#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 h SER 2 N 0.00 -1.19 -2.38 1.61 0.02 -2.15 -3.41 113.55 106.04 2cr5 h SER 2 Ca 0.00 0.08 -0.56 0.00 -0.84 0.00 0.00 61.79 60.47 2cr5 h SER 2 Cb 0.00 0.38 0.06 0.00 0.14 0.00 0.00 62.40 62.97 2cr5 h SER 2 CO 0.00 -0.63 0.89 -0.24 -1.14 0.00 0.00 176.83 175.71 2cr5 n SER 3 N -5.19 3.43 -4.35 3.07 2.88 -1.26 -4.98 113.62 107.21 2cr5 n SER 3 Ca -0.12 1.07 -0.32 0.00 -1.33 0.00 0.00 58.87 58.17 2cr5 n SER 3 Cb 0.43 -1.47 -0.15 0.00 -0.75 0.00 0.00 64.21 62.26 2cr5 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr5 s GLY 4 N 1.23 1.40 0.45 0.46 0.00 -1.26 -5.13 107.32 104.47 2cr5 s GLY 4 Ca 0.78 -1.01 0.03 0.00 0.00 0.00 0.00 44.72 44.52 2cr5 s GLY 4 CO 0.37 -0.65 0.07 -1.35 0.00 0.00 0.00 173.10 171.54 2cr5 s SER 5 N -0.31 3.37 -0.23 1.64 1.04 -1.26 -5.17 113.70 112.78 2cr5 s SER 5 Ca 0.01 -1.65 -0.20 0.00 0.48 0.00 0.00 55.95 54.60 2cr5 s SER 5 Cb -0.13 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.52 2cr5 s SER 5 CO 0.02 -0.87 0.60 -0.55 0.98 0.00 0.00 173.24 173.42 2cr5 s SER 6 N -3.72 -0.65 0.13 7.02 0.15 -1.26 -5.14 113.70 110.24 2cr5 s SER 6 Ca 0.17 1.22 0.00 0.00 0.70 0.00 0.00 55.95 58.04 2cr5 s SER 6 Cb 0.03 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 2cr5 s SER 6 CO 0.10 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2cr5 n GLY 7 N 2.96 -2.66 0.53 9.45 0.00 -1.26 -4.79 105.19 109.41 2cr5 n GLY 7 Ca -0.15 -1.37 0.07 0.00 0.00 0.00 0.00 46.02 44.57 2cr5 n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cr5 n GLU 8 N -2.58 1.48 -1.51 1.61 0.28 -1.26 -5.07 120.64 113.58 2cr5 n GLU 8 Ca -0.02 -3.12 -0.47 0.00 -0.16 0.00 0.00 57.16 53.39 2cr5 n GLU 8 Cb 0.15 -1.54 -0.03 0.00 1.43 0.00 0.00 31.44 31.45 2cr5 n GLU 8 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2cr5 n VAL 9 N -1.13 1.75 -1.26 3.84 0.31 -1.26 -4.92 118.33 115.67 2cr5 n VAL 9 Ca 0.18 -0.44 -0.31 0.00 -0.01 0.00 0.00 64.34 63.76 2cr5 n VAL 9 Cb 0.69 -0.52 0.09 0.00 -0.91 0.00 0.00 33.84 33.20 2cr5 n VAL 9 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2cr5 s PRO 10 N -1.09 2.25 0.21 5.55 0.04 -1.26 -5.07 135.00 135.62 2cr5 s PRO 10 Ca 0.64 1.17 0.11 0.00 0.04 0.00 0.00 61.00 62.96 2cr5 s PRO 10 Cb -0.84 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 2cr5 s PRO 10 CO 0.57 -1.65 -0.19 0.16 0.04 0.00 0.00 177.00 175.93 2cr5 s ASP 11 N -3.40 3.71 0.28 6.66 1.47 -1.26 -5.13 116.67 119.00 2cr5 s ASP 11 Ca 0.61 -0.82 -0.16 0.00 1.18 0.00 0.00 52.55 53.37 2cr5 s ASP 11 Cb -0.17 -0.40 -0.09 0.00 -0.34 0.00 0.00 42.92 41.92 2cr5 s ASP 11 CO 0.56 0.10 0.71 -0.76 0.68 0.00 0.00 175.17 176.46 2cr5 s LEU 12 N -2.91 4.15 0.76 2.11 1.43 -1.26 -5.06 118.68 117.89 2cr5 s LEU 12 Ca 0.24 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 2cr5 s LEU 12 Cb -0.07 -3.89 0.05 0.00 0.03 0.00 0.00 46.19 42.30 2cr5 s LEU 12 CO 0.12 -0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.51 2cr5 s PRO 13 N -2.68 2.34 0.23 1.29 0.04 -1.26 -4.94 135.00 130.02 2cr5 s PRO 13 Ca 0.50 1.20 -0.31 0.00 0.04 0.00 0.00 61.00 62.43 2cr5 s PRO 13 Cb -0.12 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 2cr5 s PRO 13 CO 0.19 -1.59 1.37 -0.85 0.04 0.00 0.00 177.00 176.16 2cr5 n GLU 14 N -3.36 1.90 -2.60 4.56 0.00 -1.26 -4.93 120.64 114.95 2cr5 n GLU 14 Ca 0.09 0.68 -0.40 0.00 0.00 0.00 0.00 57.16 57.52 2cr5 n GLU 14 Cb 0.53 -2.31 -0.05 0.00 0.00 0.00 0.00 31.44 29.61 2cr5 n GLU 14 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2cr5 s GLU 15 N -0.39 4.70 0.59 3.44 -6.30 -1.26 -5.03 118.70 114.46 2cr5 s GLU 15 Ca 0.69 1.64 -0.18 0.00 -2.50 0.00 0.00 54.97 54.63 2cr5 