#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rck n ALA 3 N 0.00 -2.51 -3.66 7.33 0.00 -1.26 -4.86 120.51 115.54 1rck n ALA 3 Ca 0.00 0.56 -0.08 0.00 0.00 0.00 0.00 53.44 53.93 1rck n ALA 3 Cb 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.35 1rck n ALA 3 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1rck s THR 4 N -3.47 -0.13 -0.27 0.00 -1.32 -0.62 -4.80 115.64 105.03 1rck s THR 4 Ca 0.00 0.05 -0.05 0.00 -1.21 0.00 0.00 61.69 60.48 1rck s THR 4 Cb 0.00 -0.83 0.01 0.00 -1.51 0.00 0.00 72.50 70.17 1rck s THR 4 CO 0.00 0.02 0.02 -0.89 -2.21 0.00 0.00 174.62 171.56 1rck s THR 5 N 1.72 3.54 -1.07 5.08 2.01 -1.26 -1.68 115.64 123.98 1rck s THR 5 Ca -0.09 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 1rck s THR 5 Cb -0.07 -2.80 0.30 0.00 0.01 0.00 0.00 72.50 69.93 1rck s THR 5 CO -0.17 0.15 1.35 0.00 -0.69 0.00 0.00 174.62 175.26 1rck n GLY 7 N 1.66 1.74 0.08 0.00 0.00 -1.26 -2.53 105.19 104.87 1rck n GLY 7 Ca 0.26 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 1rck n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rck n SER 8 N 5.42 2.32 -4.62 1.61 2.88 -1.26 -4.95 113.62 115.03 1rck n SER 8 Ca 0.00 -0.06 -0.43 0.00 -1.33 0.00 0.00 58.87 57.05 1rck n SER 8 Cb 0.00 0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 63.51 1rck n SER 8 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1rck s THR 9 N -2.34 3.76 0.15 2.46 2.01 -1.05 -5.00 115.64 115.63 1rck s THR 9 Ca -0.18 0.83 -0.10 0.00 0.31 0.00 0.00 61.69 62.55 1rck s THR 9 Cb 0.05 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 1rck s THR 9 CO 0.45 -0.44 0.48 0.21 -0.69 0.00 0.00 174.62 174.64 1rck s ASN 10 N 4.31 6.66 -0.06 3.53 3.84 -1.26 -1.23 114.94 130.73 1rck s ASN 10 Ca 0.69 0.88 -0.03 0.00 0.21 0.00 0.00 52.86 54.61 1rck s ASN 10 Cb -0.21 -2.21 0.04 0.00 -0.55 0.00 0.00 41.25 38.32 1rck s ASN 10 CO 0.30 0.06 0.12 -0.31 -2.79 0.00 0.00 177.10 174.47 1rck s TYR 11 N -1.59 -0.09 0.68 0.43 2.02 -0.68 -4.98 117.35 113.15 1rck s TYR 11 Ca 0.40 0.45 -0.14 0.00 -0.37 0.00 0.00 57.07 57.41 1rck s TYR 11 Cb -0.13 -0.30 0.01 0.00 -0.40 0.00 0.00 41.96 41.14 1rck s TYR 11 CO 0.20 -0.22 1.11 -1.12 -1.57 0.00 0.00 175.55 173.96 1rck s SER 12 N 2.00 4.96 0.59 2.29 0.01 -1.26 -1.58 113.70 120.70 1rck s SER 12 Ca 0.01 1.98 0.39 0.00 1.31 0.00 0.00 55.95 59.65 1rck s SER 12 Cb -0.12 -2.55 2.14 0.00 0.21 0.00 0.00 66.02 65.70 1rck s SER 12 CO -0.05 -1.73 2.21 0.00 0.41 0.00 0.00 173.24 174.08 1rck h ALA 13 N -0.18 1.00 0.11 1.44 0.00 -1.89 0.48 119.26 120.22 1rck h ALA 13 Ca -0.46 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.15 1rck h ALA 13 Cb 1.25 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.06 1rck h ALA 13 CO 0.53 -0.00 -1.24 0.66 0.00 0.00 0.00 179.25 179.20 1rck h SER 14 N 0.00 0.85 -0.18 0.00 4.64 -1.99 -2.69 113.55 114.17 1rck h SER 14 Ca 0.00 -0.78 -0.06 0.00 -0.47 0.00 0.00 61.79 60.48 1rck h SER 14 Cb 0.01 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.83 1rck h SER 14 CO 0.00 1.59 -0.11 1.56 -0.87 0.00 0.00 176.83 179.00 1rck h GLN 15 N 0.27 0.40 -0.02 4.77 4.20 -1.29 -0.41 115.11 123.03 1rck h GLN 15 Ca -0.18 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1rck h GLN 15 Cb 1.91 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.68 1rck h GLN 15 CO 0.23 0.71 0.01 0.28 -0.67 0.00 0.00 178.83 179.40 