71 N 0.77 1.20 -0.51 0.35 2.02 -0.70 -1.76 112.91 114.28 1chp h THR 71 Ca 0.18 -0.53 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 1chp h THR 71 Cb 0.24 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1chp h THR 71 CO -0.01 0.22 0.02 -0.07 0.37 0.00 0.00 175.52 176.05 1chp h LEU 72 N 0.79 0.86 0.15 2.58 3.38 -1.15 -0.55 115.31 121.37 1chp h LEU 72 Ca 0.20 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1chp h LEU 72 Cb 0.08 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1chp h LEU 72 CO -0.03 0.95 -0.07 -0.09 0.09 0.00 0.00 178.44 179.29 1chp h ARG 73 N 0.75 -0.19 -0.32 1.13 2.43 -1.29 -0.62 114.38 116.26 1chp h ARG 73 Ca 0.15 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1chp h ARG 73 Cb 0.50 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1chp h ARG 73 CO 0.02 -0.03 -0.17 0.97 -1.51 0.00 0.00 179.97 179.25 1chp h ILE 74 N -0.31 1.25 -0.67 1.20 6.09 -1.32 -0.71 117.51 123.05 1chp h ILE 74 Ca -0.02 -1.16 -0.06 0.00 -1.37 0.00 0.00 64.86 62.25 1chp h ILE 74 Cb 0.24 1.19 -0.03 0.00 0.47 0.00 0.00 36.82 38.69 1chp h ILE 74 CO 0.03 0.38 0.19 0.00 -3.07 0.00 0.00 178.15 175.68 1chp h ALA 75 N 1.29 0.87 0.15 0.18 0.00 -0.99 -0.88 119.26 119.88 1chp h ALA 75 Ca 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1chp h ALA 75 Cb 0.59 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1chp h ALA 75 CO 0.04 0.57 -0.07 -0.92 0.00 0.00 0.00 179.25 178.86 1chp h TYR 76 N 0.98 -0.19 -0.10 0.00 3.20 -0.77 -0.98 116.97 119.10 1chp h TYR 76 Ca 0.21 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1chp h TYR 76 Cb 0.32 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1chp h TYR 76 CO 0.02 0.08 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.50 1chp h LEU 77 N -0.46 0.13 -0.80 2.82 3.38 -0.98 -2.17 115.31 117.22 1chp h LEU 77 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1chp h LEU 77 Cb 0.36 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1chp h LEU 77 CO 0.03 0.22 -0.19 0.35 0.09 0.00 0.00 178.44 178.95 1chp n THR 78 N -4.39 0.00 -3.32 0.22 -2.24 -0.35 -4.96 114.28 99.25 1chp n THR 78 Ca -0.01 -0.21 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 1chp n THR 78 Cb 0.19 0.61 0.06 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.18 -6.34 -2.34 -0.78 1.02 -0.57 -4.95 120.64 106.50 1chp n GLU 79 Ca 0.14 0.77 -0.42 0.00 -0.02 0.00 0.00 57.16 57.63 1chp n GLU 79 Cb 0.38 -5.52 -0.03 0.00 -0.02 0.00 0.00 31.44 26.25 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 -3.24 3.46 0.09 0.62 0.00 -0.48 -4.80 121.76 117.41 1chp s ALA 80 Ca 0.45 0.96 -0.31 0.00 0.00 0.00 0.00 51.96 53.07 1chp s ALA 80 Cb -0.20 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 1chp s ALA 80 CO 0.56 -0.44 1.35 0.21 0.00 0.00 0.00 175.76 177.44 1chp s LYS 81 N 0.30 4.34 -0.17 0.00 2.20 -1.26 -4.30 119.74 120.84 1chp s LYS 81 Ca 0.56 