s GLU 15 Cb -0.68 -3.26 -0.03 0.00 0.00 0.00 0.00 34.13 30.15 2cr5 s GLU 15 CO 0.50 0.27 1.12 -1.25 0.02 0.00 0.00 175.26 175.92 2cr5 s PRO 16 N -0.90 3.12 1.17 4.30 0.04 -1.26 -5.04 135.00 136.44 2cr5 s PRO 16 Ca 0.45 1.52 -0.19 0.00 0.04 0.00 0.00 61.00 62.82 2cr5 s PRO 16 Cb -0.28 -1.98 0.28 0.00 0.04 0.00 0.00 34.50 32.55 2cr5 s PRO 16 CO 0.35 -1.01 1.16 0.45 0.04 0.00 0.00 177.00 177.99 2cr5 s SER 17 N -2.11 1.22 -0.02 6.66 0.15 -1.26 -4.89 113.70 113.45 2cr5 s SER 17 Ca 0.70 0.48 -0.20 0.00 0.70 0.00 0.00 55.95 57.64 2cr5 s SER 17 Cb -0.22 -0.63 -0.30 0.00 -1.71 0.00 0.00 66.02 63.15 2cr5 s SER 17 CO 0.33 -3.93 0.96 1.05 1.20 0.00 0.00 173.24 172.86 2cr5 h GLU 18 N -2.45 0.38 0.00 5.44 4.11 -2.00 -3.32 114.58 116.75 2cr5 h GLU 18 Ca -0.44 -0.59 -0.02 0.00 0.07 0.00 0.00 59.36 58.39 2cr5 h GLU 18 Cb 1.27 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 2cr5 h GLU 18 CO 0.32 1.26 -0.52 0.00 0.07 0.00 0.00 179.01 180.14 2cr5 h THR 19 N -0.20 0.11 -1.39 -1.06 1.03 -1.99 -3.47 112.91 105.96 2cr5 h THR 19 Ca -0.15 -1.18 -0.78 0.00 -0.01 0.00 0.00 66.41 64.29 2cr5 h THR 19 Cb 1.68 1.85 0.02 0.00 -1.07 0.00 0.00 68.15 70.63 2cr5 h THR 19 CO 0.17 0.06 0.82 0.00 -0.01 0.00 0.00 175.52 176.56 2cr5 n ALA 20 N -2.16 -0.60 -0.87 0.00 0.00 -1.25 -4.90 120.51 110.72 2cr5 n ALA 20 Ca 0.01 0.43 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 2cr5 n ALA 20 Cb 0.58 -2.13 0.18 0.00 0.00 0.00 0.00 19.45 18.08 2cr5 n ALA 20 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2cr5 s GLU 21 N 3.25 0.62 -1.46 0.00 -1.05 -1.26 -3.55 118.70 115.25 2cr5 s GLU 21 Ca 1.00 1.06 -0.08 0.00 -0.15 0.00 0.00 54.97 56.80 2cr5 s GLU 21 Cb -1.19 -1.72 0.03 0.00 -0.44 0.00 0.00 34.13 30.81 2cr5 s GLU 21 CO 0.70 -2.74 0.86 0.39 0.95 0.00 0.00 175.26 175.41 2cr5 n GLU 22 N -4.26 -5.90 -4.24 -4.83 -0.58 -1.26 -4.93 120.64 94.63 2cr5 n GLU 22 Ca 0.07 0.78 -0.20 0.00 -0.42 0.00 0.00 57.16 57.40 2cr5 n GLU 22 Cb 0.54 -5.70 -0.16 0.00 -0.57 0.00 0.00 31.44 25.55 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2cr5 s VAL 23 N -3.22 0.61 0.31 2.62 1.01 -1.23 -0.61 120.40 119.89 2cr5 s VAL 23 Ca 0.48 -0.20 0.11 0.00 0.00 0.00 0.00 61.98 62.36 2cr5 s VAL 23 Cb -0.22 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 2cr5 s VAL 23 CO 0.59 0.23 -0.12 0.68 0.00 0.00 0.00 175.10 176.47 2cr5 s VAL 24 N 0.65 2.50 -0.46 2.92 -7.23 -0.94 -4.94 120.40 112.89 2cr5 s VAL 24 Ca -0.09 -2.25 -0.13 0.00 -1.81 0.00 0.00 61.98 57.69 2cr5 s VAL 24 Cb -0.12 -2.52 0.08 0.00 0.56 0.00 0.00 36.38 34.38 2cr5 s VAL 24 CO 0.01 -0.31 0.36 -0.89 -0.31 0.00 0.00 175.10 173.96 2cr5 s THR 25 N -2.53 4.90 -0.27 5.32 2.01 -1.26 -0.89 115.64 122.92 2cr5 s THR 25 Ca 0.32 -1.23 -0.11 0.00 0.31 0.00 0.00 61.69 60.97 2cr5 s THR 25 Cb -0.02 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 2cr5 s THR 25 CO 0.16 -0.59 0.18 -0.69 -0.69 0.00 0.00 174.62 172.99 2cr5 s VAL 26 N 1.56 5.30 -0.25 3.82 1.01 0.16 -3.44 120.40 128.57 2cr5 s VAL 26 Ca 0.04 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 2cr5 s VAL 26 Cb -0.25 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2cr5 s VAL 26 CO 0.05 0.28 0.03 0.00 0.00 0.00 0.00 175.10 175.46 2cr5 s ALA 27 N 1.55 3.02 -0.26 5.51 0.00 -1.23 -1.08 121.76 129.27 2cr5 s ALA 27 Ca 0.07 -1.20 -0.20 0.00 0.00 0.00 0.00 51.96 50.63 2cr5 s ALA 27 Cb -0.15 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.00 2cr5 s ALA 27 CO 0.09 -0.54 0.62 -0.51 0.00 0.00 0.00 175.76 175.42 2cr5 s LEU 28 N 1.55 4.07 -0.25 0.00 1.43 0.15 -1.37 118.68 124.25 2cr5 s LEU 28 Ca 0.06 0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 53.67 