1rck h VAL 16 N 0.08 1.01 -0.25 -0.54 2.07 -1.42 -0.29 116.25 116.91 1rck h VAL 16 Ca 0.04 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1rck h VAL 16 Cb 0.61 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1rck h VAL 16 CO 0.03 0.01 0.09 -0.09 0.02 0.00 0.00 177.57 177.63 1rck h ARG 17 N 0.03 0.38 0.21 1.57 2.43 -1.50 -0.51 114.38 116.99 1rck h ARG 17 Ca 0.01 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1rck h ARG 17 Cb 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1rck h ARG 17 CO -0.00 0.44 -0.10 0.00 -1.51 0.00 0.00 179.97 178.79 1rck h ALA 18 N 0.93 -0.28 -0.87 2.80 0.00 -0.98 0.90 119.26 121.75 1rck h ALA 18 Ca 0.08 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1rck h ALA 18 Cb 0.21 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1rck h ALA 18 CO -0.00 -0.55 0.55 0.00 0.00 0.00 0.00 179.25 179.24 1rck h ALA 19 N 0.26 1.16 0.00 0.00 0.00 -1.08 -1.54 119.26 118.05 1rck h ALA 19 Ca -0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1rck h ALA 19 Cb 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1rck h ALA 19 CO 0.05 0.35 -0.45 0.00 0.00 0.00 0.00 179.25 179.20 1rck h ALA 20 N 1.38 1.18 0.00 0.00 0.00 -0.85 -1.40 119.26 119.58 1rck h ALA 20 Ca 0.36 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1rck h ALA 20 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1rck h ALA 20 CO -0.14 0.57 -0.26 -0.91 0.00 0.00 0.00 179.25 178.51 1rck h ASN 21 N 0.00 0.00 0.30 0.00 -0.26 0.17 -0.17 115.58 115.61 1rck h ASN 21 Ca -0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1rck h ASN 21 Cb 0.84 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.10 1rck h ASN 21 CO 0.06 0.26 -0.14 0.00 -1.06 0.00 0.00 177.43 176.54 1rck h ALA 22 N 1.74 -0.40 -0.91 -0.83 0.00 -0.78 -2.86 119.26 115.22 1rck h ALA 22 Ca -0.00 -0.10 0.26 0.00 0.00 0.00 0.00 54.91 55.06 1rck h ALA 22 Cb 0.62 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.41 1rck h ALA 22 CO 0.03 -0.38 0.22 0.00 0.00 0.00 0.00 179.25 179.13 1rck h ALA 23 N -1.04 1.33 0.39 0.00 0.00 -1.18 -0.06 119.26 118.70 1rck h ALA 23 Ca -0.04 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1rck h ALA 23 Cb 0.34 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1rck h ALA 23 CO 0.07 -0.53 -0.19 0.00 0.00 0.00 0.00 179.25 178.60 1rck h GLN 25 N -0.53 0.73 -0.00 0.00 4.15 -1.08 -3.16 115.11 115.22 1rck h GLN 25 Ca -0.05 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1rck h GLN 25 Cb 0.40 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1rck h GLN 25 CO 0.09 0.85 -0.02 0.66 -1.93 0.00 0.00 178.83 178.48 1rck n TYR 26 N -4.40 0.00 -0.14 3.99 4.01 -0.12 -4.07 117.16 116.44 1rck n TYR 26 Ca -0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.65 1rck n TYR 26 Cb 0.33 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1rck n TYR 26 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1rck h TYR 27 N 0.24 0.54 -0.45 -0.72 5.03 -0.74 0.48 116.97 121.35 1rck h TYR 27 Ca 0.00 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.36 1rck h TYR 27 Cb 0.18 -0.18 -0.04 0.00 1.55 0.00 0.00 36.73 38.24 1rck h TYR 27 CO 0.00 0.35 0.22 1.96 -1.32 0.00 0.00 178.16 179.38 1rck h GLN 28 N 0.57 0.43 0.00 1.82 4.20 -1.80 -2.59 115.11 117.74 1rck h GLN 28 Ca 0.15 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1rck h GLN 28 Cb -0.05 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1rck h GLN 28 CO -0.03 0.29 -0.37 -0.91 -0.67 0.00 0.00 178.83 177.14 1rck h ASN 29 N 0.45 0.00 -4.69 1.46 4.21 -1.76 -3.49 115.58 111.76 1rck h ASN 29 Ca 0.20 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.63 1rck h ASN 29 Cb 0.