#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsp h ASP 3 N 5.05 0.14 -3.52 0.00 3.32 -1.43 -3.44 116.42 116.53 2gsp h ASP 3 Ca -0.46 -0.13 -0.30 0.00 0.02 0.00 0.00 57.03 56.16 2gsp h ASP 3 Cb 1.21 -0.04 -0.34 0.00 0.22 0.00 0.00 39.33 40.37 2gsp h ASP 3 CO 0.68 1.04 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.20 2gsp s TYR 4 N -2.88 0.03 -0.23 4.55 2.02 -0.73 -4.97 117.35 115.13 2gsp s TYR 4 Ca -0.01 0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.84 2gsp s TYR 4 Cb 0.10 -0.23 0.04 0.00 -0.40 0.00 0.00 41.96 41.47 2gsp s TYR 4 CO 0.83 -0.09 -0.14 0.99 -1.57 0.00 0.00 175.55 175.57 2gsp s THR 5 N 1.05 2.22 -0.58 -0.71 2.01 0.14 -1.27 115.64 118.51 2gsp s THR 5 Ca -0.09 -1.30 -0.05 0.00 0.31 0.00 0.00 61.69 60.56 2gsp s THR 5 Cb -0.13 -2.15 0.15 0.00 0.01 0.00 0.00 72.50 70.39 2gsp s THR 5 CO -0.03 0.21 0.41 0.00 -0.69 0.00 0.00 174.62 174.53 2gsp n GLY 7 N 4.04 2.57 0.05 0.00 0.00 -1.26 -1.24 105.19 109.36 2gsp n GLY 7 Ca 0.03 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2gsp n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gsp n SER 8 N 9.89 1.08 -4.71 1.61 3.41 -1.26 -4.94 113.62 118.70 2gsp n SER 8 Ca 0.00 -1.02 -0.42 0.00 -0.26 0.00 0.00 58.87 57.17 2gsp n SER 8 Cb 0.00 0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 64.83 2gsp n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2gsp s ASN 9 N -2.94 7.34 -0.22 4.04 0.01 -0.37 -5.04 114.94 117.75 2gsp s ASN 9 Ca 0.09 1.73 -0.05 0.00 -0.71 0.00 0.00 52.86 53.92 2gsp s ASN 9 Cb 0.16 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.23 2gsp s ASN 9 CO 0.83 -0.27 -0.00 0.00 -1.51 0.00 0.00 177.10 176.14 2gsp s TYR 11 N 1.41 2.03 0.43 0.00 2.02 -0.40 -5.03 117.35 117.82 2gsp s TYR 11 Ca 0.05 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.44 2gsp s TYR 11 Cb -0.15 -1.25 0.02 0.00 -0.40 0.00 0.00 41.96 40.18 2gsp s TYR 11 CO -0.00 0.05 0.59 -1.54 -1.57 0.00 0.00 175.55 173.08 2gsp s SER 12 N -0.95 5.61 0.38 2.29 1.04 -1.26 -1.04 113.70 119.78 2gsp s SER 12 Ca 0.09 -0.43 0.08 0.00 0.48 0.00 0.00 55.95 56.17 2gsp s SER 12 Cb -0.09 -0.61 0.77 0.00 0.10 0.00 0.00 66.02 66.20 2gsp s SER 12 CO 0.01 -0.81 1.94 0.77 0.98 0.00 0.00 173.24 176.13 2gsp h SER 13 N 0.59 0.34 0.34 7.02 4.64 -1.98 -1.97 113.55 122.54 2gsp h SER 13 Ca -0.39 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 60.75 2gsp h SER 13 Cb 1.28 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2gsp h SER 13 CO 0.45 0.41 -0.53 0.77 -0.87 0.00 0.00 176.83 177.06 2gsp h SER 14 N 0.36 0.23 -0.40 4.97 4.64 -1.99 -0.86 113.55 120.49 2gsp h SER 14 Ca 0.08 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 2gsp h SER 14 Cb 0.26 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2gsp h SER 14 CO 0.01 0.72 0.20 0.44 -0.87 0.00 0.00 176.83 177.33 2gsp h ASP 15 N 0.16 0.52 -0.35 4.97 3.32 -1.75 -1.94 116.42 121.35 2gsp h ASP 15 Ca 0.00 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 2gsp h ASP 15 Cb 0.99 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2gsp h ASP 15 CO 0.08 0.49 0.03 0.58 -1.72 0.00 0.00 179.24 178.70 2gsp h VAL 16 N 0.52 1.25 -0.83 -1.35 2.07 -1.23 -2.40 116.25 114.27 2gsp h VAL 16 Ca 0.14 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 2gsp h VAL 16 Cb 0.10 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2gsp h VAL 16 CO -0.02 