2.00 -0.15 0.00 -0.36 0.00 0.00 55.97 58.02 1chp s LYS 81 Cb -0.33 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1chp s LYS 81 CO 0.34 -0.41 0.35 0.08 -0.36 0.00 0.00 175.35 175.34 1chp s VAL 82 N 1.21 5.26 -0.03 4.02 1.01 0.06 -3.93 120.40 128.00 1chp s VAL 82 Ca 0.63 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 1chp s VAL 82 Cb -0.35 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1chp s VAL 82 CO 0.30 0.34 -0.01 -0.08 0.00 0.00 0.00 175.10 175.64 1chp h GLU 83 N 6.94 0.00 -4.82 2.72 4.81 -1.30 0.20 114.58 123.13 1chp h GLU 83 Ca -0.39 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.57 1chp h GLU 83 Cb 1.17 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.40 1chp h GLU 83 CO 0.74 0.00 -0.70 0.15 -0.73 0.00 0.00 179.01 178.47 1chp s LYS 84 N -1.19 0.96 -0.02 1.92 1.02 -1.19 -0.41 119.74 120.81 1chp s LYS 84 Ca -0.01 -1.41 0.02 0.00 0.02 0.00 0.00 55.97 54.59 1chp s LYS 84 Cb 0.00 -0.37 0.01 0.00 -0.52 0.00 0.00 37.83 36.95 1chp s LYS 84 CO 0.02 -0.00 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.87 1chp s LEU 85 N -3.11 1.73 -0.22 3.17 1.43 -0.36 -1.47 118.68 119.85 1chp s LEU 85 Ca 0.15 -0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1chp s LEU 85 Cb 0.04 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 45.79 1chp s LEU 85 CO -0.02 0.03 0.08 0.00 0.23 0.00 0.00 176.35 176.67 1chp s VAL 87 N 1.10 1.11 -0.37 0.00 -7.23 -0.46 -0.27 120.40 114.28 1chp s VAL 87 Ca 0.04 -1.64 -0.22 0.00 -1.81 0.00 0.00 61.98 58.35 1chp s VAL 87 Cb -0.14 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.41 1chp s VAL 87 CO 0.03 -0.47 0.75 0.26 -0.31 0.00 0.00 175.10 175.36 1chp s TRP 88 N -2.22 3.11 -2.01 2.82 0.51 0.28 -1.15 118.94 120.27 1chp s TRP 88 Ca 0.06 0.45 0.06 0.00 -2.12 0.00 0.00 56.10 54.55 1chp s TRP 88 Cb -0.04 -3.37 0.33 0.00 -0.81 0.00 0.00 33.47 29.57 1chp s TRP 88 CO 0.01 -0.74 1.22 0.27 -0.51 0.00 0.00 176.95 177.20 1chp n ASN 89 N 6.36 0.20 -2.00 2.95 0.23 -0.25 -2.62 115.26 120.13 1chp n ASN 89 Ca 0.02 -1.84 -0.10 0.00 -0.53 0.00 0.00 54.58 52.12 1chp n ASN 89 Cb 0.48 -0.02 0.26 0.00 -2.08 0.00 0.00 39.78 38.42 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 -0.47 4.44 -4.04 0.53 6.94 -1.26 -4.89 115.26 116.50 1chp n ASN 90 Ca 0.05 -3.23 -0.08 0.00 -0.02 0.00 0.00 54.58 51.29 1chp n ASN 90 Cb 0.05 -0.76 -0.11 0.00 -2.36 0.00 0.00 39.78 36.61 1chp n ASN 90 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1chp s LYS 91 N -2.89 0.48 -0.15 -3.83 2.47 -1.25 -5.08 119.74 109.49 1chp s LYS 91 Ca 0.52 -0.93 -0.01 0.00 -1.56 0.00 0.00 55.97 53.99 1chp s LYS 91 Cb 0.42 0.12 0.04 0.00 -1.46 0.00 0.00 37.83 36.96 1chp s LYS 91 CO 0.12 -0.07 -0.01 0.99 0.16 0.00 0.00 175.35 176.54 1chp s THR 92 N -2.67 0.74 0.88 3.43 2.01 -1.26 -2.77 115.64 116.00 1chp s THR 92 Ca -0.04 -0.40 -0.10 0.00 0.31 0.00 0.00 61.69 61.46 