#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rng s PRO 2 N 0.00 3.44 0.38 1.20 0.04 -1.26 -4.84 135.00 133.96 2rng s PRO 2 Ca 0.00 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2rng s PRO 2 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2rng s PRO 2 CO 0.00 -0.73 0.00 -0.11 0.04 0.00 0.00 177.00 176.20 2rng n LEU 3 N -1.65 0.00 -4.76 -3.56 0.00 -1.26 -4.70 117.00 101.07 2rng n LEU 3 Ca 0.09 1.16 -0.35 0.00 0.00 0.00 0.00 56.01 56.91 2rng n LEU 3 Cb 0.52 -3.34 0.02 0.00 0.00 0.00 0.00 43.42 40.63 2rng n LEU 3 CO 0.44 -2.22 0.81 -0.63 0.00 0.00 0.00 177.39 175.79 2rng s ILE 4 N -1.82 2.87 0.94 1.96 -1.09 -1.26 -5.01 121.20 117.79 2rng s ILE 4 Ca 0.00 0.53 -0.12 0.00 -2.23 0.00 0.00 60.65 58.83 2rng s ILE 4 Cb 0.00 -3.19 0.16 0.00 -1.58 0.00 0.00 42.46 37.85 2rng s ILE 4 CO 0.00 -0.13 1.12 -2.16 -1.23 0.00 0.00 174.94 172.54 2rng s PRO 5 N -3.39 0.87 -0.13 2.79 0.04 -1.26 -5.01 135.00 128.91 2rng s PRO 5 Ca 0.75 0.35 -0.16 0.00 0.04 0.00 0.00 61.00 61.97 2rng s PRO 5 Cb -0.27 -1.80 -0.25 0.00 0.04 0.00 0.00 34.50 32.21 2rng s PRO 5 CO 0.32 -2.39 0.47 0.00 0.04 0.00 0.00 177.00 175.43 2rng h ALA 6 N -1.64 0.23 -0.90 8.56 0.00 -1.95 -3.35 119.26 120.21 2rng h ALA 6 Ca -0.52 -1.13 0.17 0.00 0.00 0.00 0.00 54.91 53.42 2rng h ALA 6 Cb 1.33 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 19.57 2rng h ALA 6 CO 0.61 0.84 0.48 0.97 0.00 0.00 0.00 179.25 182.14 2rng h ILE 7 N -0.42 0.69 -0.36 0.00 6.09 -1.95 0.14 117.51 121.70 2rng h ILE 7 Ca -0.32 -0.22 -0.00 0.00 -1.37 0.00 0.00 64.86 62.95 2rng h ILE 7 Cb 1.68 -0.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.95 2rng h ILE 7 CO 0.01 0.12 0.21 1.88 -3.07 0.00 0.00 178.15 177.29 2rng h TYR 8 N 0.64 0.47 -3.72 2.19 -1.99 -1.93 -3.35 116.97 109.27 2rng h TYR 8 Ca 0.51 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.73 2rng h TYR 8 Cb 0.76 -0.16 0.03 0.00 2.00 0.00 0.00 36.73 39.37 2rng h TYR 8 CO -0.07 0.32 0.54 0.42 -0.00 0.00 0.00 178.16 179.37 2rng s ILE 9 N -5.38 3.31 -1.62 -2.88 1.01 0.49 -2.59 121.20 113.53 2rng s ILE 9 Ca -0.08 1.25 -0.04 0.00 0.00 0.00 0.00 60.65 61.78 2rng s ILE 9 Cb 0.17 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2rng s ILE 9 CO 0.73 0.27 0.47 0.61 0.00 0.00 0.00 174.94 177.02 2rng n GLY 10 N 1.41 -0.52 0.00 6.18 0.00 0.14 -4.96 105.19 107.44 2rng n GLY 10 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2rng n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rng n ALA 11 N -3.20 0.00 -3.32 4.61 0.00 -0.90 -4.93 120.51 112.77 2rng n ALA 11 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 2rng n ALA 11 Cb 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 2rng n ALA 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2rng s THR 12 N -0.11 -0.57 0.42 0.00 2.01 -1.26 -1.91 