2cr5 s LEU 28 Cb -0.15 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 2cr5 s LEU 28 CO 0.01 -0.37 0.41 -0.13 0.23 0.00 0.00 176.35 176.50 2cr5 s ARG 29 N 2.49 4.07 0.38 1.70 0.52 0.52 -1.10 118.95 127.53 2cr5 s ARG 29 Ca 0.26 0.14 -0.13 0.00 -0.52 0.00 0.00 55.73 55.48 2cr5 s ARG 29 Cb -0.15 -3.62 -0.08 0.00 0.52 0.00 0.00 34.95 31.61 2cr5 s ARG 29 CO 0.09 -0.23 0.77 0.00 0.02 0.00 0.00 175.30 175.95 2cr5 n PRO 31 N -0.90 0.15 0.06 0.00 -0.04 -1.26 -2.29 135.00 130.73 2cr5 n PRO 31 Ca 0.03 0.18 -0.01 0.00 -0.04 0.00 0.00 63.50 63.66 2cr5 n PRO 31 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 2cr5 n PRO 31 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2cr5 h ASN 32 N 0.00 0.00 0.00 3.54 -1.24 -1.94 -3.48 115.58 112.46 2cr5 h ASN 32 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2cr5 h ASN 32 Cb 0.17 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.22 2cr5 h ASN 32 CO 0.00 0.65 0.00 0.61 -1.29 0.00 0.00 177.43 177.40 2cr5 n GLY 33 N 1.35 1.34 3.75 1.57 0.00 -0.97 -5.12 105.19 107.11 2cr5 n GLY 33 Ca -0.05 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2cr5 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr5 s ARG 34 N 0.00 1.91 -0.05 1.61 0.52 -1.26 -4.82 118.95 116.86 2cr5 s ARG 34 Ca 0.00 1.01 -0.02 0.00 -0.52 0.00 0.00 55.73 56.20 2cr5 s ARG 34 Cb 0.00 -1.87 0.04 0.00 0.52 0.00 0.00 34.95 33.64 2cr5 s ARG 34 CO 0.00 -1.84 0.10 0.08 0.02 0.00 0.00 175.30 173.66 2cr5 s VAL 35 N -2.93 -0.11 -0.16 3.52 1.01 -1.26 -1.54 120.40 118.93 2cr5 s VAL 35 Ca 0.62 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.81 2cr5 s VAL 35 Cb -0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2cr5 s VAL 35 CO 0.56 0.11 0.05 -0.76 0.00 0.00 0.00 175.10 175.07 2cr5 s LEU 36 N 1.56 3.78 -0.10 3.92 1.43 -0.26 -4.95 118.68 124.06 2cr5 s LEU 36 Ca -0.04 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2cr5 s LEU 36 Cb -0.12 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 2cr5 s LEU 36 CO -0.04 0.22 0.01 -0.13 0.23 0.00 0.00 176.35 176.64 2cr5 s ARG 37 N 0.07 3.17 -0.11 1.70 0.52 -1.26 0.33 118.95 123.37 2cr5 s ARG 37 Ca 0.05 -0.39 -0.27 0.00 -0.52 0.00 0.00 55.73 54.60 2cr5 s ARG 37 Cb -0.12 -2.87 0.06 0.00 0.52 0.00 0.00 34.95 32.54 2cr5 s ARG 37 CO 0.01 0.63 0.63 0.50 0.02 0.00 0.00 175.30 177.09 2cr5 s ARG 38 N -0.67 0.93 0.33 3.54 3.52 -0.24 -4.98 118.95 121.37 2cr5 s ARG 38 Ca 0.11 0.41 -0.05 0.00 -0.13 0.00 0.00 55.73 56.07 2cr5 s ARG 38 Cb -0.12 0.44 -0.05 0.00 -1.56 0.00 0.00 34.95 33.66 2cr5 s ARG 38 CO 0.02 -0.24 0.60 1.03 -0.81 0.00 0.00 175.30 175.90 2cr5 s ARG 39 N -0.74 3.61 -0.25 5.12 0.52 -1.26 0.37 118.95 126.33 2cr5 s ARG 39 Ca -0.08 0.01 -0.12 0.00 -0.52 0.00 0.00 55.73 55.03 2cr5 s ARG 39 Cb -0.02 -2.59 0.09 0.00 0.52 0.00 0.00 34.95 32.95 2cr5 s ARG 39 CO 0.07 0.13 0.58 -0.06 0.02 0.00 0.00 175.30 176.04 2cr5 s PHE 40 N -2.23 -1.00 1.02 -0.53 0.08 -0.07 -4.65 117.98 110.59 2cr5 s PHE 40 Ca 0.44 1.92 -0.16 0.00 0.12 0.00 0.00 56.93 59.25 2cr5 s PHE 40 Cb -0.10 0.55 0.03 0.00 -0.57 0.00 0.00 43.02 42.93 2cr5 s PHE 40 CO 0.33 -0.52 0.05 1.19 -0.10 0.00 0.00 175.22 176.18 2cr5 n PHE 41 N 4.71 -1.77 0.86 0.36 3.72 -1.26 -2.23 117.46 121.86 2cr5 n PHE 41 Ca -0.17 0.20 0.11 0.00 -0.05 0.00 0.00 57.45 57.54 2cr5 n PHE 41 Cb 0.55 -1.65 0.07 0.00 -0.94 0.00 0.00 39.48 37.51 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -1.25 0.09 0.04 -1.08 5.02 0.22 -4.05 118.16 117.16 2cr5 n LYS 42 Ca 0.03 -0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.26 2cr5 n LYS 42 Cb 0.58 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 2cr5 n LYS 42 