1chp s THR 92 Cb -0.01 -1.00 0.13 0.00 0.01 0.00 0.00 72.50 71.63 1chp s THR 92 CO -0.05 0.07 1.13 -2.84 -0.69 0.00 0.00 174.62 172.24 1chp s PRO 93 N 1.79 1.28 0.34 4.92 0.02 -1.26 -5.06 135.00 137.04 1chp s PRO 93 Ca 0.02 1.41 -0.29 0.00 0.02 0.00 0.00 61.00 62.16 1chp s PRO 93 Cb -0.15 -1.77 -0.12 0.00 0.02 0.00 0.00 34.50 32.49 1chp s PRO 93 CO -0.07 -2.40 1.49 0.72 -0.33 0.00 0.00 177.00 176.40 1chp n HIS 94 N -4.07 2.81 -3.17 6.54 8.25 -1.11 -4.55 115.22 119.92 1chp n HIS 94 Ca 0.11 0.41 -0.39 0.00 -0.26 0.00 0.00 57.72 57.59 1chp n HIS 94 Cb 0.52 -2.53 -0.05 0.00 1.12 0.00 0.00 29.99 29.05 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 -0.75 3.41 0.10 -1.41 0.00 -1.08 -1.58 121.76 120.45 1chp s ALA 95 Ca 0.57 0.00 -0.31 0.00 0.00 0.00 0.00 51.96 52.23 1chp s ALA 95 Cb -0.50 -2.81 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 1chp s ALA 95 CO 0.59 -0.03 1.31 0.42 0.00 0.00 0.00 175.76 178.05 1chp s ILE 96 N 0.59 3.58 -0.15 0.00 1.01 -0.33 -0.56 121.20 125.34 1chp s ILE 96 Ca 0.32 1.14 0.02 0.00 0.00 0.00 0.00 60.65 62.13 1chp s ILE 96 Cb -0.17 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.47 1chp s ILE 96 CO 0.15 0.09 -0.12 0.00 0.00 0.00 0.00 174.94 175.06 1chp n ALA 97 N 3.90 1.68 -3.16 9.38 0.00 0.62 -4.86 120.51 128.08 1chp n ALA 97 Ca 0.10 -0.64 -0.13 0.00 0.00 0.00 0.00 53.44 52.77 1chp n ALA 97 Cb 0.44 0.15 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.30 -0.97 -0.01 0.00 0.00 -1.02 -4.99 121.76 112.48 1chp s ALA 98 Ca -0.19 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.08 1chp s ALA 98 Cb 0.05 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.49 1chp s ALA 98 CO 0.35 -0.44 -0.03 -1.50 0.00 0.00 0.00 175.76 174.14 1chp s ILE 99 N -2.37 0.29 -0.00 0.00 2.07 -1.26 -0.80 121.20 119.12 1chp s ILE 99 Ca -0.06 -0.12 0.07 0.00 -1.41 0.00 0.00 60.65 59.13 1chp s ILE 99 Cb -0.01 -0.27 -0.03 0.00 0.13 0.00 0.00 42.46 42.29 1chp s ILE 99 CO -0.02 0.10 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.95 1chp s SER 100 N 0.11 3.43 -0.04 4.50 1.04 -0.54 -5.01 113.70 117.18 1chp s SER 100 Ca -0.01 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.02 1chp s SER 100 Cb -0.04 -0.49 0.01 0.00 0.10 0.00 0.00 66.02 65.60 1chp s SER 100 CO -0.00 0.30 -0.12 -0.04 0.98 0.00 0.00 173.24 174.36 1chp s MET 101 N -0.92 1.38 -0.06 4.02 -1.94 -1.26 -0.89 119.30 119.62 1chp s MET 101 Ca 0.12 -0.39 -0.15 0.00 -1.71 0.00 0.00 55.69 53.56 1chp s MET 101 Cb -0.10 -1.21 0.03 0.00 2.01 0.00 0.00 34.83 35.56 1chp s MET 101 CO 0.01 0.10 0.34 0.00 -0.01 0.00 0.00 175.02 175.46 1chp s ALA 102 N 0.38 -0.86 -2.00 3.03 0.00 -1.25 -4.89 121.76 116.16 1chp s ALA 102 Ca -0.08 0.63 0.23 0.00 0.00 0.00 0.00 51.96 52.74 1chp s ALA 102 Cb -0.12 -0.18 1.37 0.00 0.00 0.00 0.00 23.12 24.18 1chp s ALA 102 CO 0.02 -0.23 1.74 0.09 0.00 0.00 0.00 175.76 177.38