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 1rck h ASN 29 CO -0.14 0.04 -0.34 -0.67 -1.29 0.00 0.00 177.43 175.03 1rck n ASP 30 N -2.43 -6.39 0.00 5.81 -0.08 0.16 -1.57 116.55 112.06 1rck n ASP 30 Ca 0.04 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 1rck n ASP 30 Cb 0.47 -4.24 0.00 0.00 2.34 0.00 0.00 41.12 39.69 1rck n ASP 30 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1rck n ASP 31 N -0.45 0.00 -0.28 1.67 5.75 -0.69 -0.95 116.55 121.60 1rck n ASP 31 Ca 0.08 0.00 0.25 0.00 -0.01 0.00 0.00 54.79 55.11 1rck n ASP 31 Cb 0.35 0.00 0.45 0.00 -1.03 0.00 0.00 41.12 40.90 1rck n ASP 31 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1rck n THR 32 N 0.00 -0.36 0.00 2.12 -2.24 -1.26 -4.46 114.28 108.09 1rck n THR 32 Ca 0.00 1.75 0.00 0.00 -2.27 0.00 0.00 64.05 63.53 1rck n THR 32 Cb 0.00 -2.79 0.00 0.00 -2.10 0.00 0.00 70.33 65.44 1rck n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rck n ALA 33 N -2.53 0.00 -2.94 6.98 0.00 -1.26 -5.00 120.51 115.76 1rck n ALA 33 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1rck n ALA 33 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.46 1rck n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rck n GLY 34 N 0.00 5.32 0.00 0.00 0.00 -0.12 -5.01 105.19 105.38 1rck n GLY 34 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1rck n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rck n SER 35 N 0.00 0.00 0.00 1.61 3.41 -1.24 -4.56 113.62 112.84 1rck n SER 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1rck n SER 35 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1rck n SER 35 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1rck n SER 36 N 0.00 0.00 -0.14 4.04 7.64 -1.26 -4.91 113.62 118.98 1rck n SER 36 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1rck n SER 36 Cb 0.00 0.00 0.54 0.00 -1.01 0.00 0.00 64.21 63.74 1rck n SER 36 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1rck n THR 37 N -2.00 0.05 0.00 0.44 5.66 -1.26 -4.99 114.28 112.18 1rck n THR 37 Ca 0.00 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1rck n THR 37 Cb 0.00 -0.13 0.00 0.00 -1.55 0.00 0.00 70.33 68.65 1rck n THR 37 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1rck n TYR 38 N -0.52 0.00 -2.22 1.09 4.01 -1.26 -4.95 117.16 113.31 1rck n TYR 38 Ca 0.15 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.51 1rck n TYR 38 Cb 0.14 -0.88 -0.01 0.00 -0.31 0.00 0.00 39.34 38.27 1rck n TYR 38 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1rck s PRO 39 N -5.70 3.97 0.18 -0.72 0.02 -1.26 -3.44 135.00 128.05 1rck s PRO 39 Ca 0.00 1.91 -0.22 0.00 0.02 0.00 0.00 61.00 62.71 1rck s PRO 39 Cb 0.00 -2.65 0.06 0.00 0.02 0.00 0.00 34.50 31.93 1rck s PRO 39 CO 0.00 -0.41 0.61 -3.38 -0.33 0.00 0.00 177.00 173.49 1rck s HIS 40 N -1.39 -0.47 0.62 6.54 -3.43 -1.26 -4.51 115.29 111.38 1rck s HIS 40 Ca 0.58 0.22 -0.19 0.00 -0.80 0.00 0.00 55.06 54.88 1rck s HIS 40 Cb -0.32 0.57 -0.03 0.00 -1.43 0.00 0.00 32.58 31.37 1rck s HIS 40 CO 0.41 -0.90 1.26 -2.37 -2.00 0.00 0.00 174.74 171.13 