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cr5 h SER 43 N 0.00 0.00 -2.91 4.39 0.87 -1.91 -3.26 113.55 110.73 2cr5 h SER 43 Ca 0.00 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 2cr5 h SER 43 Cb 0.57 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 62.76 2cr5 h SER 43 CO 0.00 0.93 -0.42 0.79 -0.53 0.00 0.00 176.83 177.60 2cr5 n TRP 44 N -3.23 -1.30 -4.38 2.24 8.01 -1.26 -4.65 117.44 112.88 2cr5 n TRP 44 Ca -0.05 -0.03 -0.35 0.00 -1.31 0.00 0.00 57.50 55.76 2cr5 n TRP 44 Cb 0.94 -1.66 -0.10 0.00 -2.01 0.00 0.00 31.31 28.49 2cr5 n TRP 44 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 2cr5 s ASN 45 N -2.19 5.15 0.59 -0.99 3.84 -1.26 -1.10 114.94 118.98 2cr5 s ASN 45 Ca 0.64 0.10 0.28 0.00 0.21 0.00 0.00 52.86 54.09 2cr5 s ASN 45 Cb -0.20 -1.50 0.97 0.00 -0.55 0.00 0.00 41.25 39.97 2cr5 s ASN 45 CO 0.66 0.35 1.30 -1.54 -2.79 0.00 0.00 177.10 175.07 2cr5 n SER 46 N 2.36 0.00 0.21 -4.21 3.41 -1.25 -0.18 113.62 113.96 2cr5 n SER 46 Ca -0.18 0.77 -0.16 0.00 -0.26 0.00 0.00 58.87 59.04 2cr5 n SER 46 Cb 0.53 -0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 2cr5 n SER 46 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2cr5 h GLN 47 N 0.00 -0.76 -1.42 4.33 5.75 -1.88 -1.61 115.11 119.52 2cr5 h GLN 47 Ca 0.53 0.05 0.45 0.00 -0.15 0.00 0.00 58.65 59.53 2cr5 h GLN 47 Cb 2.98 0.17 -0.10 0.00 1.07 0.00 0.00 27.48 31.60 2cr5 h GLN 47 CO -0.01 -0.50 0.97 1.55 -2.65 0.00 0.00 178.83 178.19 2cr5 n VAL 48 N -5.49 -0.13 0.01 2.39 3.14 0.75 0.12 118.33 119.13 2cr5 n VAL 48 Ca -0.10 1.45 -0.11 0.00 -2.96 0.00 0.00 64.34 62.63 2cr5 n VAL 48 Cb 0.40 -2.39 -0.05 0.00 -1.06 0.00 0.00 33.84 30.73 2cr5 n VAL 48 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2cr5 h LEU 49 N 0.00 -0.13 -1.73 6.55 3.38 -1.43 -1.66 115.31 120.29 2cr5 h LEU 49 Ca 0.79 0.03 0.33 0.00 0.09 0.00 0.00 57.88 59.12 2cr5 h LEU 49 Cb 2.82 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 43.57 2cr5 h LEU 49 CO -0.24 -0.06 0.81 -0.07 0.09 0.00 0.00 178.44 178.97 2cr5 h LEU 50 N -0.04 0.17 0.16 1.67 3.38 0.89 0.50 115.31 122.03 2cr5 h LEU 50 Ca 0.04 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2cr5 h LEU 50 Cb 0.10 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2cr5 h LEU 50 CO -0.10 0.01 -0.08 -0.78 0.09 0.00 0.00 178.44 177.59 2cr5 h ASP 51 N 0.14 -0.18 -0.48 -0.43 1.82 -1.34 -2.56 116.42 113.39 2cr5 h ASP 51 Ca 0.61 -0.33 0.05 0.00 -0.39 0.00 0.00 57.03 56.96 2cr5 h ASP 51 Cb 2.08 0.05 -0.03 0.00 0.68 0.00 0.00 39.33 42.11 2cr5 h ASP 51 CO -0.14 0.29 0.32 -0.25 -1.61 0.00 0.00 179.24 177.85 2cr5 h TRP 52 N -0.70 0.46 -0.06 0.28 7.01 -0.75 -0.44 115.95 121.75 2cr5 h TRP 52 Ca -0.02 0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.89 2cr5 h TRP 52 Cb 0.50 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 2cr5 h TRP 52 CO 0.07 0.26 -0.43 1.98 -2.79 0.00 0.00 178.44 177.52 2cr5 h MET 53 N 0.47 0.14 0.00 2.65 4.05 -1.05 -2.53 114.93 118.65 2cr5 h MET 53 Ca 0.20 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2cr5 h MET 53 Cb 0.23 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 2cr5 h MET 53 CO -0.05 0.55 -0.13 0.52 0.23 0.00 0.00 176.91 178.03 2cr5 h MET 54 N 0.12 0.00 0.00 0.39 2.86 -0.54 -0.88 114.93 116.88 2cr5 h MET 54 Ca 0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2cr5 h MET 54 Cb 0.82 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 2cr5 h MET 54 CO 0.06 0.00 -0.47 0.87 1.06 0.00 0.00 176.91 178.43 2cr5 h LYS 55 N 0.00 0.00 0.00 1.72 1.79 -0.89 -3.30 116.57 115.90 2cr5 h LYS 55 Ca 0.00 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 2cr5 h LYS 55 Cb 0.85 