115.64 114.21 2rng s THR 12 Ca 0.00 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.60 2rng s THR 12 Cb 0.00 -0.91 0.08 0.00 0.01 0.00 0.00 72.50 71.68 2rng s THR 12 CO 0.00 -0.34 0.58 1.33 -0.69 0.00 0.00 174.62 175.50 2rng n VAL 13 N 5.17 0.00 -1.77 3.82 0.24 0.05 -4.75 118.33 121.10 2rng n VAL 13 Ca 0.02 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 2rng n VAL 13 Cb 0.49 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 2rng n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rng n GLY 14 N 0.50 0.94 0.20 7.63 0.00 -1.25 0.11 105.19 113.32 2rng n GLY 14 Ca 0.10 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 2rng n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rng h PRO 15 N 0.00 0.68 -0.14 1.61 0.13 -1.82 -1.98 132.00 130.49 2rng h PRO 15 Ca 0.00 -0.50 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2rng h PRO 15 Cb 0.00 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.22 2rng h PRO 15 CO 0.00 1.12 -0.04 0.77 -0.23 0.00 0.00 178.00 179.62 2rng h SER 16 N 0.37 0.28 -0.64 1.44 0.02 -1.95 -2.78 113.55 110.29 2rng h SER 16 Ca -0.02 -0.38 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 2rng h SER 16 Cb 1.19 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 2rng h SER 16 CO 0.12 0.59 0.28 0.58 -1.14 0.00 0.00 176.83 177.26 2rng h VAL 17 N -0.04 1.23 0.65 2.27 2.07 -1.94 -2.57 116.25 117.92 2rng h VAL 17 Ca 0.03 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 2rng h VAL 17 Cb 0.48 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2rng h VAL 17 CO 0.02 0.28 -0.45 -0.25 0.02 0.00 0.00 177.57 177.19 2rng h TRP 18 N 0.96 -1.21 -1.00 1.57 7.01 -1.26 -1.90 115.95 120.12 2rng h TRP 18 Ca 0.23 -0.01 0.21 0.00 2.11 0.00 0.00 58.89 61.43 2rng h TRP 18 Cb 0.17 0.44 -0.11 0.00 -2.10 0.00 0.00 29.16 27.56 2rng h TRP 18 CO 0.01 -0.66 0.61 0.00 -2.79 0.00 0.00 178.44 175.62 2rng h ALA 19 N -0.87 1.78 0.33 2.65 0.00 -1.38 -2.25 119.26 119.51 2rng h ALA 19 Ca -0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2rng h ALA 19 Cb 0.87 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2rng h ALA 19 CO 0.05 -0.17 -0.21 -0.92 0.00 0.00 0.00 179.25 178.00 2rng h TYR 20 N 0.67 -0.57 -0.96 0.00 3.20 -0.98 -2.18 116.97 116.15 2rng h TYR 20 Ca 0.59 -0.00 0.29 0.00 3.14 0.00 0.00 58.73 62.75 2rng h TYR 20 Cb 1.04 0.20 -0.17 0.00 1.54 0.00 0.00 36.73 39.35 2rng h TYR 20 CO -0.00 -0.31 0.21 1.25 -1.64 0.00 0.00 178.16 177.66 2rng h LEU 21 N -0.51 -0.14 -0.37 2.82 6.46 -0.85 0.54 115.31 123.25 2rng h LEU 21 Ca -0.04 0.25 0.06 0.00 -0.12 0.00 0.00 57.88 58.02 2rng h LEU 21 Cb 0.41 0.37 -0.05 0.00 -0.73 0.00 0.00 40.66 40.66 2rng h LEU 21 CO 0.04 -0.31 0.06 0.58 -0.62 0.00 0.00 178.44 178.20 2rng h VAL 22 N 0.08 0.80 -0.60 1.05 2.07 -1.03 -1.46 116.25 117.16 2rng h VAL 22 