1rck n THR 41 N -0.39 4.52 -3.37 -5.38 5.66 -1.26 -1.74 114.28 112.32 1rck n THR 41 Ca -0.15 -0.50 -0.36 0.00 -3.05 0.00 0.00 64.05 59.99 1rck n THR 41 Cb 0.64 -1.48 -0.06 0.00 -1.55 0.00 0.00 70.33 67.88 1rck n THR 41 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1rck s TYR 42 N -1.38 3.65 0.04 1.09 5.04 -0.70 -4.70 117.35 120.40 1rck s TYR 42 Ca 0.79 1.07 -0.23 0.00 -2.44 0.00 0.00 57.07 56.26 1rck s TYR 42 Cb -0.40 -2.37 -0.16 0.00 0.35 0.00 0.00 41.96 39.39 1rck s TYR 42 CO 0.43 0.49 1.51 -0.91 -1.34 0.00 0.00 175.55 175.73 1rck h ASN 43 N 3.87 0.08 -2.15 4.32 2.35 -1.94 -3.48 115.58 118.63 1rck h ASN 43 Ca -0.49 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.00 1rck h ASN 43 Cb 1.20 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1rck h ASN 43 CO 0.65 0.32 0.00 0.59 -1.65 0.00 0.00 177.43 177.34 1rck n ASN 44 N -4.91 -2.37 -0.85 5.81 3.02 -1.26 -5.07 115.26 109.62 1rck n ASN 44 Ca -0.07 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.59 1rck n ASN 44 Cb 0.16 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 1rck n ASN 44 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1rck n TYR 45 N -0.70 -2.23 -3.61 3.10 4.01 -1.26 -4.94 117.16 111.53 1rck n TYR 45 Ca 0.00 1.18 -0.20 0.00 -0.16 0.00 0.00 57.90 58.71 1rck n TYR 45 Cb 0.00 -2.02 0.05 0.00 -0.31 0.00 0.00 39.34 37.06 1rck n TYR 45 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1rck n GLU 46 N -3.55 -5.07 0.00 -0.72 -0.58 -1.26 -4.60 120.64 104.87 1rck n GLU 46 Ca -0.03 0.69 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 1rck n GLU 46 Cb 0.40 -5.35 0.00 0.00 -0.57 0.00 0.00 31.44 25.92 1rck n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rck n GLY 47 N -1.45 -1.48 2.46 0.62 0.00 -1.26 -5.06 105.19 99.02 1rck n GLY 47 Ca -0.28 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1rck n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rck n PHE 48 N 0.00 0.00 -3.61 1.61 3.72 -1.26 -4.96 117.46 112.95 1rck n PHE 48 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 1rck n PHE 48 Cb 0.00 -0.78 -0.07 0.00 -0.94 0.00 0.00 39.48 37.69 1rck n PHE 48 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1rck s ASP 49 N -0.24 -0.68 0.13 4.37 -4.77 -1.26 -4.36 116.67 109.86 1rck s ASP 49 Ca 0.00 1.15 0.03 0.00 -3.30 0.00 0.00 52.55 50.43 1rck s ASP 49 Cb 0.00 1.12 -0.04 0.00 -1.09 0.00 0.00 42.92 42.91 1rck s ASP 49 CO 0.00 -0.34 0.21 -0.36 0.70 0.00 0.00 175.17 175.37 1rck s PHE 50 N -0.12 3.36 0.00 2.11 0.08 -1.26 -5.01 117.98 117.15 1rck s PHE 50 Ca -0.03 0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.10 1rck s PHE 50 Cb -0.03 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.73 1rck s PHE 50 CO 0.03 0.53 2.15 -0.35 -0.10 0.00 0.00 175.22 177.48 1rck n PRO 51 N -0.23 1.11 -3.77 0.24 -0.04 -1.26 -4.73 135.00 126.31 1rck n PRO 51 Ca -0.07 -0.20 -0.12 0.00 -0.04 0.00 0.00 63.50 63.07 1rck n PRO 51 Cb 0.53 -1.24 -0.08 0.00 -0.04 0.00 0.00 33.50 32.67 1rck n PRO 51 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1rck s VAL 52 N 0.40 0.08 -0.17 0.52 -7.23 -1.26 -5.16 120.40 107.58 1rck s VAL 52 Ca 0.13 -0.62 -0.04 0.00 -1.81 0.00 0.00 61.98 59.64 1rck s VAL 52 Cb 0.06 -0.77 0.08 0.00 0.56 0.00 0.00 36.38 36.31 1rck s VAL 52 CO 0.00 -0.34 0.21 1.51 -0.31 0.00 0.00 175.10 176.17 1rck s ASP 53 N -1.73 1.13 -0.11 4.85 -4.77 -1.26 -4.92 116.67 109.86 1rck s ASP 53 Ca -0.09 0.00 -0.09 0.00 -3.30 0.00 0.00 52.55 49.07 1rck s ASP 53 Cb -0.03 0.39 -0.08 0.00 -1.09 0.00 0.00 42.92 42.11 1rck s ASP 53 CO 0.00 -0.30 0.22 1.23 0.70 0.00 0.00 175.17 177.03 1rck h GLY 54 N 8.32 0.00 -2.83 2.12 0.00 -1.99 -3.46 103.07 105.24 1rck h GLY 54 Ca -0.16 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.60 1rck h GLY 54 CO 0.23 0.00 0.03 -1.05 0.00 0.00 0.00 176.54 175.76 1rck n PRO 55 N -4.73 0.87 -3.33 4.80 -0.02 -1.26 -4.92 135.00 126.41 1rck n PRO 55 Ca -0.03 0.33 -0.27 0.00 -2.02 0.00 0.00 63.50 61.51 1rck n PRO 55 Cb 0.15 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1rck n PRO 55 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1rck s TYR 56 N -1.53 3.49 0.13 6.00 1.13 -1.26 -3.29 117.35 122.02 1rck s TYR 56 Ca 0.73 0.54 0.07 0.00 -1.41 0.00 0.00 57.07 57.00 1rck s TYR 56 Cb -0.43 -2.03 -0.04 0.00 -1.10 0.00 0.00 41.96 38.36 1rck s TYR 56 CO 0.49 0.14 -0.16 1.14 -2.51 0.00 0.00 175.55 174.65 1rck s GLN 57 N -3.85 1.10 0.43 -3.49 1.03 -0.18 -1.72 119.66 112.98 1rck s GLN 57 Ca 0.42 -1.27 -0.20 0.00 0.04 0.00 0.00 55.36 54.35 1rck s GLN 57 Cb -0.10 -1.07 -0.11 0.00 0.03 0.00 0.00 33.01 31.76 1rck s GLN 57 CO 0.33 0.21 0.94 -1.21 -2.54 0.00 0.00 175.29 173.02 1rck s GLU 58 N -2.62 4.18 -0.30 9.60 0.41 -0.71 -1.30 118.70 127.97 1rck s GLU 58 Ca 0.10 1.07 0.06 0.00 -0.41 0.00 0.00 54.97 55.79 1rck s GLU 58 Cb -0.06 -2.20 0.20 0.00 -1.78 0.00 0.00 34.13 30.30 1rck s GLU 58 CO 0.04 -0.04 0.59 0.12 -0.49 0.00 0.00 175.26 175.49 1rck s PHE 59 N -2.21 -1.86 -0.22 1.61 5.36 -0.49 -3.98 117.98 116.19 1rck s PHE 59 Ca 0.61 1.04 -0.29 0.00 -0.96 0.00 0.00 56.93 57.33 1rck s PHE 59 Cb -0.09 0.32 0.01 0.00 -0.34 0.00 0.00 43.02 42.91 1rck s PHE 59 CO 0.15 -1.09 1.07 -1.25 -1.46 0.00 0.00 175.22 172.64 1rck s PRO 60 N 2.77 4.26 0.78 10.12 0.04 -1.26 -1.57 135.00 150.14 1rck s PRO 60 Ca 0.10 1.40 -0.08 0.00 0.04 0.00 0.00 61.00 62.46 1rck s PRO 60 Cb -0.10 -3.65 0.17 0.00 0.04 0.00 0.00 34.50 30.96 1rck s PRO 60 CO -0.25 -0.63 1.06 1.51 0.04 0.00 0.00 177.00 178.73 1rck n ILE 61 N 5.31 0.00 -3.63 0.56 3.06 -0.49 -3.98 119.36 120.19 1rck n ILE 61 Ca 0.12 -1.14 -0.14 0.00 -2.50 0.00 0.00 62.75 59.10 1rck n ILE 61 Cb 0.46 -1.27 -0.07 0.00 0.54 0.00 0.00 39.64 39.30 1rck n ILE 61 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1rck s LYS 62 N -5.26 0.82 -1.31 9.51 -0.14 -1.25 -4.60 119.74 117.51 1rck s LYS 62 Ca 0.64 0.98 -0.07 0.00 -1.36 0.00 0.00 55.97 56.17 1rck s LYS 62 Cb -0.03 0.40 0.14 0.00 -1.68 0.00 0.00 37.83 36.66 1rck s LYS 62 CO 0.44 -0.10 2.22 -1.13 -0.76 0.00 0.00 175.35 176.02 1rck n SER 63 N 2.68 7.15 0.01 2.83 3.41 -1.26 -3.65 113.62 124.80 1rck n SER 63 Ca -0.14 -3.14 0.00 0.00 -0.26 0.00 0.00 58.87 55.33 1rck n SER 63 Cb 0.55 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1rck n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rck n GLY 64 N 2.02 -0.46 3.79 5.00 0.00 -1.26 -5.16 105.19 109.12 1rck n GLY 64 Ca 0.55 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.57 1rck n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rck s GLY 65 N -2.00 0.40 -0.60 -0.02 0.00 -1.24 -5.11 107.32 98.75 1rck s GLY 65 Ca 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 44.72 43.68 1rck s GLY 65 CO 0.00 -0.34 1.25 0.54 0.00 0.00 0.00 