0.30 0.44 0.28 0.02 0.00 0.00 177.57 178.59 2gsp h SER 17 N 0.42 1.06 -0.23 0.57 0.02 -1.08 0.62 113.55 114.93 2gsp h SER 17 Ca 0.10 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2gsp h SER 17 Cb 0.40 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2gsp h SER 17 CO 0.01 0.87 0.04 0.74 -1.14 0.00 0.00 176.83 177.35 2gsp h THR 18 N 1.16 1.23 -0.34 -2.27 2.02 -1.31 -0.54 112.91 112.86 2gsp h THR 18 Ca 0.29 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 2gsp h THR 18 Cb 0.06 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2gsp h THR 18 CO -0.04 0.24 0.11 0.00 0.37 0.00 0.00 175.52 176.20 2gsp h ALA 19 N 0.85 0.44 -0.59 6.16 0.00 -1.20 -2.77 119.26 122.15 2gsp h ALA 19 Ca 0.07 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2gsp h ALA 19 Cb 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2gsp h ALA 19 CO 0.00 0.07 0.37 0.37 0.00 0.00 0.00 179.25 180.07 2gsp h GLN 20 N 0.39 0.73 -0.82 0.00 4.15 -0.80 -1.75 115.11 117.00 2gsp h GLN 20 Ca 0.11 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.52 2gsp h GLN 20 Cb 0.23 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 2gsp h GLN 20 CO -0.01 0.48 0.53 0.00 -1.93 0.00 0.00 178.83 177.91 2gsp h ALA 21 N 1.24 1.08 -0.28 3.38 0.00 -0.97 -0.28 119.26 123.43 2gsp h ALA 21 Ca 0.23 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2gsp h ALA 21 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2gsp h ALA 21 CO -0.07 0.37 0.03 0.00 0.00 0.00 0.00 179.25 179.58 2gsp h ALA 22 N 1.34 0.37 -0.68 0.00 0.00 -1.17 -1.99 119.26 117.13 2gsp h ALA 22 Ca 0.33 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2gsp h ALA 22 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2gsp h ALA 22 CO -0.11 0.08 0.22 0.78 0.00 0.00 0.00 179.25 180.22 2gsp h GLY 23 N 0.28 1.13 1.19 0.00 0.00 -1.00 -2.61 103.07 102.06 2gsp h GLY 23 Ca 0.08 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.65 2gsp h GLY 23 CO 0.01 0.62 -0.09 -1.82 0.00 0.00 0.00 176.54 175.25 2gsp h TYR 24 N 0.99 1.06 -0.15 5.60 3.20 -1.00 -1.75 116.97 124.92 2gsp h TYR 24 Ca 0.22 -0.21 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2gsp h TYR 24 Cb 0.29 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2gsp h TYR 24 CO 0.02 0.99 0.01 -0.22 -1.64 0.00 0.00 178.16 177.32 2gsp h LYS 25 N 0.86 0.06 -0.88 1.82 3.11 -1.22 0.83 116.57 121.16 2gsp h LYS 25 Ca 0.14 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.98 2gsp h LYS 25 Cb 0.63 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.81 2gsp h LYS 25 CO 0.04 0.04 0.55 -0.07 -2.81 0.00 0.00 179.45 177.21 2gsp h LEU 26 N 0.07 1.04 -0.47 5.20 3.38 -1.33 -1.71 115.31 121.49 2gsp h LEU 26 Ca 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2gsp h LEU 26 Cb 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2gsp h LEU 26 CO -0.10 0.78 0.25 -0.74 0.09 0.00 0.00 178.44 178.71 2gsp h HIS 27 N 1.20 0.65 -0.76 1.13 2.76 -0.63 -1.29 115.15 118.21 2gsp h HIS 27 Ca 0.32 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2gsp h HIS 27 Cb -0.09 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.63 2gsp h HIS 27 CO -0.00 0.50 0.46 0.93 -1.30 0.00 0.00 177.93 178.52 2gsp h GLU 28 N 0.61 1.04 0.00 5.26 5.08 -0.48 -2.56 114.58 123.53 2gsp h GLU 28 Ca 0.16 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2gsp h GLU 28 Cb 0.08 