Ca 0.64 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 68.17 2rng h VAL 22 Cb 1.42 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 2rng h VAL 22 CO -0.80 0.03 0.27 0.00 0.02 0.00 0.00 177.57 177.09 2rng h ALA 23 N 1.29 0.78 -0.90 1.67 0.00 0.70 -0.33 119.26 122.46 2rng h ALA 23 Ca 0.18 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2rng h ALA 23 Cb 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2rng h ALA 23 CO -0.24 -0.11 0.59 1.25 0.00 0.00 0.00 179.25 180.74 2rng h LEU 24 N 0.50 1.01 0.00 0.00 5.85 -0.84 -3.43 115.31 118.40 2rng h LEU 24 Ca 0.28 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2rng h LEU 24 Cb 0.27 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2rng h LEU 24 CO -0.24 0.72 0.00 0.55 -0.34 0.00 0.00 178.44 179.13 2rng n VAL 25 N -4.48 0.00 0.00 1.05 3.14 -0.54 -5.05 118.33 112.45 2rng n VAL 25 Ca 0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 2rng n VAL 25 Cb 0.04 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 2rng n VAL 25 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2rng n GLY 26 N 3.44 0.85 0.34 7.55 0.00 -0.25 -4.95 105.19 112.17 2rng n GLY 26 Ca 0.00 -0.76 0.22 0.00 0.00 0.00 0.00 46.02 45.48 2rng n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rng h ALA 27 N 0.00 1.09 0.28 4.61 0.00 -1.93 -0.73 119.26 122.58 2rng h ALA 27 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2rng h ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rng h ALA 27 CO 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 179.25 179.08 2rng h ALA 28 N 1.94 -0.51 0.00 0.00 0.00 -1.97 -2.05 119.26 116.67 2rng h ALA 28 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2rng h ALA 28 Cb 0.06 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2rng h ALA 28 CO -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 179.25 178.74 2rng h ALA 29 N -1.43 1.15 -0.10 0.00 0.00 -1.91 -0.88 119.26 116.09 2rng h ALA 29 Ca -0.04 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2rng h ALA 29 Cb 0.29 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2rng h ALA 29 CO 0.06 0.04 -0.57 0.28 0.00 0.00 0.00 179.25 179.06 2rng h VAL 30 N 0.00 1.36 0.00 0.00 2.07 -1.11 -1.66 116.25 116.91 2rng h VAL 30 Ca -0.00 -1.88 -0.17 0.00 0.82 0.00 0.00 66.70 65.47 2rng h VAL 30 Cb 0.17 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 2rng h VAL 30 CO 0.00 0.56 -1.17 0.74 0.02 0.00 0.00 177.57 177.73 2rng h THR 31 N 0.24 0.79 0.00 2.57 2.02 -0.46 -3.29 112.91 114.79 2rng h THR 31 Ca 0.00 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.85 2rng h THR 31 Cb 1.07 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 2rng h THR 31 CO 0.09 0.45 0.00 0.00 0.37 0.00 0.00 175.52 176.43 2rng h ALA 32 N 1.33 1.00 -0.31 6.16 0.00 -1.17 -3.16 119.26 123.11 2rng