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.48 2cr5 h LYS 55 CO 0.00 0.01 -1.16 -0.39 -1.08 0.00 0.00 179.45 176.83 2cr5 h VAL 56 N 0.00 0.64 0.00 0.50 -1.51 -1.48 -3.48 116.25 110.92 2cr5 h VAL 56 Ca -0.00 -2.11 0.00 0.00 -1.23 0.00 0.00 66.70 63.36 2cr5 h VAL 56 Cb 1.01 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 32.34 2cr5 h VAL 56 CO 0.00 0.37 0.00 0.61 -1.23 0.00 0.00 177.57 177.32 2cr5 n GLY 57 N 1.35 1.24 3.00 5.19 0.00 -1.21 -5.13 105.19 109.64 2cr5 n GLY 57 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N -1.46 1.55 0.75 1.61 2.02 -0.34 -5.02 117.35 116.46 2cr5 s TYR 58 Ca 0.00 -0.64 -0.07 0.00 -0.37 0.00 0.00 57.07 55.98 2cr5 s TYR 58 Cb 0.00 -1.16 0.10 0.00 -0.40 0.00 0.00 41.96 40.50 2cr5 s TYR 58 CO 0.00 -0.36 1.06 -1.58 -1.57 0.00 0.00 175.55 173.10 2cr5 s HIS 59 N 0.94 2.44 -0.19 2.71 2.46 -1.26 -2.07 115.29 120.32 2cr5 s HIS 59 Ca -0.09 0.29 -0.16 0.00 0.47 0.00 0.00 55.06 55.57 2cr5 s HIS 59 Cb -0.15 -3.32 -0.20 0.00 -0.13 0.00 0.00 32.58 28.77 2cr5 s HIS 59 CO 0.00 -1.68 0.18 0.36 -2.47 0.00 0.00 174.74 171.13 2cr5 n LYS 60 N -3.05 0.63 0.00 2.88 2.85 -1.26 -2.13 118.16 118.07 2cr5 n LYS 60 Ca 0.11 0.44 0.03 0.00 -1.05 0.00 0.00 58.31 57.84 2cr5 n LYS 60 Cb 0.60 -1.70 0.16 0.00 -0.65 0.00 0.00 35.03 33.44 2cr5 n LYS 60 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2cr5 n SER 61 N -4.10 0.00 -0.08 -5.58 2.88 -1.26 -2.93 113.62 102.55 2cr5 n SER 61 Ca -0.35 0.39 -0.16 0.00 -1.33 0.00 0.00 58.87 57.42 2cr5 n SER 61 Cb 0.82 -0.43 -0.06 0.00 -0.75 0.00 0.00 64.21 63.79 2cr5 n SER 61 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2cr5 n LEU 62 N -1.43 1.40 -4.82 2.46 4.77 -1.26 -4.11 117.00 114.01 2cr5 n LEU 62 Ca 0.02 0.15 -0.22 0.00 -0.03 0.00 0.00 56.01 55.94 2cr5 n LEU 62 Cb 0.07 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 2cr5 n LEU 62 CO 0.06 0.39 -0.13 -0.31 -1.33 0.00 0.00 177.39 176.07 2cr5 s TYR 63 N -2.29 2.93 0.36 -1.77 1.51 -0.91 -1.27 117.35 115.92 2cr5 s TYR 63 Ca -0.22 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 2cr5 s TYR 63 Cb 0.08 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 2cr5 s TYR 63 CO 0.29 0.33 0.10 -0.98 -1.11 0.00 0.00 175.55 174.18 2cr5 s ARG 64 N -3.91 1.77 -0.05 -0.62 1.70 0.10 -4.41 118.95 113.54 2cr5 s ARG 64 Ca 0.38 -2.04 0.06 0.00 -0.47 0.00 0.00 55.73 53.65 2cr5 s ARG 64 Cb -0.06 -0.64 -0.02 0.00 -0.57 0.00 0.00 34.95 33.66 2cr5 s ARG 64 CO 0.25 -0.36 -0.21 -0.51 -1.08 0.00 0.00 175.30 173.39 2cr5 s LEU 65 N -3.53 2.32 0.05 -1.89 1.43 -1.26 -2.14 118.68 113.66 2cr5 s LEU 65 Ca 0.30 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2cr5 s LEU 65 Cb 0.05 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 2cr5 s LEU 65 CO 0.15 0.30 -0.04 -0.44 0.23 0.00 0.00 176.35 176.55 2cr5 s SER 66 N -0.47 0.58 0.39 2.29 0.01 -1.03 -1.64 113.70 113.84 2cr5 s SER 66 Ca 0.06 -0.85 -0.01 0.00 1.31 0.00 0.00 55.95 56.46 2cr5 s SER 66 Cb -0.12 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 2cr5 s SER 66 CO 0.01 -0.47 0.62 0.42 0.41 0.00 0.00 173.24 174.23 2cr5 s THR 67 N -3.07 4.97 1.07 1.44 -4.23 -1.09 -1.99 115.64 112.74 2cr5 s THR 67 Ca 0.01 -0.28 -0.14 0.00 -1.18 0.00 0.00 61.69 60.10 2cr5 s THR 67 Cb 0.02 -3.84 0.23 0.00 1.34 0.00 0.00 72.50 70.25 2cr5 s THR 67 CO -0.06 -0.63 1.09 -0.94 -0.54 0.00 0.00 174.62 173.55 2cr5 s SER 68 N -4.07 1.98 -0.25 3.99 1.04 -1.19 -3.59 113.70 111.62 2cr5 s SER 68 Ca 0.43 1.02 -0.43 0.00 0.48 0.00 0.00 55.95 57.44 2cr5 s SER 68 Cb -0.10 -1.57 -0.19 0.00 0.10 0.00 0.00 66.02 64.26 2cr5 s SER 68 CO 0.39 -3.51 1.41 2.22 0.98 0.00 0.00 173.24 174.73 2cr5 n PHE 69 N -4.40 1.38 -2.19 