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2gsp h GLU 28 CO -0.02 0.73 0.00 -0.25 -1.00 0.00 0.00 179.01 178.47 2gsp n ASP 29 N -4.49 0.00 -1.69 1.42 8.00 -0.68 -4.92 116.55 114.19 2gsp n ASP 29 Ca 0.07 0.33 -0.12 0.00 0.71 0.00 0.00 54.79 55.78 2gsp n ASP 29 Cb 0.06 -0.44 0.02 0.00 -0.02 0.00 0.00 41.12 40.74 2gsp n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gsp n GLY 30 N 1.13 0.03 3.48 0.44 0.00 -0.57 -5.03 105.19 104.66 2gsp n GLY 30 Ca 0.08 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 2gsp n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gsp s GLU 31 N -5.10 1.71 0.11 1.61 2.02 -0.68 -5.05 118.70 113.31 2gsp s GLU 31 Ca 0.15 -1.75 0.01 0.00 0.02 0.00 0.00 54.97 53.40 2gsp s GLU 31 Cb -0.07 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 2gsp s GLU 31 CO 0.18 0.33 -0.03 0.95 0.02 0.00 0.00 175.26 176.72 2gsp s THR 32 N -2.48 0.54 0.02 3.63 -4.23 -1.26 -4.40 115.64 107.45 2gsp s THR 32 Ca 0.30 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 2gsp s THR 32 Cb -0.05 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 2gsp s THR 32 CO 0.15 -0.74 -0.06 0.68 -0.54 0.00 0.00 174.62 174.11 2gsp s VAL 33 N -3.73 0.41 0.00 2.29 -7.23 0.53 -4.89 120.40 107.78 2gsp s VAL 33 Ca 0.16 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 2gsp s VAL 33 Cb 0.06 -0.45 0.00 0.00 0.56 0.00 0.00 36.38 36.56 2gsp s VAL 33 CO -0.03 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 2gsp n GLY 34 N 2.05 -0.57 0.28 2.32 0.00 -1.26 -1.58 105.19 106.42 2gsp n GLY 34 Ca -0.19 -1.67 0.17 0.00 0.00 0.00 0.00 46.02 44.33 2gsp n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2gsp h SER 35 N 0.00 0.00 -0.70 1.61 0.02 -1.98 -2.65 113.55 109.85 2gsp h SER 35 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gsp h SER 35 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2gsp h SER 35 CO 0.00 0.01 0.00 0.59 -1.14 0.00 0.00 176.83 176.29 2gsp n ASN 36 N -3.11 4.35 -3.30 3.07 5.03 -1.26 -5.01 115.26 115.03 2gsp n ASN 36 Ca 0.00 -2.20 -0.15 0.00 0.87 0.00 0.00 54.58 53.11 2gsp n ASN 36 Cb 0.30 -0.53 0.01 0.00 -1.02 0.00 0.00 39.78 38.54 2gsp n ASN 36 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2gsp n SER 37 N 1.43 -6.65 -4.88 6.41 2.88 -1.00 -4.92 113.62 106.89 2gsp n SER 37 Ca 0.25 -0.22 -0.34 0.00 -1.33 0.00 0.00 58.87 57.23 2gsp n SER 37 Cb 0.75 -3.74 -0.05 0.00 -0.75 0.00 0.00 64.21 60.41 2gsp n SER 37 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2gsp s TYR 38 N -2.69 3.54 0.49 0.66 2.02 -0.62 -3.81 117.35 116.95 2gsp s TYR 38 Ca 0.11 0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 57.07 2gsp s TYR 38 Cb -0.02 -1.85 -0.07 0.00 -0.40 0.00 0.00 41.96 39.62 2gsp s TYR 38 CO 0.82 0.66 0.91 -1.25 -1.57 0.00 0.00 175.55 175.12 2gsp s PRO 39 N -1.64 3.84 0.19 -1.71 0.04 -1.26 -0.35 135.00 134.11 2gsp s PRO 39 Ca 0.23 0.74 -0.07 0.00 0.04 0.00 0.00 61.00 61.94 2gsp s PRO 39 Cb -0.12 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 2gsp s PRO 39 CO 0.14 -0.22 0.27 -3.38 0.04 0.00 0.00 177.00 173.84 2gsp s HIS 40 N -2.61 0.64 0.24 0.56 -3.43 -1.16 -4.93 115.29 104.60 2gsp s HIS 40 Ca 0.55 -0.97 -0.31 0.00 -0.80 0.00 0.00 55.06 53.53 2gsp s HIS 40 Cb -0.10 -0.17 -0.13 0.00 -1.43 0.00 0.00 32.58 30.74 2gsp s HIS 40 CO 0.34 -0.75 1.41 1.17 -2.00 0.00 0.00 174.74 174.91 2gsp n LYS 41 N -0.26 2.04 -3.87 -0.38 4.81 -1.26 -0.78 118.16 118.45 2gsp n LYS 41 Ca -0.03 0.73 -0.36 0.00 -0.87 0.00 0.00 58.31 57.78 2gsp n LYS 41 Cb 0.64 -2.38 -0.14 0.00 0.02 0.00 0.00 35.03 33.17 2gsp n LYS 41 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 2gsp s TYR 42 N -0.08 3.16 -0.43 5.64 5.04 -0.08 -4.70 117.35 125.89 2gsp s TYR 42 Ca 0.68 -1.48 0.26 0.00 -2.44 0.00 0.00 57.07 54.09 2gsp s TYR 42 Cb -0.65 -2.14 0.83 0.00 0.35 0.00 0.00 41.96 40.35 2gsp s TYR 42 CO 0.50 -0.71 1.76 -0.91 -1.34 0.00 0.00 175.55 174.85 2gsp h ASN 43 N 8.09 0.00 -5.14 4.32 4.21 -1.94 -3.38 115.58 121.74 2gsp h ASN 43 Ca -0.28 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 56.92 2gsp h ASN 43 Cb 1.10 0.00 0.14 0.00 -1.12 0.00 0.00 38.32 38.43 2gsp h ASN 43 CO 0.57 0.00 -0.63 -3.20 -1.29 0.00 0.00 177.43 172.88 2gsp n ASN 44 N -2.65 -3.51 0.24 5.81 5.15 -1.26 -4.90 115.26 114.14 2gsp n ASN 44 Ca 0.03 -0.50 0.07 0.00 -0.60 0.00 0.00 54.58 53.58 2gsp n ASN 44 Cb 0.39 -4.44 0.59 0.00 -0.53 0.00 0.00 39.78 35.79 2gsp n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2gsp h TYR 45 N -1.91 0.00 0.00 1.20 0.05 -2.00 -1.28 116.97 113.03 2gsp h TYR 45 Ca -0.50 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.25 2gsp h TYR 45 Cb 1.30 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.04 2gsp h TYR 45 CO 0.40 0.11 -0.13 0.93 -1.05 0.00 0.00 178.16 178.42 2gsp h GLU 46 N 0.00 0.00 -2.10 4.88 3.07 -1.94 -3.47 114.58 115.02 2gsp h GLU 46 Ca -0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 2gsp h GLU 46 Cb 0.21 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.15 2gsp h GLU 46 CO 0.01 0.13 -0.18 0.41 -1.40 0.00 0.00 179.01 177.99 2gsp n GLY 47 N -0.74 0.50 3.77 -3.84 0.00 -0.48 -5.01 105.19 99.38 2gsp n GLY 47 Ca -0.02 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 2gsp n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gsp s PHE 48 N -2.97 2.79 -1.22 1.61 0.08 -1.26 -4.93 117.98 112.08 2gsp s PHE 48 Ca 0.14 1.49 -0.12 0.00 0.12 0.00 0.00 56.93 58.56 2gsp s PHE 48 Cb -0.06 -3.50 0.18 0.00 -0.57 0.00 0.00 43.02 39.07 2gsp s PHE 48 CO 0.17 -1.82 1.55 -3.47 -0.10 0.00 0.00 175.22 171.55 2gsp n ASP 49 N -0.41 5.26 -4.77 1.36 2.03 -1.26 -5.00 116.55 113.76 2gsp n ASP 49 Ca 0.07 -3.04 -0.39 0.00 0.52 0.00 0.00 54.79 51.94 2gsp n ASP 49 Cb 0.47 -1.52 -0.03 0.00 -0.72 0.00 0.00 41.12 39.32 2gsp n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2gsp s PHE 50 N 0.82 3.22 -0.77 -0.67 0.08 -1.26 -4.95 117.98 114.45 2gsp s PHE 50 Ca 0.41 1.57 0.26 0.00 0.12 0.00 0.00 56.93 59.29 2gsp s PHE 50 Cb 0.01 -3.41 0.90 0.00 -0.57 0.00 0.00 43.02 39.95 2gsp s PHE 50 CO 0.00 -1.17 1.80 0.43 -0.10 0.00 0.00 175.22 176.18 2gsp n SER 51 N 0.55 0.64 -4.63 1.36 7.64 -1.26 -4.85 113.62 113.07 2gsp n SER 51 Ca 0.02 0.57 -0.24 0.00 1.01 0.00 0.00 58.87 60.23 2gsp n SER 51 Cb 0.45 -0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 62.84 2gsp n SER 51 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2gsp s VAL 52 N -3.09 3.40 0.57 0.44 -7.23 -1.26 -5.13 120.40 108.10 2gsp s VAL 52 Ca 0.11 -1.88 -0.17 0.00 -1.81 0.00 0.00 61.98 58.23 2gsp s VAL 52 Cb 0.13 -2.