h ALA 32 Ca -0.12 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2rng h ALA 32 Cb 1.62 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 2rng h ALA 32 CO 0.07 0.00 0.09 0.00 0.00 0.00 0.00 179.25 179.41 2rng n ALA 33 N -2.03 3.35 -3.63 0.00 0.00 -0.63 -4.92 120.51 112.65 2rng n ALA 33 Ca 0.04 -0.97 -0.23 0.00 0.00 0.00 0.00 53.44 52.28 2rng n ALA 33 Cb 0.51 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.86 2rng n ALA 33 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2rng n ASN 34 N 0.11 -5.40 -4.05 0.00 2.85 -1.19 -1.41 115.26 106.18 2rng n ASN 34 Ca 0.17 -0.69 -0.32 0.00 -0.11 0.00 0.00 54.58 53.63 2rng n ASN 34 Cb 0.78 -2.22 -0.15 0.00 1.24 0.00 0.00 39.78 39.43 2rng n ASN 34 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2rng s ILE 35 N -2.75 1.97 0.12 -1.44 1.01 -1.24 0.28 121.20 119.15 2rng s ILE 35 Ca 0.07 -1.36 -0.05 0.00 0.00 0.00 0.00 60.65 59.31 2rng s ILE 35 Cb -0.01 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 2rng s ILE 35 CO 0.87 0.08 0.36 -0.13 0.00 0.00 0.00 174.94 176.13 2rng s ARG 36 N 1.23 3.62 0.42 2.79 1.81 -0.80 -4.91 118.95 123.10 2rng s ARG 36 Ca -0.05 -0.07 -0.04 0.00 -1.72 0.00 0.00 55.73 53.85 2rng s ARG 36 Cb -0.18 -2.89 -0.04 0.00 -0.45 0.00 0.00 34.95 31.39 2rng s ARG 36 CO -0.07 0.50 0.70 1.03 -0.68 0.00 0.00 175.30 176.78 2rng s ARG 37 N -2.48 3.55 0.10 3.54 0.52 -1.26 -0.77 118.95 122.16 2rng s ARG 37 Ca 0.39 0.05 0.04 0.00 -0.52 0.00 0.00 55.73 55.69 2rng s ARG 37 Cb -0.12 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.83 2rng s ARG 37 CO 0.23 -0.05 -0.11 0.00 0.02 0.00 0.00 175.30 175.39 2rng s ALA 38 N -2.53 1.18 0.59 2.13 0.00 0.29 -4.80 121.76 118.61 2rng s ALA 38 Ca 0.45 -1.18 0.33 0.00 0.00 0.00 0.00 51.96 51.57 2rng s ALA 38 Cb -0.10 -0.01 1.25 0.00 0.00 0.00 0.00 23.12 24.26 2rng s ALA 38 CO 0.40 0.01 1.50 0.77 0.00 0.00 0.00 175.76 178.45 2rng h SER 39 N 3.66 0.00 -0.53 0.00 0.02 -1.88 -3.26 113.55 111.56 2rng h SER 39 Ca -0.38 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.61 2rng h SER 39 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2rng h SER 39 CO 0.51 0.00 0.10 -1.20 -1.14 0.00 0.00 176.83 175.10 2rng n SER 40 N -3.55 -0.17 0.25 3.07 7.64 -1.26 -4.74 113.62 114.86 2rng n SER 40 Ca 0.26 -1.06 0.15 0.00 1.01 0.00 0.00 58.87 59.23 2rng n SER 40 Cb 1.47 0.27 0.78 0.00 -1.01 0.00 0.00 64.21 65.72 2rng n SER 40 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2rng h ASP 41 N 0.25 0.00 -3.48 6.43 3.32 -1.84 -3.33 116.42 117.77 2rng h ASP 41 Ca -0.03 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.37 2rng h ASP 41 Cb 0.15 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.55 2rng h ASP 41 CO 0.04 0.00 0.19 0.21 -1.72 0.00 0.00 179.24 177.96 2rng s ASN 42 N -4.33 6.32 0.37 6.45 3.04 -1.26 -4.58 114.94 120.94 2rng s ASN 42 Ca -0.03 -0.43 -0.06 0.00 0.04 0.00 0.00 52.86 52.39 2rng s ASN 42 Cb 0.08 -2.34 0.02 0.00 -1.54 0.00 0.00 41.25 37.48 2rng s ASN 42 CO 0.26 -0.87 0.58 -1.38 -3.04 0.00 0.00 177.10 172.65 2rng s HIS 43 N 2.97 0.84 0.37 0.43 -3.43 -1.26 -4.68 115.29 110.53 2rng s HIS 43 Ca 0.23 -1.20 -0.22 0.00 -0.80 0.00 0.00 55.06 53.07 2rng s HIS 43 Cb -0.15 0.20 -0.10 0.00 -1.43 0.00 0.00 32.58 31.10 2rng s HIS 43 CO 0.18 -1.31 0.91 0.45 -2.00 0.00 0.00 174.74 172.97 2rng s SER 44 N -3.21 7.04 0.29 7.38 0.15 -1.26 -0.76 113.70 123.33 2rng s SER 44 Ca 0.26 1.66 0.06 0.00 0.70 0.00 0.00 55.95 58.63 2rng s SER 44 Cb -0.02 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2rng s SER 44 CO 0.19 -0.23 0.27 0.00 1.20 0.00 0.00 173.24 174.67 2rng n ALA 46 N -1.00 -1.45 -0.76 0.00 0.00 -1.26 -2.54 120.51 113.49 2rng n ALA 46 Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2rng n ALA 46 Cb 0.52 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.94 2rng n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rng n GLY 47 N -1.59 0.54 1.82 0.00 0.00 -1.26 -2.62 105.19 102.08 2rng n GLY 47 Ca -0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 2rng n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rng n ASN 48 N -2.17 5.79 -0.00 1.61 2.85 -1.26 -3.89 115.26 118.19 2rng n ASN 48 Ca 0.00 -2.71 -0.00 0.00 -0.11 0.00 0.00 54.58 51.76 2rng n ASN 48 Cb 0.00 -1.17 -0.00 0.00 1.24 0.00 0.00 39.78 39.84 2rng n ASN 48 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2rng n ARG 49 N 1.26 1.83 -4.49 1.20 1.74 -1.08 -5.08 116.66 112.04 2rng n ARG 49 Ca 0.22 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.07 2rng n ARG 49 Cb 0.60 -1.02 -0.10 0.00 -1.02 0.00 0.00 32.46 30.92 2rng n ARG 49 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2rng s GLY 50 N -3.62 2.22 0.34 -0.13 0.00 -1.05 -4.64 107.32 100.44 2rng s GLY 50 Ca -0.01 -1.93 0.07 0.00 0.00 0.00 0.00 44.72 42.85 2rng s GLY 50 CO 0.02 -1.86 0.26 -0.98 0.00 0.00 0.00 173.10 170.54 2rng s TRP 51 N -3.21 1.76 -0.23 1.90 0.52 -0.94 -1.73 118.94 117.01 2rng s TRP 51 Ca 0.34 -1.62 -0.03 0.00 0.02 0.00 0.00 56.10 54.81 2rng s TRP 51 Cb 0.08 -0.78 0.00 0.00 -1.15 0.00 0.00 33.47 31.63 2rng s TRP 51 CO 0.15 -0.79 -0.04 0.00 0.02 0.00 0.00 176.95 176.29 2rng s ARG 53 N 1.44 1.07 0.18 0.00 3.00 -0.75 -4.40 118.95 119.49 2rng s ARG 53 Ca 0.04 -1.39 -0.14 0.00 0.00 0.00 0.00 55.73 54.24 2rng s ARG 53 Cb -0.15 -0.75 0.17 0.00 0.00 0.00 0.00 34.95 34.22 2rng s ARG 53 CO -0.03 0.11 1.71 0.66 0.00 0.00 0.00 175.30 177.75 2rng h SER 54 N 3.00 -0.05 -3.99 0.23 4.64 -1.94 -2.03 113.55 113.40 2rng h SER 54 Ca -0.38 0.09 -0.32 0.00 -0.47 0.00 0.00 61.79 60.71 2rng h SER 54 Cb 1.20 0.14 -0.28 0.00 -0.31 0.00 0.00 62.40 63.15 2rng h SER 54 CO 0.59 