5.02 -1.74 -1.26 -3.39 117.46 110.87 2cr5 n PHE 69 Ca 0.07 1.01 -0.42 0.00 -0.56 0.00 0.00 57.45 57.55 2cr5 n PHE 69 Cb 0.58 -2.21 -0.03 0.00 1.52 0.00 0.00 39.48 39.34 2cr5 n PHE 69 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 2cr5 s PRO 70 N 1.79 4.32 -0.03 3.97 0.04 -1.26 -5.10 135.00 138.73 2cr5 s PRO 70 Ca 0.98 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.75 2cr5 s PRO 70 Cb -1.33 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 29.81 2cr5 s PRO 70 CO 0.68 -0.47 1.46 0.50 0.04 0.00 0.00 177.00 179.22 2cr5 s ARG 71 N 1.48 4.25 -0.08 4.56 3.52 -1.22 -4.79 118.95 126.67 2cr5 s ARG 71 Ca 0.64 2.01 -0.15 0.00 -0.13 0.00 0.00 55.73 58.10 2cr5 s ARG 71 Cb -0.35 -3.69 0.03 0.00 -1.56 0.00 0.00 34.95 29.38 2cr5 s ARG 71 CO 0.29 -0.67 0.38 0.50 -0.81 0.00 0.00 175.30 174.99 2cr5 s ARG 72 N 2.92 0.59 -0.08 5.12 3.52 -1.24 -5.01 118.95 124.77 2cr5 s ARG 72 Ca 0.66 0.21 -0.30 0.00 -0.13 0.00 0.00 55.73 56.17 2cr5 s ARG 72 Cb -0.31 0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.31 2cr5 s ARG 72 CO 0.26 -0.13 1.31 0.00 -0.81 0.00 0.00 175.30 175.94 2cr5 s ALA 73 N -0.54 3.58 0.19 6.12 0.00 -1.26 -2.66 121.76 127.19 2cr5 s ALA 73 Ca -0.06 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.61 2cr5 s ALA 73 Cb -0.04 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 2cr5 s ALA 73 CO 0.03 -0.99 0.17 -0.51 0.00 0.00 0.00 175.76 174.45 2cr5 s LEU 74 N 2.84 3.86 -0.03 0.00 2.01 -0.65 -4.99 118.68 121.72 2cr5 s LEU 74 Ca 0.59 -0.13 0.07 0.00 0.01 0.00 0.00 54.13 54.67 2cr5 s LEU 74 Cb -0.26 -2.45 -0.02 0.00 0.01 0.00 0.00 46.19 43.48 2cr5 s LEU 74 CO 0.21 0.04 -0.23 -1.83 1.01 0.00 0.00 176.35 175.56 2cr5 s GLU 75 N -3.31 1.96 -0.72 1.70 -1.05 -1.26 -4.43 118.70 111.59 2cr5 s GLU 75 Ca 0.32 -0.82 -0.26 0.00 -0.15 0.00 0.00 54.97 54.06 2cr5 s GLU 75 Cb -0.10 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 2cr5 s GLU 75 CO 0.24 0.46 1.62 0.08 0.95 0.00 0.00 175.26 178.61 2cr5 s VAL 76 N -0.44 3.55 0.36 1.83 1.01 -1.26 -4.85 120.40 120.61 2cr5 s VAL 76 Ca 0.06 0.15 0.17 0.00 0.00 0.00 0.00 61.98 62.36 2cr5 s VAL 76 Cb -0.10 -4.41 0.36 0.00 0.00 0.00 0.00 36.38 32.24 2cr5 s VAL 76 CO 0.00 -1.36 1.69 -0.08 0.00 0.00 0.00 175.10 175.36 2cr5 h GLU 77 N 12.34 0.34 0.00 2.72 4.57 -1.98 -3.45 114.58 129.13 2cr5 h GLU 77 Ca -0.20 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2cr5 h GLU 77 Cb 1.09 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 2cr5 h GLU 77 CO 1.26 0.22 0.00 0.41 -1.18 0.00 0.00 179.01 179.72 2cr5 n GLY 78 N -1.37 1.75 0.13 1.92 0.00 -1.26 -4.57 105.19 101.79 2cr5 n GLY 78 Ca 0.30 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 2cr5 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr5 n GLY 79 N 0.00 -0.46 3.79 -0.02 0.00 -1.26 -4.82 105.19 102.42 2cr5 n GLY 79 Ca 0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2cr5 n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 s SER 80 N -6.48 6.52 1.08 1.61 0.01 -1.26 -5.04 113.70 110.14 2cr5 s SER 80 Ca -0.30 2.01 -0.18 0.00 1.31 0.00 0.00 55.95 58.79 2cr5 s SER 80 Cb 0.08 -2.58 0.25 0.00 0.21 0.00 0.00 66.02 63.99 2cr5 s SER 80 CO 0.65 -0.66 1.26 -0.94 0.41 0.00 0.00 173.24 173.96 2cr5 s SER 81 N -1.74 2.09 0.15 2.44 1.04 -1.26 -3.97 113.70 112.45 2cr5 s SER 81 Ca 0.63 0.33 -0.17 0.00 0.48 0.00 0.00 55.95 57.21 2cr5 s SER 81 Cb -0.20 -0.38 0.01 0.00 0.10 0.00 0.00 66.02 65.55 2cr5 s SER 81 CO 0.25 -3.37 1.79 -0.07 0.98 0.00 0.00 173.24 172.82 2cr5 h LEU 82 N -2.08 0.34 -0.67 2.42 3.38 -1.25 -2.03 115.31 115.41 2cr5 h LEU 82 Ca -0.44 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.39 2cr5 h LEU 82 Cb 1.