173.10 174.55 1rck s VAL 66 N -2.50 3.92 -0.75 1.40 0.11 -1.26 -3.76 120.40 117.56 1rck s VAL 66 Ca 0.16 0.78 -0.04 0.00 -2.93 0.00 0.00 61.98 59.95 1rck s VAL 66 Cb -0.05 -4.70 0.01 0.00 -1.53 0.00 0.00 36.38 30.10 1rck s VAL 66 CO 0.12 -1.39 0.64 0.00 -3.33 0.00 0.00 175.10 171.13 1rck n TYR 67 N 8.83 -2.48 -4.59 1.54 4.11 -1.26 -5.02 117.16 118.29 1rck n TYR 67 Ca 0.08 0.99 -0.34 0.00 -0.00 0.00 0.00 57.90 58.63 1rck n TYR 67 Cb 0.49 -3.20 -0.11 0.00 -0.00 0.00 0.00 39.34 36.51 1rck n TYR 67 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1rck s THR 68 N -2.85 3.73 0.00 -3.48 -4.23 -1.26 -4.81 115.64 102.74 1rck s THR 68 Ca 0.04 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1rck s THR 68 Cb -0.01 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1rck s THR 68 CO 0.84 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 176.11 1rck n GLY 69 N 2.43 2.34 1.30 3.99 0.00 -1.26 -4.91 105.19 109.08 1rck n GLY 69 Ca -0.18 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1rck n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rck n GLY 70 N 0.00 -3.68 2.41 -0.02 0.00 -1.26 -4.96 105.19 97.68 1rck n GLY 70 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 1rck n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rck n SER 71 N 0.49 -6.18 -4.81 1.61 7.64 -1.26 -4.92 113.62 106.19 1rck n SER 71 Ca 0.00 1.09 -0.30 0.00 1.01 0.00 0.00 58.87 60.67 1rck n SER 71 Cb 0.00 -4.29 0.10 0.00 -1.01 0.00 0.00 64.21 59.01 1rck n SER 71 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1rck s PRO 72 N -1.20 1.93 0.12 1.43 0.04 -1.26 -5.16 135.00 130.90 1rck s PRO 72 Ca -0.01 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1rck s PRO 72 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1rck s PRO 72 CO 0.60 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 176.34 1rck n GLY 73 N -2.18 -1.83 4.97 0.56 0.00 -1.26 -4.95 105.19 100.50 1rck n GLY 73 Ca 0.07 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1rck n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck n ALA 74 N -2.74 0.00 -1.91 4.61 0.00 -1.26 -4.91 120.51 114.30 1rck n ALA 74 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1rck n ALA 74 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1rck n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rck s ASP 75 N 0.00 6.24 0.10 0.00 1.01 -1.26 -2.15 116.67 120.61 1rck s ASP 75 Ca 0.00 1.96 0.02 0.00 0.71 0.00 0.00 52.55 55.24 1rck s ASP 75 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1rck s ASP 75 CO 0.00 -1.32 -0.07 -0.13 0.21 0.00 0.00 175.17 173.86 1rck s ARG 76 N 4.89 0.84 0.05 8.23 0.52 -0.38 -1.40 118.95 131.70 1rck s ARG 76 Ca 0.81 -1.33 0.05 0.00 -0.52 0.00 0.00 55.73 54.74 1rck s ARG 76 Cb -0.31 -0.24 -0.02 0.00 0.52 0.00 0.00 34.95 34.90 1rck s ARG 76 CO 0.33 -0.01 -0.14 0.14 0.02 0.00 0.00 175.30 175.64 1rck s VAL 77 N -3.54 1.10 -0.24 3.52 -7.23 -0.61 -2.26 120.40 111.15 1rck s VAL 77 Ca 0.11 -1.13 -0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1rck s VAL 77 Cb 0.05 -1.03 0.06 0.00 0.56 0.00 0.00 36.38 36.02 1rck s VAL 77 CO -0.04 -0.10 -0.02 -0.69 -0.31 0.00 0.00 175.10 173.94 1rck s VAL 78 N -1.04 1.29 0.55 1.32 1.01 -0.02 -1.39 120.40 122.13 1rck s VAL 78 Ca -0.00 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 60.92 1rck s VAL 78 Cb -0.09 -1.66 0.07 0.00 0.00 