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 2gsp s VAL 52 CO 0.57 -0.33 1.06 -0.44 -0.31 0.00 0.00 175.10 175.64 2gsp s SER 53 N -3.53 5.90 0.82 4.85 0.01 -1.26 -5.04 113.70 115.44 2gsp s SER 53 Ca 0.30 1.85 -0.11 0.00 1.31 0.00 0.00 55.95 59.31 2gsp s SER 53 Cb -0.07 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.73 2gsp s SER 53 CO 0.19 -1.08 1.16 -0.94 0.41 0.00 0.00 173.24 172.98 2gsp s SER 54 N -2.57 4.24 0.66 2.44 1.04 -1.26 -4.69 113.70 113.56 2gsp s SER 54 Ca 0.65 0.52 -0.15 0.00 0.48 0.00 0.00 55.95 57.44 2gsp s SER 54 Cb -0.16 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.02 2gsp s SER 54 CO 0.33 -2.03 1.12 -2.16 0.98 0.00 0.00 173.24 171.49 2gsp s PRO 55 N -5.55 2.75 0.12 4.02 0.04 -1.26 -4.85 135.00 130.27 2gsp s PRO 55 Ca 0.65 1.45 0.07 0.00 0.04 0.00 0.00 61.00 63.21 2gsp s PRO 55 Cb -0.09 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2gsp s PRO 55 CO 0.49 -1.30 -0.07 0.71 0.04 0.00 0.00 177.00 176.86 2gsp s TYR 56 N -2.26 2.77 0.01 0.56 2.02 -1.26 -3.45 117.35 115.74 2gsp s TYR 56 Ca 0.68 -0.14 0.03 0.00 -0.37 0.00 0.00 57.07 57.27 2gsp s TYR 56 Cb -0.22 -1.42 -0.01 0.00 -0.40 0.00 0.00 41.96 39.91 2gsp s TYR 56 CO 0.41 0.46 -0.09 0.71 -1.57 0.00 0.00 175.55 175.46 2gsp s TYR 57 N -1.35 0.82 -0.01 2.71 2.02 0.26 -0.91 117.35 120.89 2gsp s TYR 57 Ca 0.23 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 2gsp s TYR 57 Cb -0.11 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 2gsp s TYR 57 CO 0.15 -0.01 0.03 -1.83 -1.57 0.00 0.00 175.55 172.31 2gsp s GLU 58 N -0.52 2.89 -0.10 -0.62 -1.05 0.04 -1.62 118.70 117.72 2gsp s GLU 58 Ca 0.01 -0.56 -0.05 0.00 -0.15 0.00 0.00 54.97 54.23 2gsp s GLU 58 Cb -0.05 -2.74 0.04 0.00 -0.44 0.00 0.00 34.13 30.95 2gsp s GLU 58 CO 0.00 0.64 0.23 -0.46 0.95 0.00 0.00 175.26 176.62 2gsp s TRP 59 N -1.10 -0.29 0.38 4.83 -0.11 -0.41 -3.00 118.94 119.23 2gsp s TRP 59 Ca 0.20 0.72 -0.27 0.00 1.22 0.00 0.00 56.10 57.96 2gsp s TRP 59 Cb -0.12 0.03 -0.10 0.00 -1.50 0.00 0.00 33.47 31.79 2gsp s TRP 59 CO 0.11 -0.21 1.37 -2.14 -4.62 0.00 0.00 176.95 171.45 2gsp s PRO 60 N 1.14 4.09 -0.11 5.86 0.02 -1.26 -0.03 135.00 144.71 2gsp s PRO 60 Ca -0.08 2.32 0.03 0.00 0.02 0.00 0.00 61.00 63.28 2gsp s PRO 60 Cb -0.10 -2.90 0.01 0.00 0.02 0.00 0.00 34.50 31.53 2gsp s PRO 60 CO -0.07 -0.45 -0.22 -1.50 -0.33 0.00 0.00 177.00 174.43 2gsp s ILE 61 N -1.18 1.98 -0.12 2.83 2.07 -0.98 -4.59 121.20 121.20 2gsp s ILE 61 Ca 0.54 -0.95 -0.06 0.00 -1.41 0.00 0.00 60.65 58.76 2gsp s ILE 61 Cb -0.41 -1.73 -0.04 0.00 0.13 0.00 0.00 42.46 40.40 2gsp s ILE 61 CO 0.55 0.54 0.10 -0.76 -1.91 0.00 0.00 174.94 173.46 2gsp s LEU 62 N 0.59 4.16 0.58 8.50 1.43 -1.26 -4.44 118.68 128.24 2gsp s LEU 62 Ca -0.13 0.35 0.37 0.00 -1.03 0.00 0.00 54.13 53.69 2gsp s LEU 62 Cb -0.17 -2.01 1.75 0.00 0.03 0.00 0.00 46.19 45.79 2gsp s LEU 62 CO 0.04 0.37 2.11 0.77 0.23 0.00 0.00 176.35 179.86 2gsp h SER 63 N 5.30 0.00 0.90 2.29 4.64 -1.96 -2.02 113.55 122.70 2gsp h SER 63 Ca -0.52 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.78 2gsp h SER 63 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2gsp h SER 63 CO 0.60 0.00 -0.10 0.77 -0.87 0.00 0.00 176.83 177.23 2gsp h SER 64 N 0.00 0.00 0.00 4.97 4.64 -1.99 -3.47 113.55 117.70 2gsp h SER 64 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gsp h SER 64 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2gsp h SER 64 CO 0.00 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 2gsp n GLY 65 N -0.01 0.47 3.87 -0.77 0.00 -0.76 -5.06 105.19 