0.00 -0.75 -0.75 -0.87 0.00 0.00 176.83 175.05 2rng s LYS 55 N -6.15 0.45 0.65 4.77 2.20 -1.26 -4.33 119.74 116.07 2rng s LYS 55 Ca -0.13 -0.25 -0.11 0.00 -0.36 0.00 0.00 55.97 55.11 2rng s LYS 55 Cb 0.15 -0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 36.03 2rng s LYS 55 CO 0.72 0.11 1.04 0.00 -0.36 0.00 0.00 175.35 176.87 2rng n PHE 57 N -2.81 -3.97 0.02 0.00 3.01 -1.26 -4.93 117.46 107.52 2rng n PHE 57 Ca 0.07 -0.18 -0.19 0.00 1.01 0.00 0.00 57.45 58.17 2rng n PHE 57 Cb 0.54 -0.15 -0.12 0.00 -0.01 0.00 0.00 39.48 39.74 2rng n PHE 57 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2rng h ARG 58 N 0.00 0.46 0.00 -1.08 2.43 -2.00 -3.07 114.38 111.12 2rng h ARG 58 Ca -0.06 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 2rng h ARG 58 Cb 0.17 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2rng h ARG 58 CO 0.04 1.18 0.00 1.58 -1.51 0.00 0.00 179.97 181.27 2rng n HIS 59 N -4.11 0.00 -4.33 2.20 -0.00 -1.26 -4.78 115.22 102.95 2rng n HIS 59 Ca -0.11 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 57.89 2rng n HIS 59 Cb 0.76 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.52 2rng n HIS 59 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2rng s GLU 60 N -2.00 1.30 0.39 1.57 2.02 -1.16 -4.32 118.70 116.50 2rng s GLU 60 Ca 0.25 -1.61 0.03 0.00 0.02 0.00 0.00 54.97 53.66 2rng s GLU 60 Cb 0.12 -0.82 -0.01 0.00 0.10 0.00 0.00 34.13 33.52 2rng s GLU 60 CO 0.19 0.03 0.12 2.48 0.02 0.00 0.00 175.26 178.11 2rng n TYR 61 N -0.38 0.24 -3.00 1.61 4.11 -0.92 -4.25 117.16 114.58 2rng n TYR 61 Ca -0.07 -2.42 -0.44 0.00 -0.00 0.00 0.00 57.90 54.97 2rng n TYR 61 Cb 0.62 -0.04 -0.03 0.00 -0.00 0.00 0.00 39.34 39.89 2rng n TYR 61 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2rng s VAL 62 N -2.94 4.80 -0.84 -3.48 1.01 -1.26 -2.36 120.40 115.32 2rng s VAL 62 Ca 0.17 -1.44 -0.18 0.00 0.00 0.00 0.00 61.98 60.53 2rng s VAL 62 Cb 0.01 -4.69 -0.21 0.00 0.00 0.00 0.00 36.38 31.49 2rng s VAL 62 CO 0.12 -1.38 2.22 0.47 0.00 0.00 0.00 175.10 176.52 2rng n ASP 63 N 6.34 0.35 0.21 3.32 8.00 0.20 -4.68 116.55 130.30 2rng n ASP 63 Ca 0.14 -1.22 0.17 0.00 0.71 0.00 0.00 54.79 54.59 2rng n ASP 63 Cb 0.47 -1.20 0.72 0.00 -0.02 0.00 0.00 41.12 41.10 2rng n ASP 63 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2rng h THR 64 N 7.33 0.16 0.35 -3.53 1.35 -1.93 0.25 112.91 116.89 2rng h THR 64 Ca 0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.86 2rng h THR 64 Cb 1.05 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2rng h THR 64 CO 1.23 0.00 -0.17 0.22 -0.25 0.00 0.00 175.52 176.55 2rng h TYR 65 N 0.00 -0.44 -0.01 4.73 5.03 -1.92 -3.27 116.97 121.09 2rng h TYR 65 Ca 0.10 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.40 2rng h TYR 65 Cb 1.03 0.15 0.00 0.00 1.55 0.00 0.00 36.73 