0.00 0.00 36.38 34.70 1rck s VAL 78 CO 0.02 -0.19 0.75 0.27 0.00 0.00 0.00 175.10 175.95 1rck s ILE 79 N 1.49 2.40 0.07 2.22 -4.36 -0.42 -2.31 121.20 120.30 1rck s ILE 79 Ca -0.03 -0.94 -0.06 0.00 -0.26 0.00 0.00 60.65 59.36 1rck s ILE 79 Cb -0.18 -2.47 -0.05 0.00 1.25 0.00 0.00 42.46 41.01 1rck s ILE 79 CO -0.08 0.00 0.32 0.20 0.24 0.00 0.00 174.94 175.62 1rck s ASN 80 N -4.58 6.51 0.00 4.36 -0.87 0.32 -1.01 114.94 119.68 1rck s ASN 80 Ca 0.60 0.59 0.02 0.00 -1.57 0.00 0.00 52.86 52.50 1rck s ASN 80 Cb -0.07 -2.10 0.07 0.00 -0.02 0.00 0.00 41.25 39.13 1rck s ASN 80 CO 0.38 0.17 1.05 1.07 -2.57 0.00 0.00 177.10 177.20 1rck n THR 81 N 0.71 1.89 0.00 1.60 5.66 -1.21 -3.27 114.28 119.66 1rck n THR 81 Ca -0.07 0.47 0.00 0.00 -3.05 0.00 0.00 64.05 61.40 1rck n THR 81 Cb 0.52 -1.44 0.00 0.00 -1.55 0.00 0.00 70.33 67.86 1rck n THR 81 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1rck n ASN 82 N -1.50 0.00 0.00 1.09 4.13 -1.26 -5.00 115.26 112.72 1rck n ASN 82 Ca 0.00 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.38 1rck n ASN 82 Cb 0.02 -0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 1rck n ASN 82 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rck s GLU 84 N 0.00 1.89 -0.17 0.00 2.12 -1.26 -4.84 118.70 116.44 1rck s GLU 84 Ca 0.00 0.17 -0.02 0.00 0.36 0.00 0.00 54.97 55.49 1rck s GLU 84 Cb 0.00 -1.94 -0.01 0.00 0.26 0.00 0.00 34.13 32.44 1rck s GLU 84 CO 0.00 -1.66 -0.10 -0.47 -0.54 0.00 0.00 175.26 172.49 1rck s TYR 85 N -3.51 2.87 -0.10 5.30 5.04 -1.26 -0.53 117.35 125.17 1rck s TYR 85 Ca 0.62 -0.80 -0.06 0.00 -2.44 0.00 0.00 57.07 54.39 1rck s TYR 85 Cb -0.12 -1.95 -0.02 0.00 0.35 0.00 0.00 41.96 40.23 1rck s TYR 85 CO 0.50 -0.36 -0.12 0.00 -1.34 0.00 0.00 175.55 174.23 1rck h ALA 86 N 7.28 0.00 -1.78 3.97 0.00 -1.74 -3.46 119.26 123.52 1rck h ALA 86 Ca -0.33 -0.41 0.27 0.00 0.00 0.00 0.00 54.91 54.44 1rck h ALA 86 Cb 1.19 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 1rck h ALA 86 CO 0.58 0.34 0.70 0.20 0.00 0.00 0.00 179.25 181.07 1rck s GLY 87 N -3.69 -0.35 0.17 0.00 0.00 -1.01 -5.04 107.32 97.41 1rck s GLY 87 Ca -0.10 0.48 0.10 0.00 0.00 0.00 0.00 44.72 45.20 1rck s GLY 87 CO 0.15 0.09 -0.21 0.00 0.00 0.00 0.00 173.10 173.12 1rck s ALA 88 N -2.74 2.22 0.08 3.20 0.00 -1.26 -0.84 121.76 122.42 1rck s ALA 88 Ca 0.13 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.54 1rck s ALA 88 Cb 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1rck s ALA 88 CO -0.02 0.35 0.07 0.96 0.00 0.00 0.00 175.76 177.13 1rck s ILE 89 N -1.72 0.17 -0.21 0.00 -4.36 -0.96 -1.93 121.20 112.19 1rck s ILE 89 Ca 0.16 -1.60 -0.27 0.00 -0.26 0.00 0.00 60.65 58.69 1rck s ILE 89 Cb -0.07 -1.57 0.07 0.00 1.25 0.00 0.00 42.46 42.14 1rck s ILE 89 CO 0.08 -0.76 0.73 0.28 0.24 0.00 0.00 174.94 175.51 1rck s THR 90 N -3.93 0.00 -1.43 8.37 -1.32 0.52 -1.25 115.64 116.60 1rck s THR 90 Ca 0.10 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.46 1rck s THR 90 Cb 0.07 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 1rck s THR 90 CO -0.08 0.00 2.53 1.41 -2.21 0.00 0.00 174.62 176.28 1rck n HIS 91 N 2.17 2.67 -0.07 9.09 8.25 -0.91 -1.22 115.22 135.20 1rck n HIS 91 Ca -0.15 -2.84 -0.14 0.00 -0.26 0.00 0.00 57.72 54.33 1rck n HIS 91 Cb 0.56 -2.37 -0.14 0.00 1.12 0.00 0.00 29.99 29.15 1rck n HIS 91 