102.94 2gsp n GLY 65 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2gsp n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gsp s ASP 66 N -2.41 6.26 0.01 1.61 1.01 -1.26 -5.01 116.67 116.89 2gsp s ASP 66 Ca 0.00 1.37 -0.21 0.00 0.71 0.00 0.00 52.55 54.42 2gsp s ASP 66 Cb 0.00 -2.44 -0.06 0.00 1.01 0.00 0.00 42.92 41.43 2gsp s ASP 66 CO 0.00 -0.81 0.60 -0.69 0.21 0.00 0.00 175.17 174.48 2gsp s VAL 67 N -3.09 4.86 0.18 -1.27 1.01 -1.26 -4.29 120.40 116.55 2gsp s VAL 67 Ca 0.54 1.27 -0.33 0.00 0.00 0.00 0.00 61.98 63.46 2gsp s VAL 67 Cb -0.11 -3.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 2gsp s VAL 67 CO 0.51 0.44 1.61 0.00 0.00 0.00 0.00 175.10 177.67 2gsp n TYR 68 N 2.54 2.42 -0.72 5.22 9.36 -1.26 -4.88 117.16 129.84 2gsp n TYR 68 Ca -0.07 0.21 0.00 0.00 3.32 0.00 0.00 57.90 61.36 2gsp n TYR 68 Cb 0.51 -2.58 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 2gsp n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 2gsp n SER 69 N 3.49 0.38 0.00 2.98 3.41 -1.26 -5.07 113.62 117.55 2gsp n SER 69 Ca 0.16 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 2gsp n SER 69 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2gsp n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gsp n GLY 70 N -0.05 3.40 4.86 5.00 0.00 -1.26 -4.59 105.19 112.54 2gsp n GLY 70 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2gsp n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsp n GLY 71 N -1.86 -1.69 3.71 -0.02 0.00 -1.26 -4.86 105.19 99.21 2gsp n GLY 71 Ca 0.00 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 2gsp n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gsp s SER 72 N -4.00 6.43 0.00 1.61 0.15 -1.26 -4.84 113.70 111.79 2gsp s SER 72 Ca 0.00 2.78 0.29 0.00 0.70 0.00 0.00 55.95 59.72 2gsp s SER 72 Cb 0.00 -2.59 1.20 0.00 -1.71 0.00 0.00 66.02 62.92 2gsp s SER 72 CO 0.00 -0.96 1.83 -0.81 1.20 0.00 0.00 173.24 174.50 2gsp n PRO 73 N 4.59 1.09 0.00 5.44 -0.04 -1.26 -5.05 135.00 139.77 2gsp n PRO 73 Ca 0.16 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 2gsp n PRO 73 Cb 0.37 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2gsp n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gsp n GLY 74 N 1.21 -1.01 0.04 0.55 0.00 -1.26 -4.35 105.19 100.37 2gsp n GLY 74 Ca 0.17 -1.19 0.09 0.00 0.00 0.00 0.00 46.02 45.10 2gsp n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gsp n ALA 75 N 1.27 4.44 -2.89 4.61 0.00 -1.26 -4.99 120.51 121.68 2gsp n ALA 75 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 53.44 52.56 2gsp n ALA 75 Cb 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 2gsp n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gsp s ASP 76 N -2.78 6.27 0.00 0.00 1.01 -1.26 -1.24 116.67 118.67 2gsp s ASP 76 Ca 0.08 0.29 -0.06 0.00 0.71 0.00 0.00 52.55 53.57 2gsp s ASP 76 Cb 0.15 -1.93 -0.00 0.00 1.01 0.00 0.00 42.92 42.14 2gsp s ASP 76 CO 0.77 0.23 0.12 -0.13 0.21 0.00 0.00 175.17 176.37 2gsp s ARG 77 N -2.11 0.44 -0.11 8.23 1.81 -0.20 -2.31 118.95 124.70 2gsp s ARG 77 Ca 0.29 -0.38 -0.03 0.00 -1.72 0.00 0.00 55.73 53.89 2gsp s ARG 77 Cb -0.13 0.18 -0.03 0.00 -0.45 0.00 0.00 34.95 34.52 2gsp s ARG 77 CO 0.21 -0.10 -0.01 0.08 -0.68 0.00 0.00 175.30 174.80 2gsp s VAL 78 N -1.30 4.21 -0.20 3.52 1.01 0.96 -1.25 120.40 127.35 2gsp s VAL 78 Ca -0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 