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2cr5 h LEU 82 CO 0.33 0.25 -0.57 -0.08 0.09 0.00 0.00 178.44 178.45 2cr5 h GLU 83 N 0.43 0.27 -0.29 1.13 4.81 -1.72 0.33 114.58 119.54 2cr5 h GLU 83 Ca 0.13 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2cr5 h GLU 83 Cb -0.01 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2cr5 h GLU 83 CO -0.06 0.77 0.13 -0.44 -0.73 0.00 0.00 179.01 178.69 2cr5 h ASP 84 N 0.21 0.35 1.36 1.04 3.32 -1.77 -1.62 116.42 119.32 2cr5 h ASP 84 Ca -0.00 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2cr5 h ASP 84 Cb 1.07 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2cr5 h ASP 84 CO 0.09 0.31 -0.65 0.16 -1.72 0.00 0.00 179.24 177.43 2cr5 h ILE 85 N 0.40 0.19 0.00 0.35 3.07 -1.23 -3.47 117.51 116.81 2cr5 h ILE 85 Ca 0.10 -1.31 0.00 0.00 1.55 0.00 0.00 64.86 65.21 2cr5 h ILE 85 Cb 0.05 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 2cr5 h ILE 85 CO -0.01 0.11 0.00 0.61 -1.05 0.00 0.00 178.15 177.80 2cr5 n GLY 86 N 1.19 0.97 2.62 0.16 0.00 -0.61 -5.08 105.19 104.44 2cr5 n GLY 86 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 1.85 0.03 -0.61 2.08 0.07 -4.80 119.36 117.99 2cr5 n ILE 87 Ca 0.00 -4.85 0.09 0.00 0.56 0.00 0.00 62.75 58.55 2cr5 n ILE 87 Cb 0.00 -0.81 -0.09 0.00 -0.75 0.00 0.00 39.64 37.99 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2cr5 n THR 88 N -0.15 0.46 -4.24 1.39 -2.24 -1.26 -4.16 114.28 104.07 2cr5 n THR 88 Ca 0.28 -0.56 -0.17 0.00 -2.27 0.00 0.00 64.05 61.33 2cr5 n THR 88 Cb 0.58 -0.24 -0.11 0.00 -2.10 0.00 0.00 70.33 68.46 2cr5 n THR 88 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2cr5 s VAL 89 N -3.33 1.32 -0.45 2.28 -7.23 -1.26 -4.90 120.40 106.82 2cr5 s VAL 89 Ca -0.05 -1.77 -0.42 0.00 -1.81 0.00 0.00 61.98 57.94 2cr5 s VAL 89 Cb 0.11 -1.58 -0.18 0.00 0.56 0.00 0.00 36.38 35.29 2cr5 s VAL 89 CO 0.85 -0.46 1.63 -0.90 -0.31 0.00 0.00 175.10 175.91 2cr5 n ASP 90 N 0.42 0.94 -4.05 4.85 5.68 -1.26 -4.88 116.55 118.25 2cr5 n ASP 90 Ca -0.15 0.91 -0.23 0.00 -0.50 0.00 0.00 54.79 54.82 2cr5 n ASP 90 Cb 0.58 -0.80 -0.16 0.00 -1.14 0.00 0.00 41.12 39.59 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2cr5 s THR 91 N 3.72 1.06 -0.26 2.12 2.01 -1.22 -4.99 115.64 118.09 2cr5 s THR 91 Ca 1.00 -0.50 -0.15 0.00 0.31 0.00 0.00 61.69 62.35 2cr5 s THR 91 Cb -1.36 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 2cr5 s THR 91 CO 0.69 0.32 0.39 -0.69 -0.69 0.00 0.00 174.62 174.64 2cr5 s VAL 92 N 0.24 5.17 -0.09 3.82 1.01 -1.26 -3.51 120.40 125.77 2cr5 s VAL 92 Ca -0.06 0.63 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 2cr5 s VAL 92 Cb -0.11 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2cr5 s VAL 92 CO 0.02 0.16 0.02 -0.76 0.00 0.00 0.00 175.10 174.54 2cr5 s LEU 93 N 1.97 3.68 0.00 3.92 1.43 -0.47 -3.16 118.68 126.06 2cr5 s LEU 93 Ca 0.16 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.48 2cr5 s LEU 93 Cb -0.16 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2cr5 s LEU 93 CO 0.09 0.37 -0.10 0.20 0.23 0.00 0.00 176.35 177.15 2cr5 s ASN 94 N -0.84 4.40 -0.49 2.29 0.01 -0.84 -0.36 114.94 119.12 2cr5 s ASN 94 Ca 0.13 -0.20 -0.16 0.00 -0.71 0.00 0.00 52.86 51.91 2cr5 s ASN 94 Cb -0.11 -0.97 0.07 0.00 0.41 0.00 0.00 41.25 40.65 2cr5 s ASN 94 CO 0.02 0.29 0.46 -0.69 -1.51 0.00 0.00 177.10 175.67 2cr5 s VAL 95 N -0.95 5.15 0.26 1.60 1.01 0.08 -2.46 120.40 125.09 2cr5 s VAL 95 Ca 0.16 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.23 2cr5 s VAL 95 Cb -0.11 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 2cr5 s VAL 95 CO 0.06 -0.66 0.32 -1.61 0.00 0.00 0.00 175.10 173.21 2cr5 