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1rck n THR 92 N 4.38 1.54 0.04 1.59 5.66 -1.26 -4.78 114.28 121.44 1rck n THR 92 Ca 0.63 -0.73 -0.01 0.00 -3.05 0.00 0.00 64.05 60.89 1rck n THR 92 Cb 0.29 -1.08 -0.00 0.00 -1.55 0.00 0.00 70.33 67.99 1rck n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rck n GLY 93 N 1.88 -0.07 1.12 1.09 0.00 -1.26 -5.06 105.19 102.89 1rck n GLY 93 Ca -0.32 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 45.82 1rck n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck n ALA 94 N -3.53 -2.89 -2.87 4.61 0.00 -1.26 -4.88 120.51 109.70 1rck n ALA 94 Ca -0.01 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.71 1rck n ALA 94 Cb 0.07 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 18.54 1rck n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rck n SER 95 N -3.60 -0.71 0.00 0.00 2.88 -1.26 -4.93 113.62 106.01 1rck n SER 95 Ca -0.00 -3.14 0.00 0.00 -1.33 0.00 0.00 58.87 54.40 1rck n SER 95 Cb 0.51 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.58 1rck n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 96 N 0.12 2.16 2.72 0.46 0.00 -1.26 -4.45 105.19 104.94 1rck n GLY 96 Ca 0.11 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.41 1rck n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rck n ASN 97 N 2.31 0.77 -4.62 1.61 3.02 -1.26 -5.12 115.26 111.96 1rck n ASN 97 Ca 0.00 -2.41 -0.23 0.00 -0.03 0.00 0.00 54.58 51.90 1rck n ASN 97 Cb 0.00 -0.20 -0.08 0.00 -0.61 0.00 0.00 39.78 38.90 1rck n ASN 97 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1rck s ASN 98 N -2.90 4.39 -0.34 6.41 0.01 -1.26 -5.12 114.94 116.12 1rck s ASN 98 Ca 0.25 -0.73 -0.06 0.00 -0.71 0.00 0.00 52.86 51.60 1rck s ASN 98 Cb 0.41 -0.74 0.04 0.00 0.41 0.00 0.00 41.25 41.37 1rck s ASN 98 CO -0.02 -0.02 0.11 -0.36 -1.51 0.00 0.00 177.10 175.30 1rck s PHE 99 N -2.37 3.26 0.65 2.20 0.40 -1.26 -4.19 117.98 116.67 1rck s PHE 99 Ca 0.32 -1.43 -0.11 0.00 -0.60 0.00 0.00 56.93 55.11 1rck s PHE 99 Cb -0.06 -2.29 -0.02 0.00 0.51 0.00 0.00 43.02 41.16 1rck s PHE 99 CO 0.19 -0.73 1.05 0.14 0.70 0.00 0.00 175.22 176.57 1rck s VAL 100 N 1.40 4.33 0.43 -0.44 -7.23 -0.35 -4.37 120.40 114.17 1rck s VAL 100 Ca -0.02 0.76 -0.24 0.00 -1.81 0.00 0.00 61.98 60.67 1rck s VAL 100 Cb -0.20 -3.72 -0.10 0.00 0.56 0.00 0.00 36.38 32.93 1rck s VAL 100 CO 0.03 -0.99 1.10 0.61 -0.31 0.00 0.00 175.10 175.54 1rck n GLY 101 N -2.72 0.04 3.49 2.32 0.00 -1.26 -0.36 105.19 106.70 1rck n GLY 101 Ca 0.06 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1rck n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rck n SER 103 N -0.68 -5.86 -2.69 0.00 2.88 -1.02 -2.32 113.62 103.92 1rck n SER 103 Ca -0.05 -0.35 -0.21 0.00 -1.33 0.00 0.00 58.87 56.93 1rck n SER 103 Cb 0.63 -4.61 0.02 0.00 -0.75 0.00 0.00 64.21 59.50 1rck n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rck n GLY 104 N -1.62 -0.46 3.75 0.46 0.00 -1.26 -4.90 105.19 101.15 1rck n GLY 104 Ca -0.06 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1rck n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rck s THR 105 N -3.11 4.37 0.00 2.61 2.01 -0.98 -5.13 115.64 115.42 1rck s THR 105 Ca 0.21 1.95 0.00 0.00 0.31 0.00 0.00 61.69 64.15 1rck s THR 105 Cb -0.09 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.16 1rck s THR 105 CO 0.25 0.42 0.00 -3.20 -0.69 0.00 0.00 174.62 171.40