2gsp s VAL 78 Cb -0.07 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 2gsp s VAL 78 CO 0.01 0.57 -0.08 -0.69 0.00 0.00 0.00 175.10 174.91 2gsp s VAL 79 N -0.49 3.11 0.30 2.92 1.01 -0.20 -1.29 120.40 125.75 2gsp s VAL 79 Ca 0.08 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.54 2gsp s VAL 79 Cb -0.12 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 2gsp s VAL 79 CO 0.02 0.46 -0.03 0.72 0.00 0.00 0.00 175.10 176.27 2gsp s PHE 80 N 1.32 2.00 0.02 5.22 -0.12 -0.64 0.00 117.98 125.79 2gsp s PHE 80 Ca 0.04 -0.74 0.00 0.00 -0.05 0.00 0.00 56.93 56.18 2gsp s PHE 80 Cb -0.14 -1.20 0.00 0.00 -0.63 0.00 0.00 43.02 41.05 2gsp s PHE 80 CO -0.04 0.24 0.01 0.27 -0.05 0.00 0.00 175.22 175.66 2gsp n ASN 81 N -0.64 1.24 0.12 1.98 0.23 -0.70 -0.57 115.26 116.92 2gsp n ASN 81 Ca -0.05 -1.09 0.08 0.00 -0.53 0.00 0.00 54.58 52.99 2gsp n ASN 81 Cb 0.64 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.90 2gsp n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2gsp h GLU 82 N 0.00 0.23 -0.65 -3.83 4.57 -1.83 -1.87 114.58 111.20 2gsp h GLU 82 Ca -0.02 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2gsp h GLU 82 Cb 0.06 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2gsp h GLU 82 CO 0.03 0.15 0.00 0.09 -1.18 0.00 0.00 179.01 178.10 2gsp n ASN 83 N -4.50 3.68 -3.48 1.04 5.03 -1.26 -4.90 115.26 110.87 2gsp n ASN 83 Ca 0.01 -2.42 -0.24 0.00 0.87 0.00 0.00 54.58 52.80 2gsp n ASN 83 Cb 0.14 -0.53 0.06 0.00 -1.02 0.00 0.00 39.78 38.43 2gsp n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2gsp n ASN 84 N 0.58 -6.20 -4.80 6.41 5.15 -0.70 -4.99 115.26 110.71 2gsp n ASN 84 Ca 0.18 -0.49 -0.36 0.00 -0.60 0.00 0.00 54.58 53.30 2gsp n ASN 84 Cb 0.73 -4.92 -0.07 0.00 -0.53 0.00 0.00 39.78 35.00 2gsp n ASN 84 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2gsp s GLN 85 N -6.19 3.62 -0.08 1.20 -0.21 -1.26 -4.88 119.66 111.86 2gsp s GLN 85 Ca 0.52 -0.20 -0.30 0.00 0.02 0.00 0.00 55.36 55.41 2gsp s GLN 85 Cb -0.23 -3.21 -0.03 0.00 1.00 0.00 0.00 33.01 30.54 2gsp s GLN 85 CO 0.65 0.61 1.36 -1.17 -2.12 0.00 0.00 175.29 174.62 2gsp s LEU 86 N -0.55 4.26 -0.09 2.90 2.96 -1.26 -1.72 118.68 125.17 2gsp s LEU 86 Ca 0.12 1.92 -0.00 0.00 -0.22 0.00 0.00 54.13 55.95 2gsp s LEU 86 Cb -0.12 -3.55 -0.25 0.00 0.50 0.00 0.00 46.19 42.77 2gsp s LEU 86 CO 0.02 -0.75 0.47 0.00 -1.32 0.00 0.00 176.35 174.77 2gsp n ALA 87 N 6.16 1.08 0.00 5.97 0.00 0.10 -4.83 120.51 128.98 2gsp n ALA 87 Ca 0.14 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2gsp n ALA 87 Cb 0.44 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2gsp n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gsp n GLY 88 N 1.85 -0.56 3.10 0.00 0.00 -1.12 -4.65 105.19 103.81 2gsp n GLY 88 Ca -0.27 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 2gsp n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gsp s VAL 89 N -2.00 1.80 0.29 1.61 1.01 -1.26 -1.04 120.40 120.81 2gsp s VAL 89 Ca 0.00 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.23 2gsp s VAL 89 Cb 0.00 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 2gsp s VAL 89 CO 0.00 0.50 -0.03 0.27 0.00 0.00 0.00 175.10 175.84 2gsp s ILE 90 N 1.05 1.55 0.01 2.22 -4.36 -0.38 -1.16 121.20 120.14 2gsp s ILE 90 Ca -0.03 -2.09 -0.17 0.00 -0.26 0.00 0.00 60.65 58.10 2gsp s ILE 90 Cb -0.14 -2.54 