39.45 2rng h TYR 65 CO 0.00 -0.12 -0.10 0.66 -1.32 0.00 0.00 178.16 177.28 2rng n TYR 66 N -5.11 0.00 0.16 -3.82 4.01 -0.81 -3.85 117.16 107.73 2rng n TYR 66 Ca -0.08 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.83 2rng n TYR 66 Cb 0.27 -0.12 0.63 0.00 -0.31 0.00 0.00 39.34 39.81 2rng n TYR 66 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2rng h SER 67 N 0.93 0.00 0.00 7.72 4.64 -1.02 -2.39 113.55 123.43 2rng h SER 67 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rng h SER 67 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2rng h SER 67 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2rng n ALA 68 N -2.07 -0.27 -0.33 5.18 0.00 -1.25 -2.52 120.51 119.24 2rng n ALA 68 Ca 0.06 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.86 2rng n ALA 68 Cb 0.72 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.85 2rng n ALA 68 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2rng h VAL 69 N 0.00 0.17 0.56 0.00 3.04 -1.74 -0.58 116.25 117.70 2rng h VAL 69 Ca 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 2rng h VAL 69 Cb 0.00 0.21 0.01 0.00 -2.01 0.00 0.00 31.29 29.50 2rng h VAL 69 CO 0.00 0.00 -0.27 0.00 -1.01 0.00 0.00 177.57 176.29 2rng n GLY 71 N -0.87 0.99 0.05 0.00 0.00 -0.23 -4.39 105.19 100.74 2rng n GLY 71 Ca -0.09 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 2rng n GLY 71 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2rng h ARG 72 N 0.00 -0.02 0.00 1.61 3.08 -1.90 -3.44 114.38 113.71 2rng h ARG 72 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 2rng h ARG 72 Cb 0.00 0.01 0.05 0.00 0.08 0.00 0.00 29.97 30.11 2rng h ARG 72 CO 0.00 0.11 0.13 0.66 -1.07 0.00 0.00 179.97 179.80 2rng n TYR 73 N -5.04 -3.99 -4.83 3.04 4.01 -1.26 -5.01 117.16 104.08 2rng n TYR 73 Ca -0.08 -0.37 -0.25 0.00 -0.16 0.00 0.00 57.90 57.05 2rng n TYR 73 Cb 0.10 -0.32 -0.15 0.00 -0.31 0.00 0.00 39.34 38.65 2rng n TYR 73 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2rng s PHE 74 N -1.90 1.58 -0.54 -0.72 0.08 -0.76 -4.77 117.98 110.94 2rng s PHE 74 Ca 0.23 -0.32 -0.28 0.00 0.12 0.00 0.00 56.93 56.68 2rng s PHE 74 Cb -0.01 -1.02 0.03 0.00 -0.57 0.00 0.00 43.02 41.45 2rng s PHE 74 CO 0.16 -0.05 1.20 0.00 -0.10 0.00 0.00 175.22 176.44 2rng n ARG 77 N -1.15 0.28 -3.67 0.00 1.74 -1.00 -2.21 116.66 110.64 2rng n ARG 77 Ca -0.06 -1.75 -0.38 0.00 -0.77 0.00 0.00 57.85 54.89 2rng n ARG 77 Cb 0.55 1.51 -0.09 0.00 -1.02 0.00 0.00 32.46 33.41 2rng n ARG 77 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2rng s SER 78 N -2.26 5.45 0.00 0.55 1.04 -1.26 -2.16 113.70 115.07 2rng s SER 78 Ca 0.20 -2.44 0.12 0.00 0.48 0.00 0.00 55.95 54.32 2rng s SER 78 Cb 0.01 -1.91 0.74 0.00 0.10 0.00 0.00 66.02 64.96 2rng s SER 78 CO 0.14 -0.50 1.17 -1.14 0.98 0.00 0.00 173.24 173.90