s GLU 96 N 1.87 3.19 -0.23 2.72 8.01 -0.91 -4.07 118.70 129.27 2cr5 s GLU 96 Ca 0.06 -0.92 -0.12 0.00 0.01 0.00 0.00 54.97 54.00 2cr5 s GLU 96 Cb -0.24 -2.75 -0.05 0.00 -4.31 0.00 0.00 34.13 26.79 2cr5 s GLU 96 CO 0.07 0.36 0.24 -1.21 0.01 0.00 0.00 175.26 174.73 2cr5 s GLU 97 N -3.96 4.09 1.12 1.61 2.02 -1.26 0.02 118.70 122.35 2cr5 s GLU 97 Ca 0.35 -0.12 -0.12 0.00 0.02 0.00 0.00 54.97 55.11 2cr5 s GLU 97 Cb -0.08 -3.55 0.26 0.00 0.10 0.00 0.00 34.13 30.85 2cr5 s GLU 97 CO 0.28 -0.01 1.05 0.15 0.02 0.00 0.00 175.26 176.75 2cr5 s LYS 98 N 1.24 -0.62 -0.27 1.61 1.02 -0.40 -4.94 119.74 117.38 2cr5 s LYS 98 Ca 0.11 1.03 -0.08 0.00 0.02 0.00 0.00 55.97 57.06 2cr5 s LYS 98 Cb -0.14 -1.57 -0.14 0.00 -0.52 0.00 0.00 37.83 35.46 2cr5 s LYS 98 CO 0.06 -3.58 -0.31 -1.91 -0.92 0.00 0.00 175.35 168.69 2cr5 n GLU 99 N -4.84 0.61 -4.31 1.68 2.13 -1.26 -5.01 120.64 109.64 2cr5 n GLU 99 Ca 0.05 0.22 -0.25 0.00 0.66 0.00 0.00 57.16 57.84 2cr5 n GLU 99 Cb 0.53 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.62 2cr5 n GLU 99 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 2cr5 s GLN 100 N -2.51 1.17 0.36 5.31 0.74 -1.26 -5.10 119.66 118.37 2cr5 s GLN 100 Ca -0.37 -1.18 -0.15 0.00 0.05 0.00 0.00 55.36 53.70 2cr5 s GLN 100 Cb 0.13 -1.46 -0.12 0.00 1.10 0.00 0.00 33.01 32.65 2cr5 s GLN 100 CO 0.53 0.34 -0.03 0.43 -0.55 0.00 0.00 175.29 176.01 2cr5 n SER 101 N 1.08 -2.64 -0.07 6.67 7.64 -1.26 -4.95 113.62 120.10 2cr5 n SER 101 Ca -0.19 0.57 -0.07 0.00 1.01 0.00 0.00 58.87 60.19 2cr5 n SER 101 Cb 0.53 -0.68 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 2cr5 n SER 101 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cr5 n SER 102 N 1.92 1.52 -4.20 6.43 2.88 -1.26 -4.98 113.62 115.93 2cr5 n SER 102 Ca 0.07 0.26 -0.36 0.00 -1.33 0.00 0.00 58.87 57.51 2cr5 n SER 102 Cb 0.35 -0.67 -0.03 0.00 -0.75 0.00 0.00 64.21 63.11 2cr5 n SER 102 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cr5 n GLN 103 N -4.03 -2.77 -3.66 -1.46 1.13 -1.26 -4.89 117.38 100.44 2cr5 n GLN 103 Ca -0.11 0.33 -0.38 0.00 -1.94 0.00 0.00 57.00 54.91 2cr5 n GLN 103 Cb 0.39 -5.04 -0.09 0.00 0.11 0.00 0.00 30.24 25.62 2cr5 n GLN 103 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2cr5 s SER 104 N -3.21 5.47 0.00 1.08 0.01 -1.26 -5.01 113.70 110.78 2cr5 s SER 104 Ca 0.73 -2.68 0.00 0.00 1.31 0.00 0.00 55.95 55.32 2cr5 s SER 104 Cb -0.41 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2cr5 s SER 104 CO 0.90 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 174.72 2cr5 n GLY 105 N 3.77 1.67 3.66 3.44 0.00 -1.26 -5.07 105.19 111.40 2cr5 n GLY 105 Ca 0.06 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 2cr5 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr5 s PRO 106 N 0.99 4.17 0.06 1.61 0.04 -1.26 -5.01 135.00 135.60 2cr5 s PRO 106 Ca 0.00 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.06 2cr5 s PRO 106 Cb 0.00 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.58 2cr5 s PRO 106 CO 0.00 -0.83 -0.01 -1.12 0.04 0.00 0.00 177.00 175.08 2cr5 s SER 107 N 2.96 5.01 -0.02 6.66 0.01 -1.26 -5.12 113.70 121.93 2cr5 s SER 107 Ca 0.67 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2cr5 s SER 107 Cb -0.29 -1.22 0.02 0.00 0.21 0.00 0.00 66.02 64.74 2cr5 s SER 107 CO 0.25 0.22 0.01 -0.55 0.41 0.00 0.00 173.24 173.57 2cr5 s SER 108 N -2.01 0.31 0.00 2.44 0.15 -1.26 -5.31 113.70 108.02 2cr5 s SER 108 Ca 0.23 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.87 2cr5 s SER 108 Cb -0.12 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 2cr5 s SER 108 CO 0.15 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.11