0.03 0.00 1.25 0.00 0.00 42.46 41.05 2gsp s ILE 90 CO -0.05 -0.23 0.37 0.28 0.24 0.00 0.00 174.94 175.55 2gsp s THR 91 N -3.07 0.06 -0.48 8.37 -1.32 0.06 -1.03 115.64 118.22 2gsp s THR 91 Ca 0.31 -0.47 0.24 0.00 -1.21 0.00 0.00 61.69 60.56 2gsp s THR 91 Cb 0.05 -0.79 0.31 0.00 -1.51 0.00 0.00 72.50 70.56 2gsp s THR 91 CO 0.13 -0.26 1.61 0.45 -2.21 0.00 0.00 174.62 174.34 2gsp h HIS 92 N 3.46 0.00 -2.59 9.09 3.86 -1.37 -0.42 115.15 127.18 2gsp h HIS 92 Ca -0.30 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.38 2gsp h HIS 92 Cb 1.18 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.67 2gsp h HIS 92 CO 0.47 0.00 1.08 0.99 0.86 0.00 0.00 177.93 181.33 2gsp s THR 93 N -3.20 3.01 0.00 2.45 2.01 -1.26 -2.05 115.64 116.61 2gsp s THR 93 Ca 0.07 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.42 2gsp s THR 93 Cb 0.06 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2gsp s THR 93 CO 0.66 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 2gsp n GLY 94 N 4.17 0.55 3.23 4.40 0.00 -1.26 -4.79 105.19 111.49 2gsp n GLY 94 Ca 0.17 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 2gsp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gsp s ALA 95 N -2.00 1.72 0.45 4.61 0.00 -0.87 -4.96 121.76 120.71 2gsp s ALA 95 Ca 0.00 -0.95 -0.23 0.00 0.00 0.00 0.00 51.96 50.79 2gsp s ALA 95 Cb 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 23.12 22.64 2gsp s ALA 95 CO 0.00 0.41 1.10 -1.54 0.00 0.00 0.00 175.76 175.73 2gsp s SER 96 N -0.73 6.36 1.46 0.00 1.04 -1.26 -4.74 113.70 115.82 2gsp s SER 96 Ca 0.08 2.14 0.00 0.00 0.48 0.00 0.00 55.95 58.65 2gsp s SER 96 Cb -0.08 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2gsp s SER 96 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2gsp n GLY 97 N 0.27 3.32 1.60 7.32 0.00 -1.26 -1.89 105.19 114.55 2gsp n GLY 97 Ca 0.07 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2gsp n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gsp n ASN 98 N 3.84 3.81 -4.76 1.61 5.03 -1.26 -4.98 115.26 118.53 2gsp n ASN 98 Ca 0.00 -3.41 -0.29 0.00 0.87 0.00 0.00 54.58 51.75 2gsp n ASN 98 Cb 0.00 -0.69 0.10 0.00 -1.02 0.00 0.00 39.78 38.17 2gsp n ASN 98 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2gsp s ASN 99 N -1.68 4.29 0.16 6.41 0.01 -0.79 -5.04 114.94 118.30 2gsp s ASN 99 Ca 0.50 0.64 0.07 0.00 -0.71 0.00 0.00 52.86 53.36 2gsp s ASN 99 Cb 0.42 -1.06 -0.04 0.00 0.41 0.00 0.00 41.25 40.97 2gsp s ASN 99 CO 0.08 -2.02 -0.15 -0.36 -1.51 0.00 0.00 177.10 173.14 2gsp s PHE 100 N -3.59 1.62 0.11 2.20 0.08 -1.26 -4.37 117.98 112.76 2gsp s PHE 100 Ca 0.64 -0.55 0.03 0.00 0.12 0.00 0.00 56.93 57.18 2gsp s PHE 100 Cb -0.10 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 2gsp s PHE 100 CO 0.49 0.26 -0.09 0.14 -0.10 0.00 0.00 175.22 175.92 2gsp s VAL 101 N -2.43 0.91 0.39 -0.44 -7.23 -0.17 -4.94 120.40 106.49 2gsp s VAL 101 Ca 0.16 -1.81 -0.23 0.00 -1.81 0.00 0.00 61.98 58.29 2gsp s VAL 101 Cb -0.03 -1.54 -0.10 0.00 0.56 0.00 0.00 36.38 35.26 2gsp s VAL 101 CO 0.05 -0.69 0.95 -1.61 -0.31 0.00 0.00 175.10 173.50 2gsp s GLU 102 N -3.27 4.36 0.25 4.82 2.02 -1.26 -0.76 118.70 124.86 2gsp s GLU 102 Ca 0.09 1.23 -0.30 0.00 0.02 0.00 0.00 54.97 56.02 2gsp s GLU 102 Cb 0.00 -2.45 -0.09 0.00 0.10 0.00 0.00 34.13 31.69 2gsp s GLU 102 CO -0.01 0.08 0